bluuebunny/crossref_metadata_2025 huggingface dataset:
Parameterized entanglement measures based on Rényi-α entropy
Authors: Dai Wei-Peng , He Kan , Hou Jin-Chuan ,   College of Mathematics, Taiyuan University of Technology, Taiyuan 030024, China
Published: November 2023

Parameterized entanglement measures have demonstrated their superiority compared with kinds of unparameterized entanglement measures. Entanglement concurrence has been widely used to describe entanglement in quantum experiments. As an entanglement measure it is related to specific quantum Rényi-α entropy. In the work, we propose a parameterized bipartite entanglement measure based on the general Rényi-α entropy, which is named α-logarithmic concurrence. This measure, different from existing parameterized measures, is defined first for pure states, then extended to the mixed states. Furthermore, we verify three necessary conditions for α-logarithmic concurrence to satisfy the entanglement measures. We show that this measure is easy to calculate for pure states. However, for mixed states, analytical calculations are only suitable for special two-qubit states or special higher-dimensional mixed states. Therefore, we devote our efforts to developing the analytical lower bound of the-logarithmic concurrence for general bipartite states. Surprisingly, this lower bound is a function on positive partial transposition criterion and realignment criterion of this mixed state. This shows the connection among the three entanglement measures. The interesting feature is that the lower bound depends on the entropy parameter associated with the detailed state. This allows us to choose appropriate parameter α such that \begin{document}$ G_\alpha({\boldsymbol{\rho}})\gg0$\end{document} for experimental entanglement detection of specific state ρ. Moreover, we calculate expressions of the α-logarithmic concurrence for isotropic states, and give a the analytic expressions for isotropic states with \begin{document}$ d = 2$\end{document}. Finally, the monogamy of the α-logarithmic concurrence is also discussed. We set up a mathematical formulation for the monogamous property in terms of α-logarithmic concurrence. Here we set up the functional relation between concurrence and α-logarithmic concurrence in two qubit systems. Then we obtain some useful properties of this function, and by combining the Coffman–Kundu–Wootters (CKW) inequality, we establish the monogamy inequality about α-logarithmic concurrence. We finally prove that the monogamy inequality holds true for α-logarithmic concurrence.
Breathers of Gerdjikov-Ivanov equation under background of elliptic function
Authors: Yao Hui , Zhang Hai-Qiang , Xiong Wei-Yue ,   College of Science, University of Shanghai for Science and Technology, Shanghai 200093, China
Published: November 2023

As one specific type of local solutions of nonlinear evolution equation, the breathers have the characteristic of envelope oscillation structure. This kind of oscillation is periodic. According to the periodicity of the distribution and evolution directions, there are three kinds of breathers, namely, the Kuznetsov-Ma breather (KMB), the Akhmediev breather (AB), and the general breather (GB). In recent years, the propagation of envelope breathers under the periodic background has been observed in many nonlinear physical fields, including nonlinear optical fibers and hydrodynamics. It is believed that the breathers can arise due to the modulational instability of the periodic waves, and they demonstrate many rich physical properties and dynamic behaviors of interactions. Therefore, recently great attention has been paid to the breathers under the periodic background in nonlinear science. As an important integrable model, the Gerdjikov-Ivanov (GI) equation can be used to describe various nonlinear phenomena in many physical fields such as in the quantum field theory, weak nonlinear dispersive water wave, and nonlinear optics. It is very meaningful to solve various types of solutions of this model to describe the propagation of nonlinear waves. As far as we know, the breather solutions for the GI equation have not been given under the elliptic function background. In this study, firstly, elliptic function solutions of the GI equation are solved by the modified squared wave (MSW) function approach and the traveling wave transformation. Then, we obtain the basic solution of the Lax pair corresponding to the Jacobi elliptic function seed solution. Based on the elliptic function transformation formulas and the integral formulas, the potential function solution can be expressed in terms of the Weierstrass elliptic function. Secondly, by the once iterated Darboux transformation, three types of breather solutions under the elliptic function background are constructed including the GB, the KMB and the AB. In addition, we analyze the dynamic behaviors of these three kinds of breathers, and present their three-dimensional space-time structures. By the twice iterated Darboux transformation, under the dn-periodic background we exhibit three types of interactions between two breathers, i.e. a GB and a KMB, an AB and a KMB, and a GB and an AB. Finally, we also present three types of interactions between two breathers under the general periodic background.
Endotaxis: A neuromorphic algorithm for mapping, goal-learning, navigation, and patrolling
Authors: Zhang Tony , Rosenberg Matthew , Jing Zeyu , Perona Pietro , Meister Markus
Published: November 2023

