bluuebunny/crossref_metadata_2025 huggingface dataset:
GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations
Authors: Zhao Mingtian , Kognole Abhishek A. , Jo Sunhwan , Tao Aoxiang , Hazel Anthony , MacKerell Alexander D.
Published: April 2023

The Grand Canonical Monte Carlo (GCMC) ensemble defined by the excess chemical potential, μex, volume, and temperature, in the context of molecular simulations allows for variations in the number of particles in the system. In practice, GCMC simulations have been widely applied for the sampling of rare gasses and water, but limited in the context of larger molecules. To overcome this limitation, the oscillating μex GCMC method was introduced and shown to be of utility for sampling small solutes, such as formamide, propane, and benzene, as well as for ionic species such as monocations, acetate, and methylammonium. However, the acceptance of GCMC insertions is low, and the method is computationally demanding. In the present study, we improved the sampling efficiency of the GCMC method using known cavity‐bias and configurational‐bias algorithms in the context of GPU architecture. Specifically, for GCMC simulations of aqueous solution systems, the configurational‐bias algorithm was extended by applying system partitioning in conjunction with a random interval extraction algorithm, thereby improving the efficiency in a highly parallel computing environment. The method is parallelized on the GPU using CUDA and OpenCL, allowing for the code to run on both Nvidia and AMD GPUs, respectively. Notably, the method is particularly well suited for GPU computing as the large number of threads allows for simultaneous sampling of a large number of configurations during insertion attempts without additional computational overhead. In addition, the partitioning scheme allows for simultaneous insertion attempts for large systems, offering considerable efficiency. Calculations on the BK Channel, a transporter, including a lipid bilayer with over 760,000 atoms, show a speed up of ~53‐fold through the use of system partitioning. The improved algorithm is then combined with an enhanced μex oscillation protocol and shown to be of utility in the context of the site‐identification by ligand competitive saturation (SILCS) co‐solvent sampling approach as illustrated through application to the protein CDK2.
Laboratory diagnosis of heparin‐induced thrombocytopenia: A retrospective experience
Authors: Herb Agathe , Depierreux Mathilde , Wimmer Jordan , Rolland Delphine , Tebacher Martine , Lambert Aude , Ladhari Chayma , Cristinar Mircea , Delabranche Xavier , Krummel Thierry , Paya Dominique , Schenck Maleka , Mauvieux Laurent , Sattler Laurent
Published: April 2023

Background

Heparin‐induced thrombocytopenia (HIT) is a severe complication of heparin therapy associated with thrombosis that requires a quick diagnosis. Therefore, laboratory assays must provide an accurate and swift answer. This work aims to evaluate the performances of an ELISA assay, especially when combined with 4T risk score, and a functional assay.

Methods

Data were collected for 894 patients treated by heparin who underwent anticoagulant switch because of HIT suspicion and were examined by a multidisciplinary expert team who confirmed or ruled out HIT diagnosis. All patients were tested for anti‐PF4 IgG with Asserachrom HPIA IgG (ELISA), and 307 were tested with a platelet aggregation test done on platelet‐rich plasma (PRP‐PAT). The 4T risk score was available for 607 of them.

Results

HIT was diagnosed in 232 patients. 4T risk score had a 94.2% negative predictive value (NPV) for risk scores ≤3 and 77.3% for risk scores ≤5. The sensitivity of ELISA was 90.9%, its specificity 79.0%, and its NPV 96.1%. When combined with 4T risk score, its NPV reached 100% and 97% for risk scores ≤3 and ≤5, respectively. PRP‐PAT sensitivity was 70.4%, and its specificity was 92.3%. Combination of ELISA and PRP‐PAT had a 0.7% false‐negative rate.

Conclusion

This study shows that ELISA can rule out HIT with an excellent NPV, especially when combined with the 4T risk score. Nonetheless, it has low specificity; hence, it needs to be associated with a functional assay.
A scoping review of the structuring of questions about sexual orientation and gender identity
Authors: Young Sarah K. , Bond Meg A.
Published: April 2023

The purpose of this scoping review is to map the extent of the current research on how to best structure questions asking respondents to self‐identify their sexual orientation and gender identity and to ascertain what further issues about measurement need to be explored. Using the Arksey and O'Malley framework for scoping reviews, 52 articles describing primary research about how to structure sexual orientation and gender identity (SOGI) questions, published in the years 2000–2021, were identified and analyzed. The domain of sexuality being asked about (e.g., self‐label vs. behavior) needs to be clarified, and gender identity should be asked through a multipart item differentiating current identity from the sex assigned at birth. The terms used in the response options should be defined and may vary based on the study population or context. Contrary to expectations given the wide range of question formats currently being used in the field, there is considerable consensus around the basic tenets for structuring questions designed to assess SOGI dimensions.
Design, synthesis, and anti‐breast cancer activity evaluation of endoperoxide‐type pyrido/pyrrolo[2,3‐d]pyrimidine derivatives
Authors: Song Yu‐Yang , Xia Kai , Wu Xiao‐Qiang , Zeng Chang‐Guang , Tang Shu‐Ai , Yuan Yue , Gui Yu‐Ting , Zhang Xiao‐Han , Zhong Hang
Published: April 2023

Cyclin‐dependent kinase 4 and 6 (CDK 4/6) overactivation in breast cancer cells has given birth to the successful development of CDK 4/6 inhibitors. Based on the intrinsic relationship of CDK 4/6 and cyclin D, we designed and synthesized a series of endoperoxide‐type pyrido/pyrrolo[2,3‐d]pyrimidine derivatives via extracting active fragments from canonical CDK 4/6 inhibitors and endoperoxide‐type natural products such as artemisinin and plakortin. Eleven novel endoperoxide‐type hybrids were synthesized and characterized by mass spectrometry (MS), high resolution mass spectrometry (HRMS), infrared spectroscopy (IR), hydrogen‐1 nuclear magnetic resonance (1H NMR), and carbon‐13 nuclear magnetic resonance (13C NMR) data. Antiproliferative activities and CDK 4/6 inhibitory effects of target compounds were evaluated via T47D, MDA‐MB‐436 breast cancer cell lines, and CDK6/cyclin D3 kinase respectively. The results showed that S1 and Y7 were the most potent compounds against CDK6/cyclin D3 kinase, with Half maximal inhibitory concentration (IC50) values of 0.126 ± 0.022 and 0.109 ± 0.007 μM respectively, they were about a half or third as potent as positive control palbociclib (0.045 μM). The antiproliferative effects of S2 were close to positive controls palbociclib and ribociclib, with Growth inhibitory dose 50% (GI50) values of 8.42 ± 0.93 and 18.74 ± 1.78 μM towards T47D cells and MDA‐MB‐436 cells respectively. Finally, antiproliferative activities against MCF‐10A cells indicated that our newly synthesized compounds were harmless to normal human mammary epithelial cells.
Categorising households based on shock severity experience: The effects of remittances on consumption smoothing post‐shock in Nigeria
Authors: Otame Lucky
Published: April 2023

Existing literature suggests that remittances can help households in developing countries cope with post‐shock consumption. Focusing on Nigeria, where remittance receipts reached $25B in 2018 with increasing incidences of shocks, this study puts this claim to the test by categorising households into two: the group that suffered the most severe shock types and the group that suffered less severe shock types. Data is sourced from the World Bank and linearised regression results indicate that remittances benefit households that experienced less severe shocks than households that experienced the most severe shocks in their post‐shock consumption. Establishing a discriminatory financial market in favours of shock‐affected households is desirable to aid them in coping with post‐shock consumption.
Effect of screw speed, temperature and moisture on physicochemical properties of corn gluten meal extrudate
Authors: Xu Miaojie , Zhang Xinrui , Zhang Yingying , Wang Jieru , Li Juyang , Hu Yayun , Cao Shan , Luan Guangzhong
Published: April 2023

Background

Corn gluten meal (CGM) is the main by‐product of corn starch with rich protein and dietary fiber. The extrusion of CGM with a twin‐screw extruder aimed to expand the novel utilization of this plant‐protein resource. The impacts of screw speed, extrusion temperature, and material moisture on physicochemical properties of the extrudates were assessed.

Results

The microstructure depicted a favorable fiber‐like structure formed under screw speed 120–150 rpm, extrusion temperature 140–150 °C, and material moisture 40–45%. Expansion ratio, rehydration ratio, water solubility index, hardness, and chewiness increased until screw speed reached 120 rpm. With accelerating extrusion temperature, these indicators showed an overall increasing trend. As for material moisture, expansion ratio, hardness, and chewiness showed a decreasing trend. Sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS‐PAGE) showed that disulfide bonds were necessary for protein crosslinking during extrusion.

Conclusion

It can be concluded that CGM is extrudable, whose textural and physicochemical properties vary as functions of the extruding parameters, providing diversity for its potential applications. © 2023 Society of Chemical Industry.
Local pupil swim in Virtual‐ and Augmented‐Reality: Root cause and perception model
Authors: Jia Jerry , Chan Tsz Tai , Lian Trisha , Rio Kevin W.
Published: April 2023

The optics between display and human eye in a typical VR/AR headmounted display (HMD) can introduce a common visual defect ‐ local pupil swim (also called local ripples or “orange peel” effect), where virtual content distorts locally with head movement. Compact optical design (such as pancake optics) is increasingly sensitive in design and manufacturing tolerance to this perceptual effect. This work provides a method to root cause and quantify the impact based on perceptual modeling, optics simulation, and measurement.
Bone marrow mesenchymal stem cell‐derived exosomes miR‐202‐5p inhibited pyroptosis to alleviate lung ischemic‐reperfusion injury by targeting CMPK2
Authors: Sun Zhi‐Lu , You Ting , Zhang Bi‐Hong , Liu Yu , Liu Jing
Published: April 2023

Bone mesenchymal stem cell‐derived exosome (BMSC‐exosome) is a potential candidate for lung ischemia–reperfusion injury (LIRI) treatment. This study aims to investigate the anti‐pyroptosis effect of BMSC‐exosomes in LIRI. The LIRI cell model was established by hypoxia/reoxygenation (H/R) treatment. Interleukin (IL)‐1β and IL‐18 levels were examined by enzyme‐linked immunosorbent assay. Cell viability was assessed by 3‐(4,5‐dimethylthiazol‐2‐yl)‐2, 5‐diphenyltetrazolium bromide assay. Lactate dehydrogenase (LDH) release was examined using a LDH assay kit. The interaction between microRNA (miR)‐202‐5p and cytidine monophosphate kinase 2 (CMPK2) was analyzed using dual‐luciferase reporter assay and RNA immunoprecipitation. BMSC‐exosomes promoted cell viability and suppressed pyroptosis in H/R‐treated mouse lung epithelial. miR‐202‐5p was enriched in BMSC‐exosomes, and exosomal miR‐202‐5p inhibition upregulated pyroptosis‐associated proteins, including cleaved N‐terminal Gasdermin D, nucleotide‐binding domain‐like receptor family member pyrin domain‐containing protein 3, and Caspase1. Meanwhile, miR‐202‐5p suppressed CMPK2 expression by directly targeting CMPK2. Expectedly, CMPK2 knockdown reversed the promoting effect of exosomal miR‐202‐5p inhibition on pyroptosis in LIRI. Therefore, BMSC‐derived exosome miR‐202‐5p repressed pyroptosis to inhibit LIRI progression by targeting CMPK2.
Easily Scalable Photonic Tensor Core Based on Tunable Units with Single Internal Phase Shifters
Authors: Huang Ying , Yue Hengsong , Ma Wei , Zhang Yiyuan , Xiao Yao , Wang Weiping , Tang Yong , Hu Xiaoyan , Tang He , Chu Tao
Published: April 2023

Photonic neural networks (PNNs) show tremendous potential for artificial intelligence applications due to their higher computational rates than their traditional electronic counterpart. However, the scale‐up of PNN relies on the number of cascaded computing units, which is limited by the accumulated transmission attenuation. Here, a topology of PNN with Mach–Zehnder interferometers based on a single‐tuned phase shifter that implements arbitrary nonnegative or real‐valued matrices for vector‐matrix multiplication is proposed. Compared with the universal matrix mesh, the new configuration exhibits two orders of magnitude lower optical path loss and a twofold reduction in the number of the tunable phase shifter. An 8 × 8 reconfigurable chip is designed and fabricated, and it is experimentally verified that the 2 × 4 nonnegative‐valued matrix and the 2 × 2 real‐valued matrix are implemented in the proposed topology. Higher than 85% inference accuracies are obtained in the Modified National Institute of Standards and Technology handwritten digit recognition tasks with these matrices in the PNNs. Therefore, with much lower optical path loss and comparable computing accuracy, the proposed PNN configuration can be easily scaled up to tackle higher dimensional matrix multiplication, which is highly desired in tasks like voice and image recognition.
On topological and combinatorial structures of pointed stable curves over algebraically closed fields of positive characteristic
Authors: Yang Yu
Published: April 2023

In this paper, we study anabelian geometry of curves over algebraically closed fields of positive characteristic. Let be a pointed stable curve over an algebraically closed field of characteristic and the admissible fundamental group of . We prove that there exists a group‐theoretical algorithm, whose input datum is the admissible fundamental group , and whose output data are the topological and the combinatorial structures associated with . This result can be regarded as a mono‐anabelian version of the combinatorial Grothendieck conjecture in the positive characteristic. Moreover, by applying this result, we construct clutching maps for moduli spaces of admissible fundamental groups.
Genetic inhibition of glutamate allosteric potentiation of GABAARs in mice results in hyperexcitability, leading to neurobehavioral abnormalities
Authors: Du Yehong , Li Junjie , Wang Maoju , Tian Qiuyun , Pang Yayan , Wen Ya , Wu Dongchuan , Wang Yu Tian , Dong Zhifang
Published: April 2023

The imbalance between neuronal excitation and inhibition (E/I) in neural circuit has been considered to be at the root of numerous brain disorders. We recently reported a novel feedback crosstalk between the excitatory neurotransmitter glutamate and inhibitory γ‐aminobutyric acid type A receptor (GABAAR)‐glutamate allosteric potentiation of GABAAR functions through a direct binding of glutamate to the GABAAR itself. Here, we investigated the physiological significance and pathological implications of this cross‐talk by generating the β3E182G knock‐in (KI) mice. We found that β3E182G KI, while had little effect on basal GABAAR‐mediated synaptic transmission, significantly reduced glutamate potentiation of GABAAR‐mediated responses. These KI mice displayed lower thresholds for noxious stimuli, higher susceptibility to seizures and enhanced hippocampus‐related learning and memory. Additionally, the KI mice exhibited impaired social interactions and decreased anxiety‐like behaviors. Importantly, hippocampal overexpression of wild‐type β3‐containing GABAARs was sufficient to rescue the deficits of glutamate potentiation of GABAAR‐mediated responses, hippocampus‐related behavioral abnormalities of increased epileptic susceptibility, and impaired social interactions. Our data indicate that the novel crosstalk among excitatory glutamate and inhibitory GABAAR functions as a homeostatic mechanism in fine‐tuning neuronal E/I balance, thereby playing an essential role in ensuring normal brain functioning.
Outcomes of an Integrated Multidisciplinary Clinic for People with Functional Neurological Disorder
Authors: Palmer David D.G. , Gamble Mary , Higgins Matthew , Maley Jenny , Watson Eloise
Published: April 2023

Background

Functional neurological disorder (FND) is a disabling condition which has poor prognosis without treatment. This study aimed to evaluate the effectiveness of an outpatient integrated multidisciplinary intervention for the condition.

Objectives

This study aimed to assess the outcomes of a pilot integrated multidisciplinary treatment clinic for FND with motor symptoms.

Methods

Patients were seen simultaneously by a neurology doctor, a physiotherapist, a clinical psychologist, and sometimes a psychiatrist. The primary endpoint was change in quality of life measured by Short Form‐36 (SF‐36). Secondary outcomes were change in work and social participation measured by the Work and Social Adjustment Scale (WSAS), ability to participate in full‐time or part‐time employment, self‐rated understanding of FND, and self‐rated agreement with the diagnosis of FND. Over the year, 13 patients were recruited to the clinic, and 11 agreed to participate in the outcome study.

Results

Statistically significant improvements in quality of life were seen across seven out of eight domains of the SF‐36, with improvements in individual domains of between 23 and 39 points (of a possible 100). Mean Work and Social Adjustment Scale score halved from 26 to 13 (worst possible is 40). Of the 12 patients treated, one began to work again after complete unemployment, and two who had been working reduced hours due to disability resumed full time work. No patients had worsened occupational status.

Conclusions

This intervention is associated with substantial improvements in quality of life and function, and may be more amenable to delivery at non‐specialist centers than other described interventions for FND.
A predator–prey system with prey social behavior and generalized Holling III functional response: Role of predator‐taxis on spatial patterns
Authors: Souna Fethi , Tiwari Pankaj Kumar , Belabbas Mustapha , Menacer Youssaf
Published: April 2023

In this paper, we investigate the intrinsic impact of the predator‐taxis coefficient on the formation of spatial patterns in a predator–prey system with prey social behavior subject to Neumann boundary conditions. By treating the predator‐taxis coefficient as a potential critical parameter for Turing bifurcation, we observe that the Turing pattern is fully captured by three distinct critical thresholds. Meanwhile, utilizing weakly nonlinear analysis and the amplitude equation, we establish the direction of Turing bifurcation. Our mathematical analysis reveals that the inclusion of the predator‐taxis coefficient in the predator–prey system may lead to the emergence of either subcritical or supercritical Turing bifurcation. Our numerical experiments confirm the theoretical findings and exhibit various spatial patterns with different values of predator‐taxis coefficients.
Adaptive Fourier decomposition‐type sparse representations versus the Karhunen–Loève expansion for decomposing stochastic processes
Authors: Qian Tao , Zhang Ying , Liu Wanquan , Qu Wei
Published: April 2023

The present study devotes to introducing and analyzing the use of the adaptive Fourier decomposition (AFD)‐type methods in the area of stochastic processes and random fields. We involve two types of algorithms, namely, stochastic AFD (SAFD) and stochastic pre‐orthogonal AFD (SPOAFD), for, respectively, the Hardy space format and non‐Hardy space ones, as may be regarded. We provide both their theoretical results and practical algorithms and compare them with the well adopted and, in fact, dominating Karhunen–Loève (KL)‐type expansions. The AFD methods involve a finite or infinite sequence of optimally chosen parameters; they, in contrast, do not rely on and hence not have to compute the eigenpairs of the second type Fredholm integral equation with the covariance function as the kernel. Apart from such computational conveniences, they with the same convergence rate have flexibility of choosing best suitable dictionaries for doing the specific task in the practice. We include a number of experiments showing that in terms of effectiveness, the AFD methods give better approximations before all the positive eigenvalues running out in the case the integral operator being of a finite rank or before the KL iteration step becomes excessively large: The AFD methods normally give better approximations from the very beginning of the iterations.
Parametric cerebral blood flow and arterial transit time mapping using a 3D convolutional neural network
Authors: Kim Donghoon , Lipford Megan E. , He Hongjian , Ding Qiuping , Ivanovic Vladimir , Lockhart Samuel N. , Craft Suzanne , Whitlow Christopher T. , Jung Youngkyoo
Published: April 2023

Purpose

To reduce the total scan time of multiple postlabeling delay (multi‐PLD) pseudo‐continuous arterial spin labeling (pCASL) by developing a hierarchically structured 3D convolutional neural network (H‐CNN) that estimates the arterial transit time (ATT) and cerebral blow flow (CBF) maps from the reduced number of PLDs as well as averages.

Methods

A total of 48 subjects (38 females and 10 males), aged 56–80 years, compromising a training group (n = 45) and a validation group (n = 3) underwent MRI including multi‐PLD pCASL. We proposed an H‐CNN to estimate the ATT and CBF maps using a reduced number of PLDs and a separately reduced number of averages. The proposed method was compared with a conventional nonlinear model fitting method using the mean absolute error (MAE).

Results

The H‐CNN provided the MAEs of 32.69 ms for ATT and 3.32 mL/100 g/min for CBF estimations using a full data set that contains six PLDs and six averages in the 3 test subjects. The H‐CNN also showed that the smaller number of PLDs can be used to estimate both ATT and CBF without significant discrepancy from the reference (MAEs of 231.45 ms for ATT and 9.80 mL/100 g/min for CBF using three of six PLDs).

Conclusion

The proposed machine learning–based ATT and CBF mapping offers substantially reduced scan time of multi‐PLD pCASL.
Evaluation of contributors to amide proton transfer–weighted imaging and nuclear Overhauser enhancement–weighted imaging contrast in tumors at a high magnetic field
Authors: Cui Jing , Zhao Yu , Sun Casey , Xu Junzhong , Zu Zhongliang
Published: April 2023

Purpose

The purpose is to evaluate the relative contribution from confounding factors (T1 weighting and magnetization transfer) to the CEST ratio (CESTR)–quantified amide proton transfer (APT) and nuclear Overhauser enhancement (NOE) (−3.5) in tumors as well as whether the CESTR can reflect the distribution of the solute concentration (fs).

Methods

We first provided a signal model that shows the separate dependence of CESTR on these confounding factors and the clean CEST/NOE effects quantified by an apparent exchange‐dependent relaxation (AREX) method. We then measured the change in these effects in the 9‐L tumor model in rats, through which we calculated the relative contribution of each confounding factor. fs was also fitted, and its correlations with the CESTR and AREX were assessed to evaluate their capabilities to reflect fs.

Results

The CESTR‐quantified APT shows “positive” contrast in tumors, which arises primarily from R1w at low powers and both R1w and magnetization transfer at high powers. CESTR‐quantified NOE (−3.5) shows no or weak contrast in tumors, which is due to the cancelation of R1w and NOE (−3.5), which have opposite contributions. CESTR‐quantified APT has a stronger correlation with APT fs than AREX‐quantified APT. CESTR‐quantified NOE (−3.5) has a weaker correlation with NOE (−3.5) fs than AREX‐quantified NOE (−3.5).

Conclusion

CESTR reflects a combined effect of T1 weighting and CEST/NOE. Both factors depend on fs, which contributes positively to the dependence of CESTR on fs in APT imaging and enhances its correlation with fs. In contrast, these factors have opposite contributions to its dependence on fs in NOE (−3.5) imaging, thereby weakening the correlation.
Economical preparation of fluorine‐containing thermoplastic elastomer with good phase miscibility and elasticity based on dynamic vulcanization
Authors: Zhao Yongsheng , Xiong Youhao , Yan Haonan , Bi Hongzhe , Qin Jianbin , Shi Xuetao , Zhang Guangcheng
Published: April 2023

Thermoplastic elastomers are a green and sustainable category of high performance polymers and show the great advantage of easy processability relative to conventional rubbers. In this work, a fluorine‐containing thermoplastic elastomer was prepared through dynamic crosslinking of poly(vinylidene fluoride)/poly(ethylene−methyl acrylate−glycidyl methacrylate) (PVDF/EGMA) blends with the aid of amino‐terminated crosslinker (KH602). The reaction kinetics of EGMA with KH602 were evaluated by the DSC Kissinger method with an activation energy (Ea) of 103.04 kJ mol−1. The increased ‘S‐type’ torque curve during dynamic crosslinking indicates the occurrence of chemical crosslinking while Fourier transform infrared spectra further demonstrate the dehydrofluorination of PVDF and the reaction between the amino group of KH602 and the epoxy group in EGMA. The prepared PVDF/EGMA (30/70) thermoplastic vulcanizate shows good reprocessability, mechanical robustness and elasticity. With increasing content of crosslinker, the stress at 300% increases from 2.3 MPa to 3.5 MPa while elongation at break decreases from 1150% to 380%. The PVDF/EGMA blend has a typical ‘sea‐island’ morphology with ca 7 μm dispersed phase while PVDF/EGMA thermoplastic vulcanizates have gradually elongated disperse phases due to improved interfacial miscibility as evidenced by quantitative nanomechanical mapping AFM modulus analysis. Therefore, dynamic vulcanization is an effective and economical approach to integrate thermoplasticity and rubber elasticity into plastic/rubber pairs with good phase miscibility. © 2023 Society of Industrial Chemistry.
Tough, self‐healing double network hydrogels crosslinked via multiple dynamic non‐covalent bonds for strain sensor
Authors: Huang Guohui , Wang Pei , Cai Yutian , Jiang Kun , Li Huimin
Published: April 2023

Double‐network hydrogels have outstanding mechanical characteristics but mostly suffer from poor self‐healing performance since most hydrogels are chemically crosslinked via covalent links for each network. In this work, a tough and self‐healing double network hydrogel with multiple dynamic non‐covalent bonds is developed by combining the hydrophobically modified polyacrylamide (HPAM) with a thermally reversible potassium ion crosslinked κ‐carrageenan (K+C) network through a dual physical crosslinked network strategy. Being the multiple dynamic non‐covalent bond interactions and dual physical crosslink networks, the K+C/HPAM DN hydrogel exhibits excellent mechanical characteristics (tensile strength: 1.86 MPa, tensile strain: 1637%) and good self‐healing ability (maximum stress self‐healing efficiency: 87%, maximum tensile strength after self‐healing: 0.95 MPa). Due to the three‐dimensional pore structure and the conductive ions in the system, the K+C/HPAM DN hydrogel also achieves good strain sensing capabilities with a strain sensitivity of 2.98 (gauge factor, GF) in the 100% strain range. Even after being cut and self‐healed, the gel still exhibits good strain sensing capabilities (GF = 2.79), which is still better than the most similar DN hydrogel strain sensors in sensitivity. We believe this work offers a new material for self‐healing flexible strain sensors.
Time to take the heat out of gout
Authors: Thompson Angus
Published: April 2023

Gout is a condition that has been recognised for centuries but management is still often suboptimal. Angus Thompson explains how increasing patients’ understanding of the condition and its treatment can help improve outcomes.
ARD‐VO: Agricultural robot data set of vineyards and olive groves
Authors: Crocetti Francesco , Bellocchio Enrico , Dionigi Alberto , Felicioni Simone , Costante Gabriele , Fravolini Mario L. , Valigi Paolo
Published: April 2023

The availability of real‐world data in agricultural applications is of paramount importance to develop robust and effective robotic‐based solutions for farming operations. In this application context, however, very few data sets are available to the community and for some important crops, such as grapes and olives, they are almost absent. Therefore, the aim of this paper is to introduce and release ARD‐VO, a data set for agricultural robotics applications focused on vineyards and olive cultivations. Its main purpose is to provide the researchers with a real‐world extensive set of data to support the development of solutions and algorithms for precision farming technologies in the aforementioned crops. ARD‐VO has been collected with an unmanned ground vehicle (UGV) equipped with different heterogeneous sensors that capture information essential for robot localization and plant monitoring tasks. It is composed of sequences gathered in 11 experimental sessions between August and October 2021, navigating the UGV for several kilometers in four cultivation fields in Umbria, a central region of Italy. In addition, to highlight the utility of ARD‐VO, two application case studies are presented. In the first one, the data set is used to compare the performance of simultaneous localization and mapping and odometry estimation methods using vision systems, light detection and ranging, and inertial measurement unit sensors. The second one shows how the multispectral images included in ARD‐VO can be used to compute Normalized Difference Vegetation Index maps, which are crucial to monitor the crops and build prescription maps.
Sustainable developments, renewable energy, and economic growth in Canada
Authors: Chen Yiyang , Mamon Rogemar , Spagnolo Fabio , Spagnolo Nicola
Published: April 2023

The object of this paper is to investigate the dynamic causal relationship between economic growth and renewable energy in Canada. The causal relationship is examined under the neoclassical production function framework. We employed a panel autoregressive distributed lag model controlling for different states of the economy by incorporating a dummy variable, which indicates the economic peak and trough. The data set consists of annual real GDP, capital formation, labor, and electricity generation by renewables for nine Canadian provinces covering from 1981 to 2015. The empirical results find that there is a unidirectional causality from renewable energy to economic growth in the long run. In the short run, a unidirectional causality going from renewable energy to economic growth only during the expansion period is observed. Our study suggests that renewable energy policies should be designed and implemented in a way that takes into account the nonlinear relationship between renewable energy and economic growth. This could involve promoting the development and deployment of renewable energy sources as part of their economic stimulus packages during economic upturns.
XPS insights: Asymmetric peak shapes in XPS
Authors: Morgan David J.
Published: April 2023

The misinterpretation of peak asymmetry as higher oxidation states in x‐ray photoelectron spectroscopy (XPS) is regretfully all too common. This XPS Insight note introduces the theory of peak asymmetry in x‐ray photoelectron spectra and such asymmetry is discussed for a range of different classes of materials to afford analysts a more informed view of their spectra.
Sample size considerations for micro‐randomized trials with binary proximal outcomes
Authors: Cohn Eric R. , Qian Tianchen , Murphy Susan A.
Published: April 2023

Micro‐randomized trials (MRTs) are a novel experimental design for developing mobile health interventions. Participants are repeatedly randomized in an MRT, resulting in longitudinal data with time‐varying treatments. Causal excursion effects are the main quantities of interest in MRT primary and secondary analyses. We consider MRTs where the proximal outcome is binary and the randomization probability is constant or time‐varying but not data‐dependent. We develop a sample size formula for detecting a nonzero marginal excursion effect. We prove that the formula guarantees power under a set of working assumptions. We demonstrate via simulation that violations of certain working assumptions do not affect the power, and for those that do, we point out the direction in which the power changes. We then propose practical guidelines for using the sample size formula. As an illustration, the formula is used to size an MRT on interventions for excessive drinking. The sample size calculator is implemented in R package MRTSampleSizeBinary and an interactive R Shiny app. This work can be used in trial planning for a wide range of MRTs with binary proximal outcomes.
Facile Synthesis of SiOx/C Composite with Homogeneous Distribution of SiOx and Carbon as Anodes for Superior Lithium‐Ion Batteries
Authors: Ling Yang , Peng Yan , Guan Shiyou
Published: April 2023

SiOx/C composites with uniform distribution of silicon oxide (SiOx) and carbon are promising anodes for lithium‐ion batteries. However, designing the SiOx/C composites with uniformly dispersed of carbon at nanoscale and controllable carbon content is still a challenge. Herein, a series of SiOx/C composites with uniform carbon distribution were prepared by sol‐gel method and subsequent pyrolysis process, the carbon content can be easily adjusted just by selecting different organosilanes. Due to the uniformly dispersed of carbon at nanoscale, the obtained products showed the excellent energy storage performance. Particularly, when Bis(triethoxysilyl)benzene (BTEB) was used as the raw materials, due to the appropriate carbon content, the SiOx/C−B exhibited a high reversible capacity of 535 mAh g−1 at 0.1 A g−1 over 100 cycles. The cycle stability is preserved even after 300 cycles at a high current density of 1.0 A g−1, where the electrodes still supply a specific capacity of 389.7 mAh g−1.
Improved Stability of CsBi3I10 Based Pb‐Free Perovskite Solar Cells
Authors: Ahmad Khursheed , Kumar Praveen , Quasim Khan Mohammad , Alsulmi Ali , Kim Haekyoung
Published: April 2023

In the past few years, lead (Pb2+)‐free perovskite or perovskite‐like materials, in particular bismuth (Bi) based perovskite‐like materials have attracted scientific community because of their excellent aerobic stability, and excellent optoelectronic characteristics. Cesium bismuth iodide (CsBi3I10) is all‐inorganic perovskite‐like material which has low band‐gap (∼1.88 eV) and excellent aerobic stability. In present work, we demonstrated the fabrication of CsBi3I10 based Pb‐free perovskite solar cells (LF‐PSCs) with three different hole‐transport materials (HTM). Spiro‐OMeTAD was found to be more suitable HTM for the fabrication of LF‐PSCs compared to the PTAA or P3HT HTM layers. Further, graphene oxide (GO) was incorporated with spiro‐OMeTAD to enhance the long‐term moisture‐induced stability of the fabricated LF‐PSCs. The best performing LF‐PSCs device exhibited good efficiency of 1.09 % with excellent stability up to 1000 h.
LSPR‐Based Biosensing Enables the Detection of Antimicrobial Resistance Genes
Authors: Kastner Stephan , Dietel Anne‐Kathrin , Seier Florian , Ghosh Shaunak , Weiß Daniel , Makarewicz Oliwia , Csáki Andrea , Fritzsche Wolfgang
Published: April 2023

The development of rapid, simple, and accurate bioassays for the detection of nucleic acids has received increasing demand in recent years. Here, localized surface plasmon resonance (LSPR) spectroscopy for the detection of an antimicrobial resistance gene, sulfhydryl variable β‐lactamase (blaSHV), which confers resistance against a broad spectrum of β‐lactam antibiotics is used. By performing limit of detection experiments, a 23 nucleotide (nt) long deoxyribonucleic acid (DNA) sequence down to 25 nm was detected, whereby the signal intensity is inversely correlated with sequence length (23, 43, 63, and 100 nt). In addition to endpoint measurements of hybridization events, the setup also allowed to monitor the hybridization events in real‐time, and consequently enabled to extract kinetic parameters of the studied binding reaction. Performing LSPR measurements using single nucleotide polymorphism (SNP) variants of blaSHV revealed that these sequences can be distinguished from the fully complementary sequence. The possibility to distinguish such sequences is of utmost importance in clinical environments, as it allows to identify mutations essential for enzyme function and thus, is crucial for the correct treatment with antibiotics. Taken together, this system provides a robust, label‐free, and cost‐efficient analytical tool for the detection of nucleic acids and will enable the surveillance of antimicrobial resistance determinants.
Carbon Nitride Loaded with an Ultrafine, Monodisperse, Metallic Platinum‐Cluster Cocatalyst for the Photocatalytic Hydrogen‐Evolution Reaction
Authors: Yazaki Daichi , Kawawaki Tokuhisa , Hirayama Daisuke , Kawachi Masanobu , Kato Kosaku , Oguchi Sota , Yamaguchi Yuichi , Kikkawa Soichi , Ueki Yoshiya , Hossain Sakiat , Osborn D. J. , Ozaki Fumihiko , Tanaka Shunsuke , Yoshinobu Jun , Metha Gregory F. , Yamazoe Seiji , Kudo Akihiko , Yamakata Akira , Negishi Yuichi
Published: April 2023

For the realization of a next‐generation energy society, further improvement in the activity of water‐splitting photocatalysts is essential. Platinum (Pt) is predicted to be the most effective cocatalyst for hydrogen evolution from water. However, when the number of active sites is increased by decreasing the particle size, the Pt cocatalyst is easily oxidized and thereby loses its activity. In this study, a method to load ultrafine, monodisperse, metallic Pt nanoclusters (NCs) on graphitic carbon nitride is developed, which is a promising visible‐light‐driven photocatalyst. In this photocatalyst, a part of the surface of the Pt NCs is protected by sulfur atoms, preventing oxidation. Consequently, the hydrogen‐evolution activity per loading weight of Pt cocatalyst is significantly improved, 53 times, compared with that of a Pt‐cocatalyst loaded photocatalyst by the conventional method. The developed method is also effective to enhance the overall water‐splitting activity of other advanced photocatalysts such as SrTiO3 and BaLa4Ti4O15.
A Highly Reliable Molybdenum Disulfide‐Based Synaptic Memristor Using a Copper Migration‐Controlled Structure
Authors: Ahn Wonbae , Jeong Han Beom , Oh Jungyeop , Hong Woonggi , Cha Jun‐Hwe , Jeong Hu Young , Choi Sung‐Yool
Published: April 2023

Memristors are drawing attention as neuromorphic hardware components because of their non‐volatility and analog programmability. In particular, electrochemical metallization (ECM) memristors are extensively researched because of their linear conductance controllability. Two‐dimensional materials as switching medium of ECM memristors give advantages of fast speed, low power consumption, and high switching uniformity. However, the multistate retention in the switching conductance range for the long‐term reliable neuromorphic system has not been achieved using two‐dimensional materials‐based ECM memristors. In this study, the copper migration‐controlled ECM memristor showing excellent multistate retention characteristics in the switching conductance range using molybdenum disulfide (MoS2) and aluminum oxide (Al2O3) is proposed. The fabricated device exhibits gradual resistive switching with low switching voltage (<0.5 V), uniform switching (σ/µ ∼ 0.07), and a wide switching range (>12). Importantly, excellent reliabilities with robustness to cycling stress and retention over 104 s for more than 5‐bit states in the switching conductance range are achieved. Moreover, the contribution of the Al2O3 layer to the retention characteristic is investigated through filament morphology observation using transmission electron microscopy (TEM) and copper migration component analysis. This study provides a practical approach to developing highly reliable memristors with exceptional switching performance.
A High‐Energy Asymmetric Supercapacitor Based on Tomato‐Leaf‐Derived Hierarchical Porous Activated Carbon and Electrochemically Deposited Polyaniline Electrodes for Battery‐Free Heart‐Pulse‐Rate Monitoring
Authors: Aziz Md. Abdul , Shah Syed Shaheen , Mahnashi Yaqub Alhussain , Mahfoz Wael , Alzahrani Atif Saeed , Hakeem Abbas Saeed , Shaikh M. Nasiruzzaman
Published: April 2023

A simple and scalable method to fabricate a novel high‐energy asymmetric supercapacitor using tomato‐leaf‐derived hierarchical porous activated carbon (TAC) and electrochemically deposited polyaniline (PANI) for a battery‐free heart‐pulse‐rate monitor is reported. In this study, TAC is prepared by simple pyrolysis, exhibiting nanosheet‐type morphology and a high specific surface area of ≈1440 m2g−1, and PANI is electrochemically deposited onto carbon cloth. The TAC‐ and PANI‐ based asymmetric supercapacitor demonstrates an electrochemical performance superior to that of symmetric supercapacitors, delivering a high specific capacitance of 248 mF cm−2at a current density of 1.0 mA cm−2. The developed asymmetric supercapacitor shows a high energy density of 270 µWh cm−2at a power density of 1400 µW cm−2, as well as an excellent cyclic stability of ≈95% capacitance retention after 10 000 charging–discharging cycles while maintaining ≈98% Coulombic efficiency. Impressively, the series‐connected asymmetric supercapacitors can operate a battery‐free heart‐pulse‐rate monitor extremely efficiently upon solar‐panel charging under regular laboratory illumination.
Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models
Authors: Salcedo Agustin , Zengel Deniz , Maurer Florian , Casapu Maria , Grunwaldt Jan‐Dierk , Michel Carine , Loffreda David
Published: April 2023

Identifying active sites of supported noble metal nanocatalysts remains challenging, since their size and shape undergo changes depending on the support, temperature, and gas mixture composition. Herein, the anharmonic infrared spectrum of adsorbed CO is simulated using density functional theory (DFT) to gain insight into the nature of Pd nanoparticles (NPs) supported on ceria. The authors systematically determine how the simulated infrared spectra are affected by CO coverage, NP size (0.5–1.5 nm), NP morphology (octahedral, icosahedral), and metal‐support contact angle, by exploring a diversity of realistic models inspired by ab initio molecular dynamics. The simulated spectra are then used as a spectroscopic fingerprint to characterize nanoparticles in a real catalyst, by comparison with in‐situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments. Truncated octahedral NPs with an acute Pd‐ceria angle reproduce most of the measurements. In particular, the authors isolate features characteristic of CO adsorbed at the metal‐support interface appearing at low frequencies, both seen in simulation and experiment. This work illustrates the strong need for realistic models to provide a robust description of the active sites, especially at the interface of supported metal nanocatalysts, which can be highly dynamic and evolve considerably during reaction.
Composite Solid Electrolyte with Continuous and Fast Organic–Inorganic Ion Transport Highways Created by 3D Crimped Nanofibers@functional Ceramic Nanowires
Authors: Yang Qi , Li Geng , Shi Dongjie , Gao Lu , Deng Nanping , Kang Weimin , Cheng Bowen
Published: April 2023

A 3D crimped sulfonated polyethersulfone‐polyethylene oxide(C‐SPES/PEO) nanofiber membrane and long‐range lanthanum cobaltate(LaCoO3) nanowires are collectively doped into a PEO matrix to acquire a composite solid electrolyte (C‐SPES‐PEO‐LaCoO3) for all‐solid‐state lithium metal batteries(ASSLMBs). The 3D crimped structure enables the fiber membrane to have a large porosity of 90%. Therefore, under the premise of strongly guaranteeing the mechanical properties of C‐SPES‐PEO‐LaCoO3, the ceramic nanowires conveniently penetrated into the 3D crimped SPES nanofiber without being blocked, which can facilitate fast ionic conductivity by forming 3D continuous organic–inorganic ion transport pathways. The as‐prepared electrolyte delivers an excellent ionic conductivity of 2.5 × 10−4 S cm−1 at 30 °C. Density functional theory calculations indicate that the LaCoO3 nanowires and 3D crimped C‐SPES/PEO fibers contribute to Li+ movement. Particularly, the LiFePO4/C‐SPES‐PEO‐LaCoO3 /Li and NMC811/C‐SPES‐PEO‐LaCoO3/Li pouch cell have a high initial discharge specific capacity of 156.8 mAh g−1 and a maximum value of 176.7 mAh g−1, respectively. In addition, the universality of the penetration of C‐SPES/PEO nanofibers to functional ceramic nanowires is also reflected by the stable cycling performance of ASSLMBs based on the electrolytes, in which the LaCoO3 nanowires are replaced with Gd‐doped CeO2 nanowires. The work will provide a novel approach to high performance solid‐state electrolytes.
2D Layered Materials for Fast‐Charging Lithium‐Ion Battery Anodes
Authors: Yang Yaxiong , Dong Ruige , Cheng Hao , Wang Linlin , Tu Jibing , Zhang Shichao , Zhao Sihan , Zhang Bing , Pan Hongge , Lu Yingying
Published: April 2023

The development of electric vehicles has received worldwide attention in the background of reducing carbon emissions, wherein lithium‐ion batteries (LIBs) become the primary energy supply systems. However, commercial graphite‐based anodes in LIBs currently confront significant difficulty in enduring ultrahigh power input due to the slow Li+ transport rate and the low intercalation potential. This will, in turn, cause dramatic capacity decay and lithium plating. The 2D layered materials (2DLMs) recently emerge as new fast‐charging anodes and hold huge promise for resolving the problems owing to the synergistic effect of a lower Li+ diffusion barrier, a proper Li+ intercalation potential, and a higher theoretical specific capacity with using them. In this review, the background and fundamentals of fast‐charging for LIBs are first introduced. Then the research progress recently made for 2DLMs used for fast‐charging anodes are elaborated and discussed. Some emerging research directions in this field with a short outlook on future studies are further discussed.
Controllable Crystallization of Two‐Dimensional Bi Nanocrystals with Morphology‐Boosted CO2 Electroreduction in Wide pH Environments
Authors: Chen Li‐Wei , Hao Yu‐Chen , Li Jiani , Hu Linyu , Zuo Xintao , Dai Chunlong , Yu Zi‐Long , Huang Hui‐Zi , Tian Wenjing , Liu Di , Chang Xiaoxue , Li Pengfei , Shao Ruiwen , Wang Bo , Yin An‐Xiang
Published: April 2023

Two‐dimensional low‐melting‐point (LMP) metal nanocrystals are attracting increasing attention with broad and irreplaceable applications due to their unique surface and topological structures. However, the chemical synthesis, especially the fine control over the nucleation (reduction) and growth (crystallization), of such LMP metal nanocrystals remains elusive as limited by the challenges of low standard redox potential, low melting point, poor crystalline symmetry, etc. Here, a controllable reduction‐melting‐crystallization (RMC) protocol to synthesize free‐standing and surfactant‐free bismuth nanocrystals with tunable dimensions, morphologies, and surface structures is presented. Especially, ultrathin bismuth nanosheets with flat or jagged surfaces/edges can be prepared with high selectivity. The jagged bismuth nanosheets, with abundant surface steps and defects, exhibit boosted electrocatalytic CO2 reduction performances in acidic, neutral, and alkaline aqueous solutions, achieving the maximum selectivity of near unity at the current density of 210 mA cm–2 for formate evolution under ambient conditions. This work creates the RMC pathway for the synthesis of free‐standing two‐dimensional LMP metal nanomaterials and may find broader applicability in more interdisciplinary applications.