bluuebunny/crossref_metadata_2025 huggingface dataset:
Tuning the selectivity of benzene hydroalkylation over PdZn/HBeta catalysts: identification of lattice contraction and electronic properties
Authors: Feng Jie , Liu Qiaoyun , Li Haojie , Song Zhongxian , Dong Lin , Zhao Shufang , Kim Young Dok , Liu Zhongyi , Peng Zhikun
Published: January 2023

The robust performance of Pd14Zn/HBeta is originated from the lattice contraction and electron-rich surface of Pd modulated by Zn doping.
Synthesis and characterization of single-phase Tb3+/Eu3+ doped metal–organic framework phosphors for warm light WLED applications
Authors: Wang Jiaoying , Tai Minghui , Yu Zhikui , Kang Shuo , Jin Dailai , Wang Longcheng
Published: January 2023

A novel single-phase luminescent material, Ln@bio-MOF-1 (Ln: Tb3+ and Eu3+), was synthesized with a facile hydrothermal method.
C–H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes
Authors: Watson Lachlan J. , Hill Anthony F.
Published: January 2023

The pro-ligands 1,8-bis(di-R-phosphinomethyl)-2,3-dihydroperimidine (RH2Pm, R = phenyl, cyclohexyl) react with [RhCl(CE)(PPh3)2] (E = O, S) to afford the bimetallic complexes [RhCl(CE)(μ-RH2Pm)]2(E = O, S).
Spontaneous gas–solid reaction on sulfide electrolytes for high-performance all-solid-state batteries
Authors: Zhang Xiao , Li Xiaoyun , Weng Suting , Wu Siyuan , Liu Qiuyan , Cao Mengyan , Li Yejing , Wang Zhenyu , Zhu Lingyun , Xiao Ruijuan , Su Dong , Yu Xiqian , Li Hong , Chen Liquan , Wang Zhaoxiang , Wang Xuefeng
Published: January 2023

Sulfide solid electrolytes modified by CO2/O2 deliver enhanced moisture resistance and superior cathodic interfacial stability.
Switching on/off molybdenum nitride catalytic activity in ammonia synthesis through modulating metal–support interaction
Authors: Sfeir Amanda , Teles Camila A. , Marinova Maya , Vezin Hérve , Dacquin Jean-Philippe , Löfberg Axel , Laassiri Said , Royer Sébastien
Published: January 2023

An elegant approach to finely tune the structural, physico-chemical, redox and electronic properties of the active site by modulating the interaction between Mo nanoparticles and their support.
Organoids/organs-on-a-chip: new frontiers of intestinal pathophysiological models
Authors: Wu Lei , Ai Yongjian , Xie Ruoxiao , Xiong Jialiang , Wang Yu , Liang Qionglin
Published: January 2023

Organoids/organs-on-a-chip contribute to mimicking intestinal surface topography, microenvironment, and various interactions, providing new frontiers of intestinal pathophysiological models.
New strategy for developing deep blue TADF materials with narrow emission and CIEy < 0.06 employing host materials as donors
Authors: Wang Da-Hao , Yao Jing-Feng , Li Hao-Ze , Li Gui-Zhen , Xie Feng-Ming , Li Yan-Qing , Hu Ying-Yuan , Tang Jian-Xin , Zhao Xin
Published: January 2023

DCBTRZ and PPCTRZ based devices achieved narrow deep blue emission with CIEys of 0.059/0.063 and FWHMs of 56/54 nm, respectively.
A one-pot solid-state synthesis of MgO nanoparticles and their catalytic, biological, and electrochemical sensor activities: hexaaquamagnesium(ii) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) as a tool
Authors: Balakrishnan Prabha Devi , Arunadevi Natarajan , Rath Nigam P. , Kanchana Ponnusamy , Premkumar Thathan
Published: January 2023

MgO nanoparticles produced from a solid-state precursor, hexaaquamagnesium(ii) bis(6-oxo-1,6-dihydropyridine-3-carboxylate), showed proficient catalytic activity and enhanced biological and electrochemical sensor activities.
Fate of TiO2nanoparticles in the environment: a review on the transport and retention behavior in the soil compartment
Authors: Sharma Pankaj Kumar , Dhiman Anchal , Bharti  , Anand Shalini , Rai Pramod Kumar
Published: January 2023

The present review describes the effects of complex environmental factors on the fate and behaviour of TiO2nanoparticles in the soil compartment.
Effective paracetamol sensor activity, thermal barrier coating (TBC), and UV-light-driven photocatalytic studies of ZrxO2:Mg2+(1−x) nanoparticles
Authors: Surendra B. S. , Gurushantha K. , Anantharaju K. S. , Rudresh M. , Basavaraju N. , Raghavendra N. , Jahagirdar A. A. , Somashekar H. M. , Murthy H. C. Ananda
Published: January 2023

Herein, we report the synthesis of magnesia co-stabilized zirconia (ZrO2:Mg2+) NPs by a green (Helianthus annuus plant leaves extract) combustion route and their tailored characteristics for thermal barrier coating (TBC) applications.
In situ synthesis of a hierarchical MIL-100(Fe)-modified nanofiber membrane for the efficient removal of levofloxacin
Authors: Yang Tianyi , Teng Yakun , Wang Jing , Jia Shushu , Su Yuqi , Li Xiang , Li Lijuan , Wang Ce
Published: January 2023

MIL-100(Fe)-modified nanofiber membrane are prospective adsorbents for the removal of drugs from sewage.
Femtosecond optical orientation triggering magnetization precession in epitaxial EuO films
Authors: Kats Vladimir N. , Shelukhin Leonid A. , Usachev Pavel A. , Averyanov Dmitry V. , Karateev Igor A. , Parfenov Oleg E. , Taldenkov Alexander N. , Tokmachev Andrey M. , Storchak Vyacheslav G. , Pavlov Victor V.
Published: January 2023

Light-induced magnetization response unfolding on a temporal scale down to femtoseconds presents a way to convey information via spin manipulation.
Unraveling the impact of nano-scaling on silicon field-effect transistors for the detection of single-molecules
Authors: Santermans Sybren , Hellings Geert , Heyns Marc , Van Roy Willem , Martens Koen
Published: January 2023

Electrolyte-gated silicon field-effect transistors (FETs) capable of detecting single molecules could enable high-throughput molecular sensing chips to advance, for example, genomics or proteomics.
Enhanced triboelectric properties of Eu2O3-doped BaTiO3/PVDF-HFP nanofibers
Authors: Wu Xin-Xian , Zhang Jun-Jie , Lee Chia-Hsien , Lin Meng-Fang
Published: January 2023

The developed Eu2O3–BaTiO3/PVDF-HFP electrospun-nanofiber TENGs could be used not only as a self-powering device, but also as a sensor.
Highly effective transfer of micro-LED pixels to the intermediate and rigid substrate with weak and tunable adhesion by thiol modification
Authors: Pan Kui , Sun Jie , Lin Chang , Deng Liying , Li Xiao , Mao Zuodong , Yang Tianxi , Huang Zhonghang , Li Yang , Nie Junyang , Guo Tailiang , Yan Qun
Published: January 2023

Transfer printing of micro-LED pixels from flexible SWP tape to a less adhesive thiol-modified rigid substrate is assisted by using a PS sacrificial layer. This may be of essential value in mass transfer technology for display applications.
Gas phase fabrication of morphology-controlled ITO nanoparticles and their assembled conductive films
Authors: Jiang Yilun , Chen Ji'an , Du Zhengyang , Liu Fei , Qin Yuyuan , Mao Peng , Han Min
Published: January 2023

Multi-branch ITO nanoparticles are controllably fabricated in the gas phase and used to deposit highly conductive transparent ITO nanoparticle films with mild thermal annealing.
Enhanced spin–orbit torque and field-free switching in Au/TMDs/Ni hybrid structures
Authors: Luo Yi , Chen Qian , Li Rongxin , Wang Yipeng , Lv Weiming , Zhang Baoshun , Fan Yaming , Wu Hao , Zeng Zhongming
Published: January 2023

This paper explores an effective strategy to enhance the SOT efficiency and achieve field-free magnetization switching, by employing two-dimensional transition metal dichalcogenide (2D TMD) interfaces to conventional magnetic heterostructures.
Reaction stoichiometry directs the architecture of trimetallic nanostructures produced via galvanic replacement
Authors: Kar Nabojit , McCoy Maximilian , Zhan Xun , Wolfe Joshua , Wang Zhiyu , Skrabalak Sara E.
Published: January 2023

Galvanic replacement (GR) of bimetallic nanoparticles (NPs) provides a versatile route to interesting trimetallic nanostructures, with the reaction stoichiometry governing the overall architecture of the product NPs.
Interface-confined synthesis of a nonplanar redox-active covalent organic framework film for synaptic memristors
Authors: Wu Dongchuang , Zhang Qiongshan , Wang Xiaoyang , Zhang Bin
Published: January 2023

A nonplanar redox-active COF film (TFPA-TAPA film) is fabricatedviainterfacial dynamic covalent chemistry. Biological synaptic functions and associative learning processes were successfully simulated by using the Al/TFPA-TAPA/ITO memristor.
Effect of calcium doping on the electrocatalytic activity of the Bi1−xCaxFeO3−δ oxygen electrode for solid oxide fuel cells
Authors: Wang Liang , Xia Tian , Sun Liping , Li Qiang , Zhao Hui
Published: January 2023

The perovskite oxides Bi1−xCaxFeO3−δ exhibit good structure stability and excellent electrocatalytic activity for the oxygen reduction reaction, making them promising cathode electrocatalysts for SOFCs.
Wettability of net C, net W and net Y: a molecular dynamics simulation study
Authors: Hamzei Amin , Hajiabadi Hossein , Rad Morteza Torabi
Published: January 2023

The experimental synthesis of biphenylene, a two-dimensional carbon allotrope, theoretically predicted in 1997, took place in 2021.
Disentangling global and local ring currents
Authors: Bradley David , Jirásek Michael , Anderson Harry L. , Peeks Martin D.
Published: January 2023

Aromatic or antiaromatic ring currents – why not both? We use experimental NMR chemical shifts to identify both local and global ring currents in π-conjugated molecules.
A data-driven interpretation of the stability of organic molecular crystals
Authors: Cersonsky Rose K. , Pakhnova Maria , Engel Edgar A. , Ceriotti Michele
Published: January 2023

Due to the subtle balance of molecular interactions, predicting the stability of molecular crystals is a non-trivial scientific problem. Physically-motivated machine learning models can not only “rediscover” the maxims of crystal engineering, but also guide crystal design.
Electric fields drive bond homolysis
Authors: Zhang Boyuan , Schaack Cedric , Prindle Claudia R. , Vo Ethan A. , Aziz Miriam , Steigerwald Michael L. , Berkelbach Timothy C. , Nuckolls Colin , Venkataraman Latha
Published: January 2023

We demonstrate that electric fields can homolytically cleave a peroxide bond in different solvents with a rate that is proportional to the solvent dielectric constant.
C(sp3)–H cyanation by a formal copper(iii) cyanide complex
Authors: Bower Jamey K. , Reese Maxwell S. , Mazin Ilia M. , Zarnitsa Lina M. , Cypcar Andrew D. , Moore Curtis E. , Sokolov Alexander Yu. , Zhang Shiyu
Published: January 2023

A formal copper(iii) cyanide complex and its C–H cyanation reactivity are reported. The redox potentials of substrates, instead of C–H bond dissociation energies, were found to be the key determinant of the rates of PCET.
A review on tailoring the corrosion and oxidation properties of MoS2-based coatings
Authors: Joseph Antony , Vijayan Athira S. , Shebeeb C. Muhammed , Akshay K. S. , John Mathew Kevin P. , Sajith V.
Published: January 2023

This review discusses the corrosion and oxidation properties of MoS2and MoS2based coatings, their effect on the tribological properties of MoS2, and the recent progress in tailoring the corrosion resistance properties of MoS2based coatings.
Original exploration of transition metal single-atom catalysts for NOxreduction
Authors: Zhu Hongjian , Wang Rui
Published: January 2023

Various atomically dispersed transition metal-coordinated graphite carbon materials are, for the first time, used for NOxreduction. Proper K-doping promotes NOxconversion and N2selectivity.
Nanogels co-loading paclitaxel and curcumin prepared in situ through photopolymerization at 532 nm for synergistically suppressing breast tumors
Authors: Song Xiaoyan , Feng Zujian , Peng Yuanyuan , Yu Siyuan , Du Xinjing , Huang Pingsheng , Wang Weiwei , Xing Jinfeng
Published: January 2023

Preparation and antitumor application of nanogels are presented. This study provides a promising strategy to improve the synergistic antitumor effect of drugs.
In situ engineering of Au–Ag alloy embedded PEDOT nanohybrids at a solvent/non-solvent interface for the electrochemical enzyme-free detection of histamine
Authors: Puthiyottil Nesleena , Kanakkayil Sameena , Pillai Neeraja P. , Rajan Anju , Parambath Sijina Kinattingara , Krishnamurthy Rajanikant Golgodu , Chatanathodi Raghu , Menamparambath Mini Mol
Published: January 2023

In situ polymerization at a bi-solvent interface produced Au–Ag alloy embedded PEDOT nanohybrids for non-enzymatic histamine detection. The composite demonstrated practical viability by detecting histamine produced by sub-cultured human neural cells.
Layered double hydroxide-based nanozyme for NO-boost multi-enzyme dynamic therapy with tumor specificity
Authors: Yang Xueting , Cao Xin , Fu Ye , Lu Jun , Ma Xiaotong , Li Ran , Guan Shanyue , Zhou Shuyun , Qu Xiaozhong
Published: January 2023

The development of dual chemodynamic therapy and NO therapy can significantly improve the efficiency of cancer treatment.
Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
Authors: Higgins A. M. , Gutfreund P. , Italia V. , Hynes E. L.
Published: January 2023

Following annealing at sufficiently high temperatures, well-controlled thin-film bilayers exhibit thermal changes in phase-composition, phase-volume and interfacial roughness that are reversible, irrespective of the starting layer compositions.
All-fused-ring small molecule acceptors with near-infrared absorption
Authors: Zhu Xiaoyu , Zhang Yongqian , Xie Bomin , Miao Junhui , Ma Wei , Liu Jun , Wang Lixiang
Published: January 2023

The all-fused-ring molecules with near-infrared absorption and high stability are developed. The organic solar cells by using these molecules as electron acceptors exhibit a PCE of 11.4% and high device stability.
Photocontrollable liquid-crystalline block copolymers: design, photo-directed self-assembly and applications
Authors: Cai Feng , Yang Bowen , Yu Mingming , Zeng Songshan , Yu Haifeng
Published: January 2023

Recent progress in various photocontrollable liquid-crystalline block copolymers, including their photoresponsive mechanisms, alignment techniques of microphase-separated nanodomains, outstanding properties and applications is shown.
Reactivity of a quasi-four-coordinate butylmagnesium cation
Authors: Ankur  , Sharma Deepti , Andrews Alex P. , Venugopal Ajay
Published: January 2023

We present the first straightforward synthesis of a cationic magnesium hydride from an alkyl magnesium cation using pinacolborane/phenyl silane.
Solid state synthesis of a RuNiO3 perovskite nanomaterial as an electro-catalyst for direct alcohol (ethanol, methanol and ethylene glycol) fuel cell applications
Authors: Prince Aksha Gilbert , Durai Lignesh , Badhulika Sushmee
Published: January 2023

A novel solid state synthesized electrocatalyst RuNiO3 exhibiting high electrocatalytic activity towards ethanol, methanol and ethylene glycol oxidation reactions.
On hardware aging for practical RIS‐assisted communication systems
Authors: Wang Ke , Lam Chan‐Tong , Ng Benjamin K.
Published: January 2023

In this letter, reconfigurable intelligent surface (RIS) is studied from an electronic device reliability perspective. Runtimes and lifetimes of the RIS are introduced for the first time as impairment factors that degrade the system performance. In particular, Weibull distributions are used to model the runtime‐related hardware aging (HA) effect on the RIS at first. Then, a practical RIS‐assisted system model with phase‐dependent amplitude variations, residual hardware impairments, and HA effects, is obtained. Besides, closed‐form expressions of the received signal power and spectral efficiency for the proposed system are also derived. Analytical and numerical evaluations reveal that the HA effect on the RIS is the major impairment factor when the runtime is beyond the lifetime of the RIS.
Port‐assignment modelling of anti‐parallel Schottky barrier diode and 0.3‐THz sub‐harmonic mixer design
Authors: Kim Young‐Ho , Shin Jun‐Hwan , Park Dong Woo , Lee Il‐Min , Park Kyung Hyun
Published: January 2023

This letter presents a new port‐assignment model of an anti‐parallel Schottky barrier diode (AP‐SBD) and a 0.3‐THz sub‐harmonic mixer (SHM) as the application design. Using the proposed method, the AP‐SBD is accurately modelled compared to conventional modelling methods. Because the characteristics of an AP‐SBD have the greatest impact on mixer performance, an accurate modelling method for AP‐SBD helps design SHMs with good performance. To verify the proposed modelling in the terahertz region, a 0.3‐THz SHM based on the modelled AP‐SBD is designed and assembled. The measurement result reveals that the optimal double‐sideband (DSB) conversion loss of the mixer is 6.7 to 10.1 dB within 279 to 318 GHz when the fixed local oscillator (LO) signal is 6.4 dBm at 152 GHz. All measurement results confirm that the proposed methodology is concise and feasible for the design of terahertz SHMs.
Elasto-hydrodynamic lubrication analysis of a porous misaligned crankshaft bearing operating with nanolubricants
Authors: Hamel Reda , Lahmar Mustapha , Bou-Saïd Benyebka
Published: January 2023

In this paper, the combined effects of the characteristic size and concentration of inorganic fullerene-like tungsten disulphide nanoparticles (IF-WS2 NPs) or molybdenum disulphide nanoparticles (IF-MoS2 NPs) on the nonlinear dynamic behaviour of a gasoline engine crankshaft bearing subject to an arbitrary force torsor (effective applied force and moment vector) are theoretically and numerically investigated using the V. K. Stokes micro-continuum theory. These NPs are the most common additives for lubrication purposes due to their excellent tribological characteristics along with their effect on reducing friction and wear. It is assumed that the journal (crankshaft) currently made of a forged steel is rigid and the main bearing consists of a thin poroelastic liner made of low elastic modulus materials like Babbitt metals fixed in a stiff housing as defined by ASTM B23-00. The Krieger-Dougherty law is included in the proposed EHD model to account for the viscosity variation with respect to the volume fraction of nanoparticles dispersed in the base lubricant. On the other hand, the characteristic size of nanomaterials is introduced by a new material entity, denoted l, which is responsible for a couple-stress property. The Reynolds equation is derived in transient conditions and modified to account for the size of nanoparticles and the bearing-liner permeability property. For an arbitrary force torsor, the hydrodynamic pressure distribution, the squeeze film velocities, and the misalignment angular velocities are determined simultaneously by solving the discretized Reynolds equation and the equilibrium equations with the damped Newton-Raphson iterative method at each crank angle step. The crankshaft center trajectories in three sections of the main journal axis as well as the misalignment angles are deduced from the squeeze film velocities and the misalignment angular velocities by means of a Runge-Kutta scheme. According to the obtained results, the combined effects of the size and concentration of fullerene-like nanoparticles on the dynamic behavior of a compliant dynamically loaded crankshaft bearing operating with dynamic misalignment are significant and cannot be overlooked.
Biopsie musculaire en période néonatale et périnatale
Authors: Romero Norma Beatriz , Thao Bui Mai
Published: January 2023

Neuromuscular diseases with neonatal or perinatal onset are usually very severe. Their diagnosis requires rigorous studies in order to determine the cause of the disease and thus help to establish the vital prognosis. Neonatal muscle biopsy studies are driven by the extreme severity of the clinical picture. The aim of this analysis is to search for or validate a precise diagnosis and etiology. Numerous genes are at the origin of these severe neonatal myopathies, for some of them anomalies of a specific gene could be identified.
Pediatric Multiple Sclerosis—Experience of a Tertiary Care Center
Authors: Martins Cecília , Samões Raquel , Silva Ana Martins , Santos Ernestina , Figueiroa Sónia
Published: January 2023

Background Pediatric-onset multiple sclerosis (POMS) accounts for 3 to 10% of all MS diagnoses. POMS is usually characterized by prominent disease activity, and patients are at higher risk of developing physical disability and cognitive impairment.

Objective This article characterizes a cohort of POMS patients followed at the pediatric neurology unit of a Portuguese tertiary hospital.

Methods Retrospective observational study. Clinical records of all patients with POMS between 2011 and 2020 were revised.

Results A total of 21 patients, with a female:male ratio of 11:10 and a mean age of onset of 14.8 years were included. Clinical manifestations at presentation included myelitis in eight patients (two with associated brainstem syndrome), optic neuritis in six (one with associated cerebellar syndrome), supratentorial symptoms in four, and isolated brainstem syndrome in two. Twenty patients had oligoclonal immunoglobulin G bands in cerebrospinal fluid. Supra- and infratentorial involvement was identified in the first brain magnetic resonance imaging of nine patients. Initial relapses were treated with intravenous steroids in 19 patients. The mean time for diagnosis was 2.8 months. Eleven patients were on first-line treatment (nine on β-interferon, two on teriflunomide) and 10 on second-line treatment (six on natalizumab, three on fingolimod, one on ocrelizumab). The mean annual relapse rate was 0.29 (range, 0.01–3), and the median Expanded Disability Status Scale was 1. Four patients reported learning disabilities and/or cognitive deficits.

Conclusion About half of patients in this cohort were on second-line disease-modifying treatment, with 19% showing cognitive impairment. Efforts to establish an early diagnosis are crucial to improving these patients' outcomes.
Clinical Features of COVID-19 and Differentiation from Other Causes of CAP
Authors: Gao Catherine A. , Pickens Chiagozie I. , Morales-Nebreda Luisa , Wunderink Richard G.
Published: January 2023

Community-acquired pneumonia (CAP) is a significant cause of morbidity and mortality, one of the most common reasons for infection-related death worldwide. Causes of CAP include numerous viral, bacterial, and fungal pathogens, though frequently no specific organism is found. Beginning in 2019, the COVID-19 pandemic has caused incredible morbidity and mortality. COVID-19 has many features typical of CAP such as fever, respiratory distress, and cough, and can be difficult to distinguish from other types of CAP. Here, we highlight unique clinical features of COVID-19 pneumonia such as olfactory and gustatory dysfunction, lymphopenia, and distinct imaging appearance.
Risk Factors Associated with Postoperative CSF Leak in Extrasellar Tumors
Authors: Zhang Huan , Peeters Sophie , Vengorivich Gennadiy , Antoury Layal , Park Ki Wan , Wells Christine , Suh Jeffrey D. , Lee Jivianne T. , Heaney Anthony , Bergsneider Marvin , Kim Won , Wang Marilene B.
Published: January 2023

Objective While postoperative cerebrospinal fluid (CSF) leak rates of pituitary tumors have been frequently studied, there are fewer studies examining postoperative CSF leak rates for extrasellar tumors. The purpose of this study was to identify risk factors for the development of postoperative CSF leak in patients undergoing endoscopic surgery for extrasellar tumors.

Methods A retrospective chart review was done for patients who underwent endoscopic resection for extrasellar tumors between 2008 and 2020. Age, gender, tumor type, tumor location, tumor size, reconstruction technique, medical comorbidities, and other potential risk factors were identified. Data was analyzed to identify significant risk factors for development of postoperative CSF leak.

Results There were 100 patients with extrasellar tumors who developed intraoperative CSF leaks. Seventeen patients (17%) developed postoperative CSF leaks. Leaks occurred at a median of 2 days following surgery (range 0–34 days). Clival tumors had a significantly higher incidence of postoperative leak than those in other sites (p < 0.05). There were no significant differences in other locations, body mass index, tumor size, reconstruction technique, medical comorbidities, or other factors. There were nearly twice as many intraoperative grade III leaks in those who developed postoperative CSF leak, but this was not statistically significant (p = 0.12).

Conclusion Extrasellar tumors, particularly clival tumors, have a higher rate of postoperative CSF leak than pituitary tumors. Prophylactic lumbar drains can be considered for patients at high risk for developing postoperative CSF leak.
Prenatal Vaccination Patterns among Birthing Individuals with History of Preterm Birth in the Pre- and Post-COVID Era
Authors: Ramey-Collier Khaila L. , Okunbor Jennifer I. , Lunn Siera R. , Feng Kelvin , Truong Tracy , Weaver Kristin E. , Swamy Geeta K. , Wheeler Sarahn M.
Published: January 2023

Objective This study aims to explore vaccination acceptance among individuals with a history of preterm birth between March and June during the pre-COVID (2019), early-COVID (2020), and late-COVID (2021) periods.

Study Design This is a cross-sectional, retrospective cohort study of pregnant individuals with a history of preterm birth (<37 weeks' gestation) who initiated care of a subsequent pregnancy during pre-COVID (March–June 2019), early-COVID (March–June 2020), or late-COVID (March–June 2021). The primary outcome of interest was vaccination status for influenza, Tdap, and COVID-19 vaccines. Fisher's exact and chi-square tests were used to investigate association between vaccination status and time periods, race/ethnicity, and insurance.

Results Among 293 pregnancies, influenza vaccination rate was highest in early-COVID (p < 0.05). There was no statistically significant difference in Tdap or COVID-19 vaccination between time periods. COVID-19 vaccination was highest in individuals with private insurance (p < 0.05). There was no statistically significant difference in vaccination status by race/ethnicity.

Conclusion In this study on high-risk pregnant individuals, the majority of our cohort remained unvaccinated against COVID-19 into the late-COVID period. Additionally, their influenza vaccination rates were greater than the national average in early-COVID and substantially lower than the national average in late-COVID. This shift in influenza vaccination acceptance may have been sparked by COVID-19 vaccine distribution beginning in January 2021 leading to overall vaccination hesitancy. Standardized guidelines and counseling concerning prenatal safety in recommended immunizations may serve as important tools of reassurance and health promotion.

Key Points
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
Authors: Romero Selim , Baruah Tunna , Zope Rajendra R.
Published: January 2023

Accurate prediction of a spin-state energy difference is crucial for understanding the spin crossover phenomena and is very challenging for density functional approximations, especially for local and semi-local approximations due to delocalization errors. Here, we investigate the effect of the self-interaction error removal from the local spin density approximation (LSDA) and Perdew–Burke–Ernzerhof generalized gradient approximation on the spin-state gaps of Fe(II) complexes with various ligands using recently developed locally scaled self-interaction correction (LSIC) by Zope et al. [J. Chem. Phys. 151, 214108 (2019)]. The LSIC method is exact for one-electron density, recovers the uniform electron gas limit of the underlying functional, and approaches the well-known Perdew–Zunger self-interaction correction (PZSIC) as a particular case when the scaling factor is set to unity. Our results, when compared with reference diffusion Monte Carlo results, show that the PZSIC method significantly overestimates spin-state gaps favoring low spin states for all ligands and does not improve upon density functional approximations. The perturbative LSIC-LSDA using PZSIC densities significantly improves the gaps with a mean absolute error of 0.51 eV but slightly overcorrects for the stronger CO ligands. The quasi-self-consistent LSIC-LSDA, such as coupled-cluster single double and perturbative triple [CCSD(T)], gives a correct sign of spin-state gaps for all ligands with a mean absolute error of 0.56 eV, comparable to that of CCSD(T) (0.49 eV).
Non-negligible roles of charge transfer excitons in ultrafast excitation energy transfer dynamics of a double-walled carbon nanotube
Authors: Xie Rui-Fang , Zhang Jing-Bin , Wu Yang , Li Laicai , Liu Xiang-Yang , Cui Ganglong
Published: January 2023

Herein, we employed a developed linear response time dependent density functional theory-based nonadiabatic dynamics simulation method that explicitly takes into account the excitonic effects to investigate photoinduced excitation energy transfer dynamics of a double-walled carbon nanotube (CNT) model with different excitation energies. The E11 excitation of the outer CNT will generate a local excitation (LE) |out*〉 exciton due to its low energy, which does not induce any charge separation. In contrast, the E11 excitation of the inner CNT can generate four kinds of excitons with the LE exciton |in*〉 dominates. In the 500-fs dynamics simulation, the LE exciton |in*〉 and charge transfer (CT) excitons |out−in+〉 and |out+in−〉 are all gradually converted to the |out*〉 exciton, corresponding to a photoinduced excitation energy transfer, which is consistent with experimental studies. Finally, when the excitation energy is close to the E22 state of the outer CNT (∼1.05 eV), a mixed population of different excitons, with the |out*〉 exciton dominated, is generated. Then, photoinduced energy transfer from the outer to inner CNTs occurs in the first 50 fs, which is followed by an inner to outer excitation energy transfer that is completed in 400 fs. The present work not only sheds important light on the mechanistic details of wavelength-dependent excitation energy transfer of a double-walled CNT model but also demonstrates the roles and importance of CT excitons in photoinduced excitation energy transfer. It also emphasized that explicitly including the excitonic effects in electronic structure calculations and nonadiabatic dynamics simulations is significant for correct understanding/rational design of optoelectronic properties of periodically extended systems.
Characterization of excited states in time-dependent density functional theory using localized molecular orbitals
Authors: Sen Souloke , Senjean Bruno , Visscher Lucas
Published: January 2023

Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an adequate basis for the treatment of excited states, a chemically meaningful identification of the different excited-state processes is difficult within such a delocalized orbital basis. In this work, starting from an initial set of supermolecular canonical molecular orbitals, we provide a simple one-step top-down embedding procedure for generating a set of orbitals, which are localized in terms of the supermolecule but delocalized over each subsystem composing the supermolecule. Using an orbital partitioning scheme based on such sets of localized orbitals, we further present a procedure for the construction of local excitations and charge-transfer states within the linear response framework of time-dependent density functional theory (TDDFT). This procedure provides direct access to approximate diabatic excitation energies and, under the Tamm–Dancoff approximation, also their corresponding electronic couplings—quantities that are of primary importance in modeling energy transfer processes in complex biological systems. Our approach is compared with a recently developed diabatization procedure based on subsystem TDDFT using projection operators, which leads to a similar set of working equations. Although both of these methods differ in the general localization strategies adopted and the type of basis functions (Slaters vs Gaussians) employed, an overall decent agreement is obtained.
Marine Decapod Crustacea
Authors: Poore Gary , Ahyong Shane
Published: January 2023

Decapod crustaceans, shrimps, crabs, prawns and their allies are highly visible and important members of marine environments. They are among the most charismatic of marine animals, inhabiting beaches, rocky shores and the deep sea, hiding under stones, burrowing in the sediment and nestling in among algae and many other microhabitats. However, most are difficult to identify by the specialist and amateur naturalist alike.

Marine Decapod Crustacea explains the anatomical features necessary for differentiating taxa and includes diagnoses and identification keys to all 189 families and 2121 genera of marine Decapoda. Many decapods have vivid colours, which are showcased in a selection of spectacular photographs of many representative species.

This volume provides an entry to the literature for taxonomists, naturalists, consultants, ecologists, teachers and students wanting to identify local faunas and understand this diverse group
Anomalous Second Magnetization Peak in 12442-Type RbCa2Fe4As4F2 Superconductors
Authors: Yi Xiaolei , Xing Xiangzhuo , Meng Yan , Zhou Nan , Wang Chunlei , Sun Yue , Shi Zhixiang
Published: January 2023

The second magnetization peak (SMP) appears in most superconductors and is crucial for the understanding of vortex physics as well as the application. Although it is well known that the SMP is related to the type and quantity of disorder/defects, the mechanism has not been universally understood. We selected three stoichiometric superconducting RbCa2Fe4As4F2 single crystals with identical superconducting critical temperature T
c ∼ 31 K and similar self-field critical current density J
c, but with different amounts of disorder/defects, to study the SMP effect. It is found that only the sample S2 with moderate disorder/defects shows significant SMP effect. The evolution of the normalized pinning force density f
p demonstrates that the dominant pinning mechanism changes from the weak pinning at low temperatures to strong pinning at high temperatures. The microstructure study for sample S2 reveals some expanded Ca2F2 layers and dislocation defects in RbFe2As2 layers. The normalized magnetic relaxation results indicate that the SMP is strongly associated with the elastic to plastic (E-P) vortex transition. As temperature increases, the SMP gradually evolves into a step-like shape and then becomes a sharp peak near the irreversibility field similar to what is usually observed in low-temperature superconductors. Our findings connect the low field SMP of high-temperature superconductors and the high field peak of low-temperature superconductors, revealing the possible universal origin related to the E-P phase transition.
Numerical-relativity surrogate modeling with nearly extremal black-hole spins
Authors: Walker Marissa , Varma Vijay , Lovelace Geoffrey , Scheel Mark A
Published: January 2023

Numerical relativity (NR) simulations of binary black hole (BBH) systems provide the most accurate gravitational wave predictions, but at a high computational cost—especially when the black holes have nearly extremal spins (i.e. spins near the theoretical upper limit) or very unequal masses. Recently, the technique of reduced order modeling has enabled the construction of ‘surrogate models’ trained on an existing set of NR waveforms. Surrogate models enable the rapid computation of the gravitational waves emitted by BBHs. Typically these models are used for interpolation to compute gravitational waveforms for BBHs with mass ratios and spins within the bounds of the training set. Because simulations with nearly extremal spins are so technically challenging, surrogate models almost always rely on training sets with only moderate spins. In this paper, we explore how well surrogate models can extrapolate to nearly extremal spins when the training set only includes moderate spins. For simplicity, we focus on one-dimensional surrogate models trained on NR simulations of BBHs with equal masses and equal, aligned spins. We assess the performance of the surrogate models at higher spin magnitudes by calculating the mismatches between extrapolated surrogate model waveforms and NR waveforms, by calculating the differences between extrapolated and NR measurements of the remnant black-hole mass, and by testing how the surrogate model improves as the training set extends to higher spins. We find that while extrapolation in this one-dimensional case is viable for current detector sensitivities, surrogate models for next-generation detectors should use training sets that extend to nearly extremal spins.
The Gravito–Maxwell equations of General Relativity in the local reference frame of a GR-noninertial observer
Authors: Schmid Christoph
Published: January 2023

We show that the acceleration-difference of neighboring freefalling particles (= geodesic deviation) measured in the local reference frame of a noninertial observer in general relativity (GR) is not given by the Riemann tensor. With the gravito-electric field

of GR defined as the acceleration of freefalling quasistatic particles relative to the observer,

measured in the reference frame of a GR-noninertial observer is different from the curvature

R

0

0

. We derive our exact, explicit, and simple gravito-Gauss law for

in our new reference frame of a GR-noninertial observer with his LONB (Local Ortho-Normal Basis

e
ˉ

a
ˆ

) and his LONB-connections

(

ω

b
ˆ

a
ˆ

)

c
ˆ

in his time- and 3-directions: the sources of

are contributed by all fields including the GR-gravitational fields

. In the reference frame of a GR-inertial observer our gravito-Gauss law coincides with with Einstein’s

R

0

0

equation, which does not have gravitational fields as sources. We derive the gravito-Ampère law for

, the gravito-Faraday law for

, and the law for

. The densities of energy, momentum, and momentum-flow of GR-gravitational fields

are local observables, but they depend on the observer with his local reference frame: if measured by a GR-inertial observer on his worldline in his frame of LONB connections, these quantities are zero. For a GR-noninertial observer the sources of gravitational energy, momentum, and momentum-flow densities have the opposite sign from the electromagnetic and matter sources. The sources in the gravito-Gauss law contributed by gravitational energy and momentum-flow densities have a repulsive effect on the gravitational acceleration-difference of particles. This contributes to the accelerated expansion of our inhomogeneous Universe today.
High-performance flexible dual-function networks based on MXene hybrid film for human–machine interaction
Authors: Xu Hao , Zheng Yiqiang , Yuan Zeyu , Lou Zheng , Wang Lili , Han Wei
Published: January 2023

Flexible multifunctional devices can be used in many fields, but it needs to solve the limitations of their integration and mutual interference, which limits their practical applications. Therefore, it is urgent to develop a flexible sensor that can sense multiple signals at the same time and apply it to human physiological monitoring in real-time. Herein, we developed a flexible dual function sensor which used Ti3C2T
x
MXene/Ag nanowires (Ag NWs)/tissue hybrid film as the sensing materials. The flexible devices exhibit two types of sensing, including high-performance pressure sensing with a high sensitivity and fast response speed, and high-performance humidity sensing with wide detection range of relative humidity. These new functions enable the device to monitor human motion information and human–machine interaction in a personalized way like an electronic skin. The synthesis of Ti3C2T
x
MXene/Ag NWs/tissue hybrid film provides a material suitable for large-scale preparation for the development of wearable electronic devices with high performance and high integration.
Deep neural network for microstructured polymer fiber modeling
Authors: Li Hongwei , Chen Hailiang , Li Yuxin , Chen Qiang , Li Shuguang , Ma Mingjian
Published: January 2023

Microstructured polymer fibers have been widely studied for terahertz waveguides, sensing, environmental monitoring, and medicine. Time-consuming methods, including the finite element method and finite-difference time-domain, have been used to design and simulate microstructure polymer fibers. Designing optimal artificial neural networks (ANN) with various hyperparameters for each optical property considerably improve the prediction accuracy. We compared and explained the differences between predicting one quantity at one time and predicting multiple quantities at the same time. We utilized the successfully trained ANN to accurately evaluate the optical properties of the unknown geometry, including the effective refractive index (

n

eff

), and effective mode area (

A

eff

). In addition, we took logarithmic transformation to form a more uniform distribution, which allowed us to successfully predict confinement loss (α
c). We also demonstrated that ANN could predict the core mode properties of unknown geometric parameters in a considerably short time compared to the finite element method simulation. Moreover, ANN with ultrafast calculation speed and high prediction accuracy accelerate the optical function device design process.
Ga2O3 metal–insulator-semiconductor solar-blind photodiodes with plasmon-enhanced responsivity and suppressed internal photoemission
Authors: Zhang Chong-De , Ren Fang-Fang , Yu Mingbin , Zhang Baoshan , Gu Shulin , Zhang Rong , Zheng Youdou , Ye Jiandong
Published: January 2023

Metal-semiconductor-metal (MSM) architectures are popular for achieving high-responsivity Ga2O3 solar-blind photodetectors (SBPDs), however, the hot-electron-induced internal photoemission (IPE) effect restricts their detecting performance. Herein, we demonstrate the rational design of an Al/Al2O3/Ga2O3 metal–insulator-semiconductor (MIS) SBPD that has merits of enhanced responsivity, suppressed sub-gap response and ultralow dark current based on the simulation results obtained using Lumerical software. For the cylindrical patterned detectors with Al/Al2O3/Ga2O3 MIS structures, the optimized dimensions of Al electrodes with a conformed ultra-thin (2 nm) Al2O3 layer support the surface plasmon polariton resonances at 250 nm, thus improving the photoresponsivity to 74 mA W−1. Furthermore, the sandwiched Al2O3 layer lifts the barrier for hot electrons in electrodes, which significantly suppresses the IPE-induced sub-gap photoresponse by more than 105 in magnitude with respect to the Al/Ga2O3 MSM counterpart. Optical and electrical field distributions are overlapped in cylindrically patterned MIS detectors, simultaneously improving the excitation and collection efficiencies of excess carriers and resulting in the 103-boosted rejection ratio.
Calibration method for structural parameters of the articulated arm coordinate measuring machine utilizing a modified hybrid algorithm
Authors: Liu Kejin , Liang Yaru , Tang Miaomiao
Published: January 2023

In order to increase the precision and decrease the movement uncertainty of the articulated arm coordinate measuring machine (AACMM), a calibration method is proposed in this paper, where the accuracy of single-point repeatability and volumetric accuracy (indicated by distance precision) are simultaneously considered. Considering the good ability of global exploitation and local exploration granted by chicken swarm optimization (CSO) and tabu search (TS), respectively, the CSO and TS are hybridized to construct the tabu searching-based CSO (TSCSO). To help the TSCSO jump out of the local optimal area when it is trapped in it, a transformational criterion of convergence precision is designed to integrate TSCSO with simulated annealing (SA) to formulate the hybrid algorithm called TSCSO with TSCSO-SA, which simultaneously possesses the good ability to globally exploit, locally explore, and jump out of the local optimal area when the population is trapped in it. Moreover, calibration experiments are conducted based on the accuracy of single-point repeatability and volumetric accuracy to verify the effectiveness, efficiency and suitability of the method and algorithm used in this paper. The results of the experiments and verifications show that the precision and movement uncertainty of the AACMM are immensely increased and decreased, respectively, further revealing that the method and algorithm proposed in this paper are able to effectively, efficiently and suitably calibrate the structural parameters of the AACMM.
Electrical and mechanical data fusion for hydraulic valve leakage diagnosis
Authors: Conti Fabio , Madeo Federica , Boiano Antonio , Tarabini Marco
Published: January 2023

This paper describes a method for the identification of valves’ failure, with the final aim of creating a predictive maintenance architecture. After revising the scientific literature, we selected the electric current, the acoustic emission and the vibration signals as the most promising monitoring techniques. The processes of feature extraction and data fusion have been optimized to detect early symptoms of a failure. Performances of five different machine learning algorithms have been compared. Results, obtained in a specific case study, evidenced that a data fusion process based on vibration and current data, paired with a random forest model allowed a prediction accuracy and a Jaccard index close to 99%.
Data-augmented patch variational autoencoding generative adversarial networks for rolling bearing fault diagnosis
Authors: Wang Xin , Jiang Hongkai , Liu Yunpeng , Yang Qiao
Published: January 2023

Many recent studies have focused on imbalanced rolling bearing data for fault diagnosis. Complementing the imbalance dataset through data augmentation methods excellently solves this problem superior. In this paper, a patch variational autoencoding generative adversarial network (PVAEGAN) is proposed. Firstly, overlap sampling is designed to preprocess the input samples to alleviate noise interference. Secondly, the PVAEGAN is constructed, and the matrix discriminative output of the model allows it to focus on more features of the data during training. Thirdly, a stability-enhancing structure is designed for PVAEGAN to improve the stability of network parameter variations and inter-network stability for better model results. Furthermore, to verify the use of the multi-class comparison method, experiments are conducted. The results indicate that PVAEGAN can augment imbalanced datasets more effectively and with better robustness than other existing models.
A multilevel electrolyte-gated artificial synapse based on ruthenium-doped cobalt ferrite
Authors: Monalisha P , Li Shengyao , Jin Tianli , Kumar P S Anil , Piramanayagam S N
Published: January 2023

Synaptic devices that emulate synchronized memory and processing are considered the core components of neuromorphic computing systems for the low-power implementation of artificial intelligence. In this regard, electrolyte-gated transistors (EGTs) have gained much scientific attention, having a similar working mechanism as the biological synapses. Moreover, compared to a traditional solid-state gate dielectric, the liquid dielectric has the key advantage of inducing extremely large modulation of carrier density while overcoming the problem of electric pinholes, that typically occurs when using large-area films gated through ultra-thin solid dielectrics. Herein we demonstrate a three-terminal synaptic transistor based on ruthenium-doped cobalt ferrite (CRFO) thin films by electrolyte gating. In the CRFO-based EGT, we have obtained multilevel non-volatile conductance states for analog computing and high-density storage. Furthermore, the proposed synaptic transistor exhibited essential synaptic behavior, including spike amplitude-dependent plasticity, spike duration-dependent plasticity, long-term potentiation, and long-term depression successfully by applying electrical pulses. This study can motivate the development of advanced neuromorphic devices that leverage simultaneous modulation of electrical and magnetic properties in the same device and show a new direction to synaptic electronics.