An animal entering a new environment typically faces three challenges: explore the space for resources, memorize their locations, and navigate towards those targets as needed. Experimental work on exploration, mapping, and navigation has mostly focused on simple environments – such as an open arena [68], a pond [42], or a desert [44] – and much has been learned about neural signals in diverse brain areas under these conditions [12, 54]. However, many natural environments are highly structured, such as a system of burrows, or of intersecting paths through the underbrush. Similarly, for many cognitive tasks, a sequence of simple actions can give rise to complex solutions. Here we propose an algorithm that learns the structure of a complex environment, discovers useful targets during exploration, and navigates back to those targets by the shortest path. It makes use of a behavioral module common to all motile animals, namely the ability to follow an odor to its source [4]. We show how the brain can learn to generate internal “virtual odors” that guide the animal to any location of interest. This
endotaxis
algorithm can be implemented with a simple 3-layer neural circuit using only biologically realistic structures and learning rules. Several neural components of this scheme are found in brains from insects to humans. Nature may have evolved a general mechanism for search and navigation on the ancient backbone of chemotaxis.
Evaluating Study Design Rigor in Preclinical Cardiovascular Research: A Replication Study
Authors: Jimenez Isaiah C. , Montenegro Gabrielle C. , Zahiri Keyana , Patel Damini , Mueller Adrienne
Published: November 2023

Methodological rigor is a major priority in preclinical cardiovascular research to ensure experimental reproducibility and high quality research. Lack of reproducibility results in diminished translation of preclinical discoveries into medical practice and wastes resources. In addition, lack of reproducibility fosters uncertainty in the public’s acceptance of reported research results.We evaluate the reporting of rigorous methodological practices in preclinical cardiovascular research studies published in leading scientific journals by screening articles for the inclusion of the following key study design elements (SDEs): considering sex as a biological variable, randomization, blinding, and sample size power estimation. We have specifically chosen to screen for these SDEs across articles pertaining to preclinical cardiovascular research studies published between 2011 and 2021. Our study replicates and extends a study published in 2017 by Ramirez et al. We hypothesized that there would be higher SDE inclusion across preclinical studies over time, that preclinical studies that also include human and animal substudies within the same study will exhibit greater SDE inclusion than animal-only preclinical studies, and that there will be a difference in SDE usage between large and small animal models.Overall, inclusion of SDEs was low. 15.2% of animal only studies included both sexes as a biological variable, 30.4% included randomization, 32.1% included blinding, and 8.2% included sample size estimation. Incorporation of SDE in preclinical studies did not significantly increase over the ten year time period in the articles we assessed. Although the inclusion of sex as a biological variable increased over the 10 year time frame, that change was not significant (p=0.411, corrected p=8.22). These trends were consistent across journals. Reporting of randomization and sample size estimation differs significantly between animal and human substudies (corrected p=3.690e-06 and corrected p=7.252e-08, respectively.) Large animal studies had a significantly greater percentage of blinding reported when compared to small animal studies (corrected p=0.01.) Additionally, overall, large animal studies tended to have higher SDE usage.In summary, evidence of methodological rigor varies substantially depending on the study type and model organisms used. Over the time period of 2011-2021, the reporting of SDEs within preclinical cardiovascular studies has not improved and suggests extensive evaluation of other SDEs used in cardiovascular research. Limited incorporation of SDEs within research hinders experimental reproducibility that is critical to future research.
Block-based compressive sensing in deep learning using AlexNet for vegetable classification
Authors: Dyah Irawati Indrarini , Budiman Gelar , Saidah Sofia , Rahmadiani Suci , Latip Rohaya
Published: November 2023

Vegetables can be distinguished according to differences in color, shape, and texture. The deep learning convolutional neural network (CNN) method is a technique that can be used to classify types of vegetables for various applications in agriculture. This study proposes a vegetable classification technique that uses the CNN AlexNet model and applies compressive sensing (CS) to reduce computing time and save storage space. In CS, discrete cosine transform (DCT) is applied for the sparsing process, Gaussian distribution for sampling, and orthogonal matching pursuit (OMP) for reconstruction. Simulation results on 600 images for four types of vegetables showed a maximum test accuracy of 98% for the AlexNet method, while the combined block-based CS using the AlexNet method produced a maximum accuracy of 96.66% with a compression ratio of 2×. Our results indicated that AlexNet CNN architecture and block-based CS in AlexNet can classify vegetable images better than previous methods.
Scrutinising an inscrutable bark-nesting ant: Exploring cryptic diversity in the Rhopalomastix javana (Hymenoptera: Formicidae) complex using DNA barcodes, genome-wide MIG-seq and geometric morphometrics
Authors: Wang Wendy Y. , Yamada Aiki
Published: November 2023

Overlooking cryptic species diversity has grave implications on assessments of climate change impacts on biodiversity, ecosystems and organismal populations. Discriminating between cryptic species has long been challenging even for seasoned taxonomists, as interspecies morphological differences are often indiscernible by visual observation. Multi-disciplinary methods involving genetic analyses in conjunction with quantitative morphological data, should therefore be used to investigate boundaries between cryptic species. We adopted an integrated approach combining analyses of mitochondrial COI barcodes, a genome-wide dataset obtained via multiplexed inter-simple sequence repeats (ISSRs) genotyping by sequencing (MIG-seq), and geometric morphometrics to investigate species divergences in the inscrutable Rhopalomastix javana species complex. Objective clustering of COI suggested five putative molecular species units divergent from each other by thresholds within 4.2–10.6% uncorrected pairwise distance. Phylogenetic analyses based on concatenated MIG-seq data also recovered and strongly supported the monophyly of five major lineages in agreement with COI clusters. Co-ancestry analyses based on MIG-seq data using fineRADstructure resolved variable patterns of admixture linked to geography, and potential genetic drift within some putative species. Geometric morphometric analyses of specimen images further detected statistically significant differences in at least one of three anatomical aspects (Head, Meso, Profile) between all pairs of putative species. Head shape (full-face view) was determined to be the most informative character for species diagnosis, with relatively high classification accuracy. Thin-plate spline deformation grids highlighted areas of high variation between species in each shape for deeper taxonomic scrutiny. The presence of species from multiple distinct lineages existing in near-sympatry firmly demonstrates that R. javana comprises more than one closely-related species, but exact species boundaries are difficult to ascertain. Differences in elevation and its associated abiotic effects on ant adaptations and reproductive phenology may contribute to restricting gene flow and maintaining species boundaries between sympatric populations of the R. javana complex. We further assess the advantages and limitations of geometric morphometrics as a taxonomic tool. Despite its drawbacks, our combined approach has helped draw important insights on cryptic diversity in R. javana, and also identified gaps of knowledge that await address. Results from this study will inform and prime future in-depth taxonomic investigation on the R. javana complex, including formal descriptions and establishment of the five putative species.
Blue Stragglers in the Gaia Era: Galactic Open and Globular Clusters
Authors:   , Carrasco Varela Francisco Felipe
Published: November 2023

Blue Straggler Stars (BSSs) are one of the keys to understand in a better way how stars evolve and interact with each other in different star clusters. They appear to be hotter and brighter than the Main Sequence Turn Off Point (MSTO) and, therefore, they should have evolved off the Main-Sequence branch. We properly select, for Open Clusters (OCs) and Globular Clusters (GCs), star cluster members based on proper motions and parallaxes provided by Gaia Data Release 3 (DR3). Using isochrones models and selection criteria from previous studies, we select and classify stars as BSS, Yellow Straggler Stars and Red Stragglers Stars (evolved BSSs). We identify BSSs to be present in all our GCs and in 42/129 (∼ 33 %) of studied OCs. We counted a total of 4399 BSSs; 434 (∼ 10 %) located in OCs and 3965 (90 %) located in GCs. Clusters younger than ∼ 500 Myr do not show the presence of BSSs in our sample. We obtain astrophysical parameters from 3 different methods (color–temperature relations, isochrone–fitting models and parameters from Gaia DR3 spectra) such as the effective temperature Teff, star mass M, and surface gravity log(g). We find values for BSS Teff to be ∼ (6800 ± 585) K in GCs and ∼ (7570 ± 1400) K in OCs; and an average mass of ⟨MBSS⟩ = (1.75 ± 0.45) M⊙ in OCs and ⟨MBSS⟩ = (1.02 ± 0.1) M⊙ in GCs. For every BSS, we compute the difference of the BSS mass and the MSTO mass of its parent cluster, normalized by the MSTO mass, and called it Me based on previous studies. This parameter is classified as low–Me (Me < 0.5, BSS likely formed through mass-transfer) and high–Me (0.5 < Me < 1.0, BSS likely formed through mergers). For OCs we find a percentage 81.34 % high–Me and 18.66 % low–Me. For GCs, we find 94.25 % low–Me and 5.25 % high–Me. Comparing Me against the BSS age obtained with isochrone modes, we were able to detect: i) GC BSSs that are most likely to be formed through collisions show a “boost” in their percentage/fraction for stars with an age ∼ 1 − 2 Gyr, in agreement with reported age for core-collapse events in GCs found in previous studies; ii) a double sequence for GC BSSs, where we conclude that these sequences correspond to a pre merger/closer-binary interaction and post merger/closer-binary interaction of BSS formation
Synthesis of W-Doped TiO2 Material Ratio Using One-Step Solvothermal Method and Treatment Orientation of Volatile Organic Compounds
Authors: Chau Hung Dung , Tuu Tran Thi , Sy Phung Chi , Tan Lam Van , Tran Thi Kim Ngan
Published: November 2023

In TiO2 photocatalysts have been interested in the world thanks to many advantages in handling toxic compounds, with great potential for practical application at low cost. However, the electron-hole recombination rate is still high and can not be processed under visible light, which is a major limitation of this material. Modification of TiO2 by W6+ is a possible solution, however there is still little research and the optimal W6+ ratio in small amounts is still low. The material was synthesized by a one-stage solvothermal method at 200 ºC for 10 hours, without using any surfactants or post-reaction calcination with doped W molar ratios of 0.5%, 1%, and 1.5%. The result was that the TiW-1.5% catalyst sample had the highest specific surface area of 175 m2/g, higher than pure TiO2 of 160.0 m2/g. The W6+ ion successfully replaced Ti4+ in the TiO2 crystal lattice, reducing the band gap energy of the catalytic sample to 2.88 eV with the TiW-1.5% sample. For TiW-0%, the formaldehyde decomposition ability is 53.50%. Doping W into TiO2 increased catalytic efficiency, with a material sample with an optimal modified W content of 1.5% mol W having a formaldehyde decomposition efficiency of 71.98%. Research results show that W modification can improve the activity of TiO2 and increase the efficiency of volatile organic compound treatment. Copyright © 2023 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).
Cardiovascular Health in the Postpartum Period
Authors: Khan Sadiya S. , Grobman William A. , Cameron Natalie A.
Published: November 2023

This article in the Women’s Health series discusses recent increases in US maternal death rates, disparities in rates by race and ethnicity, poor cardiovascular health (CVH) as one of the multifactorial causes, and clinical approaches to assessing and treating poor CVH postpartum.
Clinical AI Tools Must Be Fed the Right Data, Stanford Health Care's Chief Data Scientist Says
Authors: Voelker Rebecca , Hswen Yulin
Published: November 2023

In this Medical News interview, Stanford Health Care’s chief data scientist Nigam Shah, MBBS, PhD, discusses ways to train and evaluate artificial intelligence models for use in health care.
FDA Green-Lights Tirzepatide, Marketed as Zepbound, for Chronic Weight Management
Authors: Abbasi Jennifer
Published: November 2023

This Medical News article discusses the November 8 US Food and Drug Administration approval of the drug tirzepatide for chronic weight management in people with obesity or overweight with weight-related conditions.
Concurrent Langerhans Cell Histiocytosis and Acute Myeloid Leukemia Without Clonal Relationship
Authors: Beckmann Sebastian , Kliffen Mike , Huijben Auke , Dubbink Hendrikus Jan , Sandberg Yorick
Published: November 2023

This case report describes a woman in her 30s who had been treated with chemotherapy and presented with Langerhans cell histiocytosis and acute myeloid leukemia (AML).
Predicting cysteine reactivity changes upon phosphorylation using XGBoost
Authors: Cao Jing , Xu Yan
Published: November 2023

Cysteine reactivity serves as a significant indicator of protein function and can be affected by phosphorylation events. Experimental approaches have been developed to investigate this effect, but the scale is still relatively limited. Machine‐learning approaches promise to accelerate the investigation of these phenomena. In this study, protein sequence information, distances to the closest phosphorylation sites, and the membership score of the intrinsically disordered region were used to represent the cysteine. Following the feature selection using an elastic net model, two groups of binary classifiers based on XGBoost were built to predict the occurrence and the direction of the reactivity change as a response to phosphorylation events, respectively. In addition, function enrichment analysis was performed on proteins/genes predicted to have reactivity changes. XGBoost performed the best in the independent test with AUC of 0.8192 and 0.9203 for the prediction of the change's occurrence and direction, respectively. The use of two binary classifiers successively resulted in an accuracy of 0.7568 in predicting whether reactivity would be unchanged, increased, or decreased. The enrichment analysis revealed the association of proteins carrying reactivity‐changed cysteine residues with various disease‐related pathways, particularly cancer, autosomal dominant diseases, and viral infections. Changes in cysteine reactivity influenced by phosphorylation are site‐specific and can be predicted by XGBoost algorithms. Our model provides an efficient alternative way to explore the cysteine reactivity upon phosphorylation at the proteome‐wide level, facilitating the investigation of protein functions and their clinical insights. Our code is available on GitHub (https://github.com/DarinaOsamu/predictors‐of‐cysteine‐reactivity‐changes).
Mechanical Properties and Deformation Behaviors of Layered‐Hybrid Lattice Structure Fabricated by Selective Laser Melting
Authors: Ren Yi , Liu Zhuofan , Cai Siyang , Zhao Yucheng , Nie Yu , Ran Wei , Chen Wei
Published: November 2023

Three types of layered‐hybrid lattice structures (LHLSs) with different layer thicknesses composed of body‐centered‐cubic (BCC) and face‐centered‐cubic (FCC) unit cells are designed and manufactured by selective laser melting using Ti–6Al–4V powder. The microstructure and surface morphologies of the three types of the selective laser melting‐formed LHLSs are examined by an optical microscope and scanning electron microscope (SEM), respectively. Quasistatic compression experiments are carried out to investigate the mechanical properties. The results show that the layer thickness has a significant effect on the mechanical properties and deformation behaviors. The elastic modulus, yield strength, and ultimate compressive strength of LHLS increase with the increasing BCC and FCC layer thickness, respectively. Based on the observations of deformation process, a 45° shear band and axial fracture are observed in LHLS‐8, and step‐like deformation bands are observed in both LHLS‐4 and LHLS‐2 samples. Besides, the influence of different loading directions on mechanical properties is also investigated; it is found that the ultimate compressive strength loaded in the transverse direction is independent of the layer thickness in LHLSs.
Oncogenic KRAS, Mucin 4, and Activin A‐Mediated Fibroblast Activation Cooperate for PanIN Initiation
Authors: Hu Chun‐Mei , Huang Chien‐Chang , Hsu Min‐Fen , Chien Hung‐Jen , Wu Pei‐Jung , Chen Yi‐Ing , Jeng Yung‐Ming , Tang Shiue‐Cheng , Chung Mei‐Hsin , Shen Chia‐Ning , Chang Ming‐Chu , Chang Yu‐Ting , Tien Yu‐Wen , Lee Wen‐Hwa
Published: November 2023

Over 90% of patients with pancreatic ductal adenocarcinoma (PDAC) have oncogenic KRAS mutations. Nevertheless, mutated KRAS alone is insufficient to initiate pancreatic intraepithelial neoplasia (PanIN), the precursor of PDAC. The identities of the other factors/events required to drive PanIN formation remain elusive. Here, optic‐clear 3D histology is used to analyze entire pancreases of 2‐week‐old Pdx1‐Cre; LSL‐KrasG12D/+ (KC) mice to detect the earliest emergence of PanIN and observed that the occurrence is independent of physical location. Instead, it is found that the earliest PanINs overexpress Muc4 and associate with αSMA+ fibroblasts in both transgenic mice and human specimens. Mechanistically, KrasG12D/+ pancreatic cells upregulate Muc4 through genetic alterations to increase proliferation and fibroblast recruitments via Activin A secretion and consequently enhance cell transformation for PanIN formation. Inhibition of Activin A signaling using Follistatin (FST) diminishes early PanIN‐associated fibroblast recruitment, effectively curtailing PanIN initiation and growth in KC mice. These findings emphasize the vital role of interactions between oncogenic KrasG12D/+‐driven genetic alterations and induced microenvironmental changes in PanIN initiation, suggesting potential avenues for early PDAC diagnostic and management approaches.
High‐Spatiotemporal‐Resolution Ultrasound Flow Imaging to Determine Cerebrovascular Hemodynamics in Alzheimer's Disease Mice Model
Authors: Huang Hsin , Hsu Pei‐Ling , Tsai Sheng‐Feng , Chuang Yi‐Hsiang , Chen De‐Quan , Xu Guo‐Xuan , Chen Chien , Kuo Yu‐Min , Huang Chih‐Chung
Published: November 2023

Although the relationships of cerebrovascular hemodynamic dysfunction with neurodegenerative diseases remain unclear, many studies have indicated that poor cerebral perfusion accelerates the progression of neurodegenerative diseases, such as Alzheimer's disease (AD). Small animal models are widely used in AD research. However, providing an imaging modality with a high spatiotemporal resolution and sufficiently large field of view to assess cerebrovascular hemodynamics in vivo remains a challenge. The present study proposes a novel technique for high‐spatiotemporal‐resolution vector micro‐Doppler imaging (HVμDI) based on contrast‐free ultrafast high frequency ultrasound imaging to visualize the cerebrovascular hemodynamics of the mouse, with a data acquisition time of 0.4 s, a minimal detectable vessel size of 38 µm, and a temporal resolution of 500 Hz. In vivo experiments are conducted on wild‐type and AD mice. Cerebrovascular hemodynamics are quantified using the cerebral vascular density, diameter, velocity, tortuosity, cortical flow pulsatility, and instant flow direction variations. Results reveal that AD significantly change the cerebrovascular hemodynamics. HVμDI offers new opportunities for in vivo analysis of cerebrovascular hemodynamics in neurodegenerative pathologies in preclinical animal research.
Deep Learning Enables Rapid Identification of a New Quasicrystal from Multiphase Powder Diffraction Patterns
Authors: Uryu Hirotaka , Yamada Tsunetomo , Kitahara Koichi , Singh Alok , Iwasaki Yutaka , Kimura Kaoru , Hiroki Kanta , Miyao Naoya , Ishikawa Asuka , Tamura Ryuji , Ohhashi Satoshi , Liu Chang , Yoshida Ryo
Published: November 2023

Since the discovery of the quasicrystal, approximately 100 stable quasicrystals are identified. To date, the existence of quasicrystals is verified using transmission electron microscopy; however, this technique requires significantly more elaboration than rapid and automatic powder X‐ray diffraction. Therefore, to facilitate the search for novel quasicrystals, developing a rapid technique for phase‐identification from powder diffraction patterns is desirable. This paper reports the identification of a new Al–Si–Ru quasicrystal using deep learning technologies from multiphase powder patterns, from which it is difficult to discriminate the presence of quasicrystalline phases even for well‐trained human experts. Deep neural networks trained with artificially generated multiphase powder patterns determine the presence of quasicrystals with an accuracy >92% from actual powder patterns. Specifically, 440 powder patterns are screened using the trained classifier, from which the Al–Si–Ru quasicrystal is identified. This study demonstrates an excellent potential of deep learning to identify an unknown phase of a targeted structure from powder patterns even when existing in a multiphase sample.
Enhancing Interfacial Dynamic Stability Through Accelerated Reconstruction to Inhibit Iron‐Loss During Initial Electrochemical Activation
Authors: Lin Yan , Ren Hao , Zhang Siyu , Liu Sijia , Zhao Tingting , Jiang Wen‐Jie , Zhou Weidong , Hu Jin‐Song , Li Zhongtao
Published: November 2023

Highly active oxygen evolution reaction (OER) electrocatalysts, such as those containing Fe, often face the challenge of severe dissolution of active elements. Addressing this concern through the establishment of a dynamically stable interface during OER presents a promising strategy, achieved by manipulation of catalyst components. Herein, the findings reveal that Fe loss during OER predominantly occurs during the initial activation phase, marked by irreversible structural distortion that disrupts interfacial dynamical stability. By investigating the structural evolution of Fe‐containing Prussian blue analogs, serving as a model OER precatalyst, the correlation between precatalyst structural changes and interfacial dynamic stability is elucidated. Utilizing thermal annealing of CoFe bimetal Prussian blue, favorable thermodynamic conditions are induced for generating cyano vacancies within the matrix, thereby facilitating enhanced initial activation during OER. Consequently, catalytically active and stable oxyhydroxide species rapidly form at the interface, exhibiting robust interactions with interfacial Fe elements to stabilize interface dynamics. Suppression of the irreversible structural distortion responsible for active element loss during initial activation culminates in enhanced OER activity and stability.
De novo variants in KCNA3 cause developmental and epileptic encephalopathy
Authors: Soldovieri Maria Virginia , Ambrosino Paolo , Mosca Ilaria , Servettini Ilenio , Pietrunti Francesca , Belperio Giorgio ,   KCNA3 study group, Syrbe Steffen , Taglialatela Maurizio , Lemke Johannes R
Published: November 2023

Objective

Variants in several potassium channel genes, including KCNA1 and KCNA2, cause Developmental and Epileptic Encephalopathies (DEEs). We investigated whether variants in KCNA3, another mammalian homologue of the Drosophila shaker family and encoding for Kv1.3 subunits, can cause DEE.

Methods

Genetic analysis of study individuals was performed by routine exome or genome sequencing, usually of parent‐offspring trios. Phenotyping was performed via a standard clinical questionnaire. Currents from wild‐type and/or mutant Kv1.3 subunits were investigated by whole‐cell patch‐clamp upon their heterologous expression.

Results

Fourteen individuals, each carrying a de novo heterozygous missense variant in KCNA3, were identified. Most (12/14; 86%) had DEE with marked speech delay with or without motor delay, intellectual disability, epilepsy, and autism spectrum disorder. Functional analysis of Kv1.3 channels carrying each variant revealed heterogeneous functional changes, ranging from “pure” loss‐of‐function (LoF) effects due to faster inactivation kinetics, depolarized voltage‐dependence of activation, slower activation kinetics, increased current inactivation, reduced or absent currents with or without dominant‐negative effects, to “mixed” loss‐ and gain‐of‐function (GoF) effects. Compared to controls, Kv1.3 currents in lymphoblasts from 1 of the proband displayed functional changes similar to those observed upon heterologous expression of channels carrying the same variant. The antidepressant drug fluoxetine inhibited with similar potency the currents from wild‐type and 1 of the Kv1.3 GoF variant.

Interpretation

We describe a novel association of de novo missense variants in KCNA3 with a human DEE, and provide evidence that fluoxetine might represent a potential targeted treatment for individuals carrying variants with significant GoF effects. ANN NEUROL 2024;95:365–376
A Single‐Component Dual Donor Enables Ultrasound‐Triggered Co‐release of Carbon Monoxide and Hydrogen Sulfide
Authors: Zhang Mengdan , Cheng Jian , Shen Zhiqiang , Lin Paiyu , Ding Shenggang , Hu Jinming
Published: November 2023

The development of dual gasotransmitter donors can not only provide robust tools to investigate their subtle interplay under pathophysiological conditions but also optimize therapeutic efficacy. While conventional strategies are heavily dependent on multicomponent donors, we herein report an ultrasound‐responsive water‐soluble copolymer (PSHF) capable of releasing carbon monoxide (CO) and hydrogen sulfide (H2S) based on single‐component sulfur‐substituted 3‐hydroxyflavone (SHF) derivatives. Interestingly, sulfur substitution can not only greatly improve the ultrasound sensitivity but also enable the co‐release of CO/H2S under mild ultrasound irradiation. The co‐release of CO/H2S gasotransmitters exerts a bactericidal effect against Staphylococcus aureus and demonstrates anti‐inflammatory activity in lipopolysaccharide‐challenged macrophages. Moreover, the excellent tissue penetration of ultrasound irradiation enables the local release of CO/H2S in the joints of septic arthritis rats, exhibiting superior therapeutic efficacy without the need for any antibiotics.
Photochromic Nucleosides and Oligonucleotides
Authors: Bargstedt Jörn , Reinschmidt Martin , Tydecks Leon , Kolmar Theresa , Hendrich Christoph M. , Jäschke Andres
Published: November 2023

Photochromism is a reversible phenomenon wherein a material undergoes a change in color upon exposure to light. In organic photochromes, this effect often results from light‐induced isomerization reactions, leading to alterations in either the spatial orientation or electronic properties of the photochrome. The incorporation of photochromic moieties into biomolecules, such as proteins or nucleic acids, has become a prevalent approach to render these biomolecules responsive to light stimuli. Utilizing light as a trigger for the manipulation of biomolecular structure and function offers numerous advantages compared to other stimuli, such as chemical or electrical treatments, due to its non‐invasive nature. Consequently, light proves particularly advantageous in cellular and tissue applications. In this review, we emphasize recent advancements in the field of photochromic nucleosides and oligonucleotides. We provide an overview of the design principles of different classes of photochromes, synthetic strategies, critical analytical challenges, as well as structure–property relationships. The applications of photochromic nucleic acid derivatives encompass diverse domains, ranging from the precise photoregulation of gene expression to the controlled modulation of the three‐dimensional structures of oligonucleotides and the development of DNA‐based fluorescence modulators. Moreover, we present a future perspective on potential modifications and applications.
Light‐Responsive Supramolecular Liquid‐Crystalline Metallacycle for Orthogonal Multimode Photopatterning
Authors: Hu Yi‐Xiong , Hao Xingtian , Wang Dan , Zhang Zi‐Cheng , Sun Haitao , Xu Xing‐Dong , Xie Xiaolin , Shi Xueliang , Peng Haiyan , Yang Hai‐Bo , Xu Lin
Published: November 2023

The development of multimode photopatterning systems based on supramolecular coordination complexes (SCCs) is considerably attractive in supramolecular chemistry and materials science, because SCCs can serve as promising platforms for the incorporation of multiple functional building blocks. Herein, we report a light‐responsive liquid‐crystalline metallacycle that is constructed by coordination‐driven self‐assembly. By exploiting its fascinating liquid crystal features, bright emission properties, and facile photocyclization capability, a unique system with spatially‐controlled fluorescence‐resonance energy transfer (FRET) is built through the introduction of a photochromic spiropyran derivative, which led to the realization of the first example of a liquid‐crystalline metallacycle for orthogonal photopatterning in three‐modes, namely holography, fluorescence, and photochromism.
Severe acute drug‐induced dystonia in the post‐operative period requiring tracheal re‐intubation
Authors: Baigent A. V. , Morris E. A. J.
Published: November 2023

Ondansetron is a highly selective 5‐hydroxytryptamine receptor antagonist and the most commonly used anti‐emetic for the prevention of postoperative nausea and vomiting. Ondansetron has a low affinity for dopamine receptors and so extrapyramidal side effects are rare. Here, we present the case of a 14‐year‐old girl who developed a severe post‐operative acute dystonic reaction which included oculogyric crisis. We believe that ondansetron was the most likely cause, although propofol may have been a synergistic or alternative causative agent. The patient had no significant past medical history and had previously undergone two uneventful general anaesthetics which included both ondansetron and propofol. The prolonged duration and severity of the reaction and failure to fully respond to specific treatments resulted in the need for tracheal intubation and transfer to a paediatric intensive care unit. She subsequently recovