bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigation on small volume and long optical path multipass cell using differential evolution algorithm
Authors: Zhang Mengru , Chen Chen , Chen Hongda , Dong Weihao , Li Yongyang , Xu Haozhi , Li Chunguang
Published: December 2022

To solve the contradiction between high performance and portability of tunable diode laser absorption spectroscopy (TDLAS) systems, we propose a multipass cell (MPC) design method based on differential evolution (DE) algorithm, and realize intelligent optimization design of MPC with small volume and long optical path. MPC is the core component of the TDLAS system. The optical path of MPC determines the detection accuracy of the TDLAS system. The optical path is affected by the position and angle of incident laser, mirror spacing, and other parameters. The DE algorithm is used to optimize the parameters that affect the performance of MPC, and a compact MPC with a spherical mirror diameter of 25.4 mm, a laser reflection number of 183, an optical path of 5.98 m, and a mirror spacing of 31.7 mm is designed. Under the same spherical mirror condition, the detection limit of MPC designed based on the DE algorithm is increased from 0.91 to 0.76 ppm compared with the MPC commonly used seven‐ring spot pattern. This has a guiding and exemplary role in the design and development of high space utilization MPC.
Dual‐port single‐loop MIMO antenna unit for unbroken metal‐frame terminals without cutting
Authors: Qu Longyue , Piao Haiyan
Published: December 2022

In this study, a simple and efficient dual‐port single‐loop antenna unit, intended for full metal‐frame terminals, is presented as the first of its kind. The proposed multiple‐input and multiple‐output (MIMO) antenna unit is constructed within a loop resonator, inserted between the metal frame and the ground plane without any slits or cuttings. Two voltage ports are utilized to simultaneously excite the shared loop resonator as radiators; however, the strong mutual coupling is induced from one port to another because of the shared loop resonator. Herein, a simple and efficient decoupling capacitor is loaded at the center of the loop resonator, decoupling and decorrelating the two‐port loop resonator. In this way, a dual‐port single‐loop antenna unit is accomplished for 5G MIMO applications. Two units are constructed, forming 4 × 4 MIMO antennas, which are validated in both simulation and measurement.
A compact tri‐band impedance transformer for frequency‐dependent complex loads
Authors: Wan Zipeng , Liu Qiang , Liu Wang , Cheng Dong , Du Guangxing , Li Guolin
Published: December 2022

A compact tri‐band impedance transformer that can match the frequency‐dependent complex loads is presented in this letter. The proposed transformer is cascade of a dual‐band conductance transforming network, a dual‐band susceptance stub network and a dual‐to‐tri‐band transformer. There are four topologies of the transformer are available according to the different loads at the first frequency and the realizability of the transformer. All the parameters are acquired by solving the closed form design equations and a detailed design process is provided. The proposed design method is demonstrated through two examples, and a prototype is fabricated. Good agreement between the simulated and measured results is obtained. Compared with the existing works, the transformer not only can match the frequency‐dependent complex loads, but also obtains wide bandwidths and has a very short electrical length. In summary, the proposed impedance transformer is very suitable for the design of tri‐band active circuits and systems.
A high gain dual circularly polarized X‐band antenna for CubeSat applications
Authors: Reddy Mekala Harinath , Sheela Divakaran
Published: December 2022

In this article, a dual circularly polarized high gain superstrate integrated X‐band antenna is designed and analyzed for CubeSat applications. The proposed antenna consists of a metallic patch, multilayer space qualified printed circuit boards, and a dielectric superstrate with a high relative permittivity on top of the patch to establish a suitable resonance condition for high‐gain operation. The driven patch is fed by a 3‐dB hybrid coupler for the generation of dual (left hand circular polarization and right hand circular polarization) circular polarization. The antenna exhibits an impedance bandwidth of >18.5% (7.75–9.4 GHz) with a peak gain of >16 dBiC. The achieved antenna performance makes it suitable for CubeSat missions at X‐band.
A novel resonant‐type tunable group delay controller based on third‐order fully tunable topology
Authors: Xiang Qianyin , Wang Xiangdi , Fu Mingye , Feng Quanyuan
Published: December 2022

A novel resonant‐type group delay controller based on third‐order resonant topology with tunable central frequency and coupling coefficients is proposed. The coupling structure is realized by coupled line resonators loaded with two shunt capacitors for coupling coefficient tuning, and a series capacitor for resonant frequency tuning, then the group delay and working frequency can be tuned. The structure has the advantage of a large range of tunable coupling coefficients and breaks through the group delay tunable range of traditional delay circuits. The circuit is designed, simulated, and measured. The measurement shows that the group delay can be tuned from 5 to 20 ns with a tunable central frequency in the range of 0.8–1.05 GHz, and minimum ± 0.5 ns group delay bandwidth and −3 dB magnitude bandwidth of 12 MHz.
Copper Toxicity to the Ghost Rams-Horn Snail Biomphalaria havanensis
Authors: Mischke Charles C. , Richardson Bradley M. , Tiwari Ambika , Griffin Matt J. , Rehman Junaid U. , Ashfaq Mohammad K. , Nanayakkara N. P. Dhammika , Khan Ikhlas A. , Wise David J.
Published: December 2022

Avian piscivores cause direct economic losses to the aquaculture industry through predation, as well as indirect losses through transmission of digenetic trematodes. Bolbophorus damnificus is a trematode parasite associated with significant losses in catfish aquaculture. The complex life cycle involves the American white pelican Pelecanus erythrorhynchos, planorbid snails, and ictalurid catfish. With no approved therapeutics for B. damnificus in catfish Ictalurus spp. and federal protections on American white pelican, management is restricted to controlling snail hosts. Two snail species, marsh rams-horn snail Planorbella trivolvis and ghost rams-horn snail Biomphalaria havanensis, are common inhabitants of commercial catfish ponds and known to transmit B. damnificus. Previous work evaluated copper sulfate toxicity on marsh rams-horn snails; however, data are lacking for ghost rams-horn snails. Herein, laboratory-reared adults of ghost rams-horn snails and marsh rams-horn snails were exposed to copper concentrations ranging from 0.16 to 3.38 mg/L Cu to evaluate 24-, 48-, and 72-h acute toxicity. Additionally, sequential low-dose treatments ranging from 0.1 to 0.8 mg/L Cu were evaluated on eggs, juveniles, and adults of ghost rams-horn snails as a potentially safer treatment regime for ponds. Acute toxicity was similar between snail species for all exposure times. A 72-h exposure produced an LC50 of 0.10 and 0.37 mg/L Cu for ghost rams-horn snails and marsh rams-horn snails, respectively. The LC50 values increased to 1.1 mg/L Cu for both species with 48-h exposure. However, in the multiple low-dose study, a single dose of 0.4 or 0.8 mg/L Cu was lethal to all adult snails after 1 week, as was 0.2 mg/L Cu after two doses. Four doses of 0.1 mg/L Cu or greater killed all ghost rams-horn snail juveniles. Results indicate that marsh rams-horn snails and ghost rams-horn snails have similar sensitivity to copper, and multiple low-dose treatments were effective against all life stages of ghost rams-horn snails. These data indicate that copper can be an effective treatment for snail control in commercial catfish ponds.
TTRISK: Tensor train decomposition algorithm for risk averse optimization
Authors: Antil Harbir , Dolgov Sergey , Onwunta Akwum
Published: December 2022

This article develops a new algorithm named TTRISK to solve high‐dimensional risk‐averse optimization problems governed by differential equations (ODEs and/or partial differential equations [PDEs]) under uncertainty. As an example, we focus on the so‐called Conditional Value at Risk (CVaR), but the approach is equally applicable to other coherent risk measures. Both the full and reduced space formulations are considered. The algorithm is based on low rank tensor approximations of random fields discretized using stochastic collocation. To avoid nonsmoothness of the objective function underpinning the CVaR, we propose an adaptive strategy to select the width parameter of the smoothed CVaR to balance the smoothing and tensor approximation errors. Moreover, unbiased Monte Carlo CVaR estimate can be computed by using the smoothed CVaR as a control variate. To accelerate the computations, we introduce an efficient preconditioner for the Karush–Kuhn–Tucker (KKT) system in the full space formulation.The numerical experiments demonstrate that the proposed method enables accurate CVaR optimization constrained by large‐scale discretized systems. In particular, the first example consists of an elliptic PDE with random coefficients as constraints. The second example is motivated by a realistic application to devise a lockdown plan for United Kingdom under COVID‐19. The results indicate that the risk‐averse framework is feasible with the tensor approximations under tens of random variables.
Impact of electronic health record‐coaching features in weight change: A secondary analysis from the MAINTAIN‐pc randomized trial
Authors: Cedillo Maribel , Kukhareva Polina V. , Larsen Skylar M. , McTigue Kathleen M. , Bryce Cindy L. , Barone Gibbs Bethany , Hess Rachel , Huber Kimberly , Conroy Molly B.
Published: December 2022

Objective

This study aimed to evaluate whether coaching features were successfully transmitted via electronic health record (EHR) communication and to evaluate their relationship with weight change in a previously tested EHR‐based coaching intervention.

Methods

A secondary analysis from the Maintaining Activity and Nutrition through Technology‐Assisted Innovation in Primary Care (MAINTAIN‐pc) study randomized clinical trial was conducted in nine primary care practices and one specialty practice (endocrinology) affiliated with the University of Pittsburgh Medical Center. Eligibility included age 18 to 75 years, intentional 5% weight loss in the previous 2 years, access to an internet‐connected computer, and receipt of care from a University of Pittsburgh Medical Center primary care provider. Survey data were collected during the randomized clinical trial.

Results

Participants content with intervention delivery via the EHR and those who felt a strong connection to their coach had significantly less weight regain (p = 0.013 and p < 0.01, respectively). Participants who had needs unmet by the intervention (e.g., “in‐person” support in a group setting or individual settings) regained more weight (p < 0.01).

Conclusions

The data suggest heterogeneity in the patient population regarding preference for in‐person versus EHR‐based coaching formats. Such heterogeneity might result in the differential success of EHR‐based interventions.
Dynamic crush response of compression molded planar isotropic carbon fiber reinforced composites
Authors: Newcomb Bradley A.
Published: December 2022

Vehicle mass reduction can be achieved through the utilization of carbon fiber reinforced composites within the vehicle body structure. In this study, planar isotropic compression molded carbon fiber reinforced composites are studied for their potential utilization as automotive primary energy absorbing structures. The energy absorption behavior of a discontinuous randomly oriented 2‐D planar isotropic carbon fiber reinforced nylon 6 thermoplastic composite and a continuous 2 × 2 twill quasi‐isotropic carbon fiber reinforced epoxy thermoset composite are studied by dynamic flat plaque crush testing. Post‐mortem failure modes of both materials are related back to their load‐displacement and energy‐displacement curves under different test conditions. It is shown that crush fixture support length dictates the failure mode and specific energy absorption (SEA) of all fiber reinforced composites tested. In addition, elevated temperature testing of the nylon 6 carbon fiber reinforced composites reduces the SEA in all test configurations. Finally, an automotive carbon fiber composite front end energy absorbing structure is considered as the replacement over a legacy metallic energy absorbing structure. Mass reduction benefits beyond the improved SEA of the composite as compared to the metallic structure it replaces are discussed by considering the increased crush length efficiency of the composite structure which can reduce the vehicle front end length, and therefore the mass of the vehicle. These results are expected to direct the future development of fiber reinforced composites structures in energy absorbing automotive structures.
Issues associated with possible implementation of Non‐Invasive Prenatal Testing (NIPT) in first‐tier screening: A rapid scoping review
Authors: Ghiasi Maryam , Armour Christine , Walker Mark , Shaver Nicole , Bennett Alexandria , Little Julian
Published: December 2022

In recent years, as the implementation and use of Non‐Invasive Prenatal Testing (NIPT) have increased, the cost of the test has been decreasing. The cost of NIPT is expected to fall further in the upcoming years. As a result of the decreasing cost of NIPT, many jurisdictions may change their prenatal screening policies toward abandoning serum‐based screening and instead, implement and support NIPT as the first‐tier screening for all women. There are several concerns in replacing first‐trimester screening with NIPT. In this scoping review, we aimed to map the existing knowledge about possible issues in the systematic implementation of NIPT as the primary method of first‐tier screening and to assess if any jurisdiction has altered its policy and discontinued serum‐based prenatal screening in exchange for NIPT. The Medline database (Ovid) and Google Scholar was searched and all the studies discussing, investigating, or reporting on the systematic implementation of NIPT as the primary method of first‐tier screening were included. All the studies went through a two‐stage screening process and included full‐text articles were reviewed. We did not find any articles indicating a country or region that replaced traditional prenatal screening by NIPT. The included articles were charted, and the data about the possible issues in the systematic implementation of NIPT as the primary method of first‐tier screening are summarized narratively and presented in tables in four categories. The findings of this scoping review may be informative for stakeholders and policymakers regarding recent changes in NIPT implementation policies around the world and may aid with developing policy for NIPT implementation with a broader perspective.
Highly Stable Graphene Inks Based on Organic Binary Solvents
Authors: Ahmed Md Raju , Mirihanage Wajira , Potluri Prasad , Fernando Anura
Published: December 2022

Formulating highly stable graphene‐based conductive inks with consistency in electrical properties over the storage period has remained a significant challenge in the development of wearable electronics. Two highly stable graphene‐based inks (Cyclohexanone:Ethylene glycol (CEG) ink and Cyclohexanone:Terpineol (CT) ink) are prepared by using two different organic binary solvents, for the first time, without using solvent exchange methods. Both the inks display remarkably high stability (stable even after two months) with negligible variability in electrical properties. Here, it is demonstrated how such inks can be utilized to coat flexible substrates to create wearable e‐textiles. Both the inks coated e‐textiles show significantly low sheet resistance (≈209.1 Ω □−1 for CEG ink and ≈322.4 Ω □−1 CT ink) that show less than a 15% increase in electrical resistance over two months. Therefore, these inks offer high productivity and reproducibility and can be one of the most effective methods for formulating graphene‐based inks.
A competition smFRET assay to study ligand‐induced conformational changes of the dengue virus protease
Authors: Maus Hannah , Hinze Gerald , Hammerschmidt Stefan Josef , Basché Thomas , Schirmeister Tanja
Published: December 2022

Ligand binding to proteins often is accompanied by conformational transitions. Here, we describe a competition assay based on single molecule Förster resonance energy transfer (smFRET) to investigate the ligand‐induced conformational changes of the dengue virus (DENV) NS2B‐NS3 protease, which can adopt at least two different conformations. First, a competitive ligand was used to stabilize the closed conformation of the protease. Subsequent addition of the allosteric inhibitor reduced the fraction of the closed conformation and simultaneously increased the fraction of the open conformation, demonstrating that the allosteric inhibitor stabilizes the open conformation. In addition, the proportions of open and closed conformations at different concentrations of the allosteric inhibitor were used to determine its binding affinity to the protease. The KD value observed is in accordance with the IC50 determined in the fluorometric assay. Our novel approach appears to be a valuable tool to study conformational transitions of other proteases and enzymes.
RosettaDDGPrediction for high‐throughput mutational scans: From stability to binding
Authors: Sora Valentina , Laspiur Adrian Otamendi , Degn Kristine , Arnaudi Matteo , Utichi Mattia , Beltrame Ludovica , De Menezes Dayana , Orlandi Matteo , Stoltze Ulrik Kristoffer , Rigina Olga , Sackett Peter Wad , Wadt Karin , Schmiegelow Kjeld , Tiberti Matteo , Papaleo Elena
Published: December 2022

Reliable prediction of free energy changes upon amino acid substitutions (ΔΔGs) is crucial to investigate their impact on protein stability and protein–protein interaction. Advances in experimental mutational scans allow high‐throughput studies thanks to multiplex techniques. On the other hand, genomics initiatives provide a large amount of data on disease‐related variants that can benefit from analyses with structure‐based methods. Therefore, the computational field should keep the same pace and provide new tools for fast and accurate high‐throughput ΔΔG calculations. In this context, the Rosetta modeling suite implements effective approaches to predict folding/unfolding ΔΔGs in a protein monomer upon amino acid substitutions and calculate the changes in binding free energy in protein complexes. However, their application can be challenging to users without extensive experience with Rosetta. Furthermore, Rosetta protocols for ΔΔG prediction are designed considering one variant at a time, making the setup of high‐throughput screenings cumbersome. For these reasons, we devised RosettaDDGPrediction, a customizable Python wrapper designed to run free energy calculations on a set of amino acid substitutions using Rosetta protocols with little intervention from the user. Moreover, RosettaDDGPrediction assists with checking completed runs and aggregates raw data for multiple variants, as well as generates publication‐ready graphics. We showed the potential of the tool in four case studies, including variants of uncertain significance in childhood cancer, proteins with known experimental unfolding ΔΔGs values, interactions between target proteins and disordered motifs, and phosphomimetics. RosettaDDGPrediction is available, free of charge and under GNU General Public License v3.0, at https://github.com/ELELAB/RosettaDDGPrediction.
AMP‐BERT: Prediction of antimicrobial peptide function based on a BERT model
Authors: Lee Hansol , Lee Songyeon , Lee Ingoo , Nam Hojung
Published: December 2022

Antimicrobial resistance is a growing health concern. Antimicrobial peptides (AMPs) disrupt harmful microorganisms by nonspecific mechanisms, making it difficult for microbes to develop resistance. Accordingly, they are promising alternatives to traditional antimicrobial drugs. In this study, we developed an improved AMP classification model, called AMP‐BERT. We propose a deep learning model with a fine‐tuned bidirectional encoder representations from transformers (BERT) architecture designed to extract structural/functional information from input peptides and identify each input as AMP or non‐AMP. We compared the performance of our proposed model and other machine/deep learning‐based methods. Our model, AMP‐BERT, yielded the best prediction results among all models evaluated with our curated external dataset. In addition, we utilized the attention mechanism in BERT to implement an interpretable feature analysis and determine the specific residues in known AMPs that contribute to peptide structure and antimicrobial function. The results show that AMP‐BERT can capture the structural properties of peptides for model learning, enabling the prediction of AMPs or non‐AMPs from input sequences. AMP‐BERT is expected to contribute to the identification of candidate AMPs for functional validation and drug development. The code and dataset for the fine‐tuning of AMP‐BERT is publicly available at https://github.com/GIST-CSBL/AMP-BERT.
Prostate magnetic resonance imaging‐targeted biopsy global grade correlates better than highest grade with prostatectomy grade
Authors: Ren Joyce , Melamed Jonathan , Taneja Samir S. , Wysock James S. , Huang William C. , Lepor Herbert , Deng Fang‐Ming
Published: December 2022

Background

Magnetic resonance imaging (MRI)‐targeted prostate biopsy has become an increasingly common method of diagnosing prostate cancer. A previous study from our institution demonstrated that the biopsy global Grade Group (gGG, aggregate GG of all positive cores) and highest Grade Group (hGG in any core) both show substantial concordance with the Grade Group at radical prostatectomy (RPGG) while the discordance predominantly consists of upgrading in gGG and downgrading in hGG. We performed a larger cohort study focused on biopsy cases in which gGG and hGG differ, to determine their relative concordance with RPGG.

Methods

We conducted a retrospective review of radical prostatectomy specimens with prior MRI‐targeted biopsies from our institution between 2016 and 2020. Separate gGG and hGG were assigned to each MRI‐targeted lesion. Targeted lesions with different gGG versus hGG were segregated from those with identical gGG and hGG. The concordance of biopsy GG with RPGG was evaluated using κ coefficient analysis.

Results

Of the 489 lesions with MRI‐targeted biopsies, 82 (17%) differed in gGG versus hGG. The gGG of 46 (56%), 33 (40%), and 3 (4%) lesions were unchanged, upgraded, and downgraded at radical prostatectomy, respectively (κ= 0.302, weighted κ = 0.334). The hGG of 24 (29%), 9 (11%), and 49 (60%) lesions were unchanged, upgraded, and downgraded at radical prostatectomy, respectively (κ = 0.040, weighted κ = 0.198). When stratified by the biopsy GG, gGG showed the highest concordance in GG2 (61%) and GG3 (54%) lesions. The hGG resulted in substantial downgrading (60%) with less optimal concordance regardless of the biopsy GG. Neither the prebiopsy prostate specific antigen level nor the PI‐RADS score was predictive of upgrading of gGG.

Conclusions

When gGG and hGG differ, gGG method more accurately predicts the RPGG than hGG, particularly in GG2 and GG3 lesions which comprised the majority of targeted lesions.
Density Functional Theory Search of 3d Transition Metal Complexes in Diamond for Quantum Sensing Applications
Authors: Gothard Nicholas W. , Steurer Michael P. , Lovegrove Hannah , Moffitt Autumn , Chok Asher , Bissell Luke J.
Published: December 2022

Optically addressable defects in wide‐bandgap semiconductors are of considerable interest as materials platforms for quantum sensing and information systems. Density functional theory is used to identify novel defects in diamond consisting of transition metal + nitrogen complexes with potential for quantum sensing. Defects are characterized with respect to formation energy, ordering and degeneracy of the defect energy levels, optical and charge transition energies, zero‐field‐splitting energies, and thermodynamic stability. Novel defect sites with optically addressable spin states and viable spin sublevel configurations are identified, and analysis of activation energies for atomic migration indicates stability in the lattice.
Synthesis, Structural, and Photoluminescence Properties of MoS2 Nanowall Films
Authors: Loginov Artem B. , Fedotov Pavel V. , Bokova-Sirosh Sofya N. , Sapkov Ivan V. , Chmelenin Dmitry N. , Ismagilov Rinat R. , Obraztsova Elena D. , Loginov Boris A. , Obraztsov Alexander N.
Published: December 2022

Production and characterization of molybdenum disulfide (MoS2) and other transition metal dichalcogenide materials attract significant attention of scientific community due to pronounced two‐dimensional character of their electronic properties. Herein, MoS2 synthesis by chemical vapor deposition with gaseous hydrogen sulfide (H2S) containing thermally evaporated molybdenum (Mo) is presented. The films deposited onto silicon (Si) substrate consist of flake‐like crystallites of nanometer thickness assembled of parallel atomic layers oriented predominantly along a normal to the substrate surface. The dependence of film morphology on deposition time, substrate temperature, and precursor composition in gaseous phase is investigated. The Raman spectroscopy and electron microscopy analysis reveal the presence of mono‐ and bilayered structures in the film. Photoluminescence (PL) efficiency of the films is found to be increased in comparison with the monolayer MoS2 crystallites. The high PL efficiency in combination with the high spatial uniformity of the film materials makes them prospective for application in electronic and photonic industry.
Photoluminescence from Be‐Doped GaN Grown by Metal‐Organic Chemical Vapor Deposition
Authors: Reshchikov Michael Alexander , Vorobiov Mykhailo , Andrieiev Oleksandr , McEwen Benjamin , Rocco Emma , Meyers Vincent , Demchenko Denis O. , Shahedipour-Sandvik F. Shadi
Published: December 2022

A systematic photoluminescence study of Be‐doped GaN grown by metal‐organic chemical vapor deposition is presented. All Be‐doped samples show the ultraviolet luminescence (UVLBe) band with a maximum at 3.38 eV and the yellow luminescence (YLBe) band with a maximum at ≈2.15 eV in GaN:Be having various concentrations of Be. The UVLBe band is attributed to the shallow state of the BeGa acceptor with a delocalized hole. The YLBe band is caused by a Be‐related defect, possibly the polaronic state of the BeGa acceptor with the charge transition level at 0.3 eV above the valence band. This broad band exhibits unusual properties. In particular, it always shows two steps in its thermal quenching. The second step at T ≈ 200 K is attributed to the emission of holes from the 0.3 eV level to the conduction band. The origin of the first step remains unexplained.
Quantum chemical modeling of electron‐deficient hollow TlkPb12–k and TlkBi20–k shells and related endohedral complexes (k = 1; 2)
Authors: Semenov Sergey G. , Bedrina Marina E. , Klemeshev Vladimir A. , Titov Anatoly V.
Published: December 2022

The equilibrium structural parameters, symmetry groups, and dipole moments of the free hollow electron‐deficient TlBi19, Tl2Bi18, p‐, m‐, o‐Tl2Pb10 shells and the endohedral (He, Ne)@Tl2Pb10, (Y, La, Lu, Tl, Bi, Ce)@TlPb11, Tl@(Y, La, Lu) Pb11, Sr@TlBi19, Tl@SrBi19, Yb@TlBi19, Tl@YbBi19, [Y@TlBi19]+, [Lu@TlBi19]+, Sr@Tl2Bi18, and Yb@Tl2Bi18 complexes are predicted by using DFT (U)PBE0 hybrid method. The isomerization of (Sr, Yb)@TlkBi20–k into Tl@(Sr, Yb) Tlk–1Bi20–k is endothermic. The isodesmic substitution of an endo‐atom in the Tl@TlPb11 cluster for a rare‐earth atom is exothermic. The hollow TlkBi20–k (Sr, Yb) complexes with Tl in the shell and with Sr or Yb exo‐atom are impossible. The endo‐atoms plunge in hollow TlPb11 and hollow TlBi19 shells without delay on its surface. The (C5v)‐TlPb11 and (C3v)‐TlBi19 shells are stabilized by an endo‐atom X with oxidation number ΞX = +3 and +2, respectively. No one cerium IV oxidation state has been predicted. The integer number ΞX is presented as a function of the populations of one‐electron states in the shell surrounding the endo‐atom X. Each Pb or Bi atom in the electron‐deficient clusters retains an entirely localized lone electron pair. The change in the IR spectrum when a metal atom is embedded into its cavity indicates a strong interaction between the components of the endohedral complex. Structural aspects of the β‐decay of a radioactive endo‐atom in the cavity of a metal cluster are discussed.
Interference in photo‐detachment of triatomic negative ion near a hard reflecting surface
Authors: Khan Farooq , Rehman Habib U. , Asif Syed M. , Khan Muhammad Abbas , Khan Muhammad Aslam
Published: December 2022

The physical phenomena in which an extra electron is removed from a negative ion is called photo‐detachment. Photo‐detachment is important phenomena, used to find the structure of anions, particularly to find the electron affinities. In this paper, we present theoretically the induced effects in the photo‐detached of triatomic anion H3− near hard reflecting wall or surface. For the photo‐detachment process, a z‐polarized coherent source of radiations (laser) is used to kick electrons from H3− anion in the domain of a hard reflecting surface. Imaging method is adopted to derive the generalized detached electron wave, differential cross‐section and the total photo detachment cross‐section analytically. Numerical solutions (simulations) for total electron flux and the total cross‐section is presented. The electron flux, shows visible oscillations and hence the induced effect of surface in the interference. It is depicted that the reflecting hard wall strongly affects the flux and total photo‐detachment cross‐section. The analytical results are extended for triiodide I3− anion numerically, which also show interference. The total photo detachment cross‐section for I3− is calculated numerically and compared with cross‐section of H3−.
Analysis of protein expression changes in patients with prediabetes using proteomics approaches
Authors: Li Huan , Xie Xiaomin , Liu Huili , Zhang Li , Qiang Dan , Li Ling , He Yan Ting , Bai Guirong
Published: December 2022

Rationale

Proteomics and metabolomics are widely used in the study of diabetes, but rarely in prediabetes research. This study aimed to explore the mechanisms of early‐onset type 2 diabetes mellitus (T2DM) by analyzing proteomic changes at different stages of glucose metabolism.

Methods

A total of 40 individuals undergoing routine physical health examinations between December 2016 and April 2017 were enrolled. Subjects were divided into four groups based on fasting blood glucose (FPG) levels: FPG < 5.6 mmol/L (group A); FPG ≥ 5.6 mmol/L and <6.1 mmol/L (group B); FPG ≥ 6.1 mmol/L and <7.0 mmol/L (group C); and FPG ≥ 7.0 mmol/L (group D). Each group had 10 cases. Sera from these 40 subjects were analyzed by label‐free quantitative liquid chromatography coupled with tandem mass spectrometry (LC/MS/MS). LC/MS/MS with selected reaction monitoring mode was also performed for qualitative and quantitative metabolomics analysis. Differentially expressed proteins were identified. Partial least squares discriminant analysis (PLS‐DA) and orthogonal partial least squares discriminant analysis (OPLS‐DA) were used to analyze the differentially expressed metabolites.

Results

A total of 202 differentially expressed proteins were screened and were identified as mainly secreted proteins. Comparing group A with group B, 32 proteins were up‐regulated and 18 proteins were down‐regulated. Comparing group A with group C, 24 proteins were up‐regulated and 24 proteins were down‐regulated. Comparing group A with group D, 19 proteins were up‐regulated and 17 proteins were down‐regulated. The fold change for up‐regulated proteins was >1.2, p < 0.05, while the fold change for down‐regulated proteins was <−1.2, p < 0.05. PLS‐DA and OPLS‐DA revealed 113 differentially expressed metabolites. Correlation analysis of differentially expressed metabolites of group A versus group B revealed that among the down‐regulated differential proteins, transforming growth factor β‐induced protein ig‐h3 correlated negatively with metabolite L‐saccharin, while among the up‐regulated differential proteins, apolipoprotein C‐IV correlated negatively with metabolite 3‐methyloxindole. Among all differentially expressed proteins, 19 proteins were associated with early initiation of chronic inflammation, including CD14 and CSF‐1R, which were newly identified in the early onset of T2DM.

Conclusions

Many proteins are differentially expressed between prediabetes and after T2DM diagnosis, although the specific mechanism remains unclear. The expression level of CD14 was significantly up‐regulated and that of CSF‐1R was significantly down‐regulated when FPG was ≥5.6 mmol/L, suggesting that CD14 and CSF‐1R may be important markers for early‐onset T2DM and may serve as new targets for T2DM treatment.
Fixed‐time control of nonlinear p‐normal systems under saturated threshold event‐triggered mechanism
Authors: Liu Yang , Meng Yanting , Liang Hongjing , Wang Lijie
Published: December 2022

In this article, the saturated threshold event‐triggered (STET) adaptive fixed‐time control problem for a class of nonlinear ‐normal systems with external disturbances is studied. Firstly, a nonsingular fixed‐time controller is designed by adding one power integrator and a smoothing function. Compared with existing fixed‐time control schemes for nonlinear ‐normal systems, the upper bound estimation of settling time is more accurate. Second, an STET control strategy is introduced to reduce the communication burden. Moreover, the influence of external disturbances on the system is inhibited by performance. Through theoretical analysis, it is proved that all states in closed‐loop system converge to origin within a fixed‐time and the Zeno phenomenon is completely circumvented. Simulation results are finally provided to verify the effectiveness of the proposed method.
Robust model‐free adaptive longitudinal flight control for a flapping wing micro air vehicle with wind disturbances
Authors: Yang Zunyao , Hou Zhongsheng , Jin Shangtai
Published: December 2022

In this paper, two robust model‐free adaptive control (RMFAC) methods are proposed for a nonlinear flapping wing micro air vehicle (FWMAV) subject to measurable and unmeasurable wind disturbances. Firstly, a novel disturbance‐related full‐form dynamic linearization technique (DFFDL) is developed to transform the FWMAV with measurable disturbances into a dynamic linearization data model. Then, a DFFDL based RMFAC method is designed based on the obtained data model for the FWMAV to suppress the wind disturbances. Next, the stability analysis shows that the system output tracking error converges into a bounded range. And the above result is extended to the case of unmeasurable disturbances. Finally, the simulation comparison results demonstrate the effectiveness of two proposed RMFAC methods.
Phase Change Thermal Energy Storage Enabled by an In Situ Formed Porous TiO2
Authors: Liu Qingyi , Xiao Tong , Zhao Jiateng , Sun Wenjie , Liu Changhui
Published: December 2022

Uneven and insufficient encapsulation caused by surface tension between supporting and phase change materials (PCMs) can be theoretically avoided if the encapsulation process co‐occurs with the formation of supporting materials in the same environment. Herein, for the first time, a one‐pot one‐step (OPOS) protocol is developed for synthesizing TiO2‐supported PCM composite, in which porous TiO2 is formed in situ in the solvent of melted PCMs and directly produces the desired thermal energy storage materials with the completion of the reaction. The preparation features straightforward operation and high environmental metrics with no emission, requires only stirring and heating without the addition of organic solvent or catalyst. Moreover, the preparation process can be easily scaled‐up at the laboratory. Because of the OPOS protocol and porous TiO2 inside, the as‐obtained PCM composite possesses a 66.5% encapsulation ratio and 166.8% thermal conductivity enhancement compared to pristine unsupported PCMs, with 94.7% light‐to‐thermal conversion efficiency and promising bacterial inhibition activity without any leakage.
Phase Transition of MoTe2 Controlled in van der Waals Heterostructure Nanoelectromechanical Systems
Authors: Ye Fan , Islam Arnob , Wang Yanan , Guo Jing , Feng Philip X.‐L.
Published: December 2022

This work reports experimental demonstrations of reversible crystalline phase transition in ultrathin molybdenum ditelluride (MoTe2) controlled by thermal and mechanical mechanisms on the van der Waals (vdW) nanoelectromechanical systems (NEMS) platform, with hexagonal boron nitride encapsulated MoTe2 structure residing on top of graphene layer. Benefiting from very efficient electrothermal heating and straining effects in the suspended vdW heterostructures, MoTe2 phase transition is triggered by rising temperature and strain level. Raman spectroscopy monitors the MoTe2 crystalline phase signatures in situ and clearly records reversible phase transitions between hexagonal 2H (semiconducting) and monoclinic 1T′ (metallic) phases. Combined with Raman thermometry, precisely measured nanomechanical resonances of the vdW devices enable the determination and monitoring of the strain variations as temperature is being regulated by electrothermal control. These results not only deepen the understanding of MoTe2 phase transition, but also demonstrate a novel platform for engineering MoTe2 phase transition and multiphysical devices.
En Route to High‐Density Chiral Single‐walled Carbon Nanotube Arrays using Solid Trojan Catalysts
Authors: Liu Dayan , Xiang Kai , Zhang Shuchen , Wang Ying , Zhang Hongjie , Wang Taibin , Yang Feng , Du Ran , Qian Jinjie , Yang Zhi , Hu Yue , Huang Shaoming
Published: December 2022

Solid catalyst is widely recognized as an effective strategy to control the chirality of single‐walled carbon nanotubes (SWNTs). However, it is still not compatible with high density in horizontal arrays. “Trojan” catalysts strategy is one of the most effective methods to realize SWNTs with high density and has great potential in chirality control. Here, the co‐realization of high density and chirality controlling for SWNTs in a low‐temperature growth process is reported based on the developed solid “Trojan” catalyst. High temperature “Trojan” catalyst formation process provides sufficient catalyst number to acquire high density. These liquid “Trojan” catalysts are cooled to solid state by adopting low growth temperature (540 °C), which can be good template to realize the chirality controlling of SWNTs with exposing six‐fold symmetry face, (111). Finally, (9, 6) and (13, 1) SWNTs enriched horizontal array with the purity of ≈90% and density of 4 tubes µm−1 is realized. The comparison between the distribution of initial catalysts and the density of as‐grown tubes indicates no sacrificing on catalysts number to improve chirality selectivity. This work opens a new avenue on the catalyst's design and chirality controlling in SWNTs growth.
Retrieving Grain Boundaries in 2D Materials
Authors: Yu Maolin , Hu Zhili , Zhou Jingzhuo , Lu Yang , Guo Wanlin , Zhang Zhuhua
Published: December 2022

The coalescence of randomly distributed grains with different crystallographic orientations can result in pervasive grain boundaries (GBs) in 2D materials during their chemical synthesis. GBs not only are the inherent structural imperfection that causes influential impacts on structures and properties of 2D materials, but also have emerged as a platform for exploring unusual physics and functionalities stemming from dramatic changes in local atomic organization and even chemical makeup. Here, recent advances in studying the formation mechanism, atomic structures, and functional properties of GBs in a range of 2D materials are reviewed. By analyzing the growth mechanism and the competition between far‐field strain and local chemical energies of dislocation cores, a complete understanding of the rich GB morphologies as well as their dependence on lattice misorientations and chemical compositions is presented. Mechanical, electronic, and chemical properties tied to GBs in different materials are then discussed, towards raising the concept of using GBs as a robust atomic‐scale scaffold for realizing tailored functionalities, such as magnetism, luminescence, and catalysis. Finally, the future opportunities in retrieving GBs for making functional devices and the major challenges in the controlled formation of GB structures for designed applications are commented.
Partial Sulphidation to Regulate Coordination Structure of Single Nickel Atoms on Graphitic Carbon Nitride for Efficient Solar H2 Evolution
Authors: Wang Guanchao , Ma Ying , Zhang Ting , Liu Yuefeng , Wang Baojun , Zhang Riguang , Zhao Zhongkui
Published: December 2022

To develop a non‐precious highly efficient cocatalyst to replace Pt on graphitic carbon nitride (g‐C3N4) for solar H2 production is great significant, but still remains a huge challenge. The emerging single‐atom catalyst presents a promising strategy for developing highly efficient non‐precious cocatalyst owing to its unique adjustability of local coordination environment and electronic structure. Herein, this work presents a facile approach to achieve single Ni sites (Ni1‐N2S) with unique local coordination structure featuring one Ni atom coordinated with two nitrogen atoms and one sulfur atom, confirmed by high‐angle annular dark‐field scanning transmission electron microscopy, X‐ray absorption spectroscopy, and density functional theory calculation. Thanks to the unique electron structure of Ni1‐N2S sites, the 1095 µmol g−1 h−1 of high H2 evolution rate with 4.1% of apparent quantum yield at 420 nm are achieved. This work paves a pathway for designing a highly efficient non‐precious transition metal cocatalyst for photocatalytic H2 evolution.
Triple Stimuli‐Responsive Flexible Shape Memory Foams with Super‐Amphiphilicity
Authors: Ding Xinyun , Shi Yunan , Xu Shijie , Zhang Yukun , Du Jiang , Qiu Jun
Published: December 2022

Highly porous multi‐responsive shape memory foams have unique advantages in designing 3D materials with lightweight for varied applications. Herein, a facile and efficient approach to fabricating a thermo‐, electro‐, and photo‐responsive shape memory composite foam is demonstrated. A specific multi‐step carbonization protocol is adopted for transforming commercial melamine sponge (MS) to highly porous carbon foam (CF) with robust elastic resilience, efficient electrothermal/photothermal conversions, and super‐amphiphilicity. It is a novel proposal for CF to take the dual role of the elastic supporting framework and 3D energy conversion/transmission network without any functional fillers. The composite foam cPCL@CF incorporates the CF skeleton with in situ crosslinked polycaprolactone (PCL) layers, which exhibits high conductivity (≈140 S m−1) and excellent light absorption (≈97.7%) in the range of 250–2500 nm. By triggering the crystalline transition of PCL, the composite foam displays sensitive electro‐ and photo‐induced shape memory effect (SME) with outstanding shape fixation ratio (Rf) and recovery ratio (Rr). Thanks to the super‐amphiphilicity and high electrical conductivity, the cPCL@CF composite foam can give rapid and distinguishable electric signals upon tiny drips of salt solutions or lithium‐ion battery (LIB) electrolytes, making it a new type of sensor for detecting electrolyte leakage.
Synergistic Effect of Surface p‐Doping and Passivation Improves the Efficiency, Stability, and Reduces Lead Leakage in All‐Inorganic CsPbIBr2‐Based Perovskite Solar Cells
Authors: He Jian , Wang Qingrui , Xu Yumeng , Guo Xing , Zhou Long , Su Jie , Lin Zhenhua , Zhang Jincheng , Hao Yue , Chang Jingjing
Published: December 2022

Wide‐bandgap inorganic cesium lead halide CsPbIBr2 is a popular optoelectronic material that researchers are interested in because of the character that balances the power conversion efficiency and stability of solar cells. It also has great potential in semitransparent solar cells, indoor photovoltaics, and as a subcell for tandem solar cells. Although CsPbIBr2‐based devices have achieved good performance, the open‐circuit voltage (Voc) of CsPbIBr2‐based perovskite solar cells (PSCs) is still lower, and it is critical to further reduce large energy losses (Eloss). Herein, a strategy is proposed for achieving surface p‐type doping for CsPbIBr2‐based perovskite for the first time, using 1,5‐Diaminopentane dihydroiodide at the perovskite surface to improve hole extraction efficiency. Meanwhile, the adjusted energy levels reduce Eloss and improve Voc of the CsPbIBr2 PSCs. Furthermore, the Cs‐ and Br‐vacancies at the interface are filled, reducing structural disorder and defect states and thus improving the quality of the perovskite film. As a result, the target device achieves a high efficiency of 11.02% with a Voc of 1.33 V, which is among the best values. In addition to the improved performance, the stability of the target device under various conditions is enhanced, and the lead leakage is effectively suppressed.
Gradient‐Structured Ceramics with High Energy Storage Performance and Excellent Stability
Authors: Yan Fei , Ge Guanglong , Qian Jin , Lin Jinfeng , Chen Chukai , Liu Zhifu , Zhai Jiwei
Published: December 2022

Owing to the high power density, eco‐friendly, and outstanding stability, the lead‐free ceramics have attracted great interest in the fields of pulsed power systems. Nevertheless, the low energy storage density of such ceramics is undoubtedly a severe problem in practical applications. To overcome this limitation, the lead‐free ceramics with gradient structures are designed and fabricated using the tape‐casting method herein. By optimizing the composition and distribution of the gradient‐structured ceramics, the energy storage density, and efficiency can be improved simultaneously. Under a moderate electric field of 320 kV cm−1, the value of recoverable energy storage density (Wrec) is higher than 4 J cm−3, and the energy storage efficiency (η) is of ≥88% for 20‐5‐20 and 20‐10‐20. Furthermore, the gradient‐structured ceramics of 20‐10‐0‐10‐20 and 20‐15‐0‐15‐20 possess high applied electric field, large maximum polarization, and small remnant polarization, which give rise to ultrahigh Wrec and η on the order of ≈6.5 J cm−3 and 89–90%, respectively. In addition, the energy storage density and efficiency also exhibit excellent stability over a broad range of frequencies, temperatures, and cycling numbers. This work provides an effective strategy for improving the energy storage capability of eco‐friendly ceramics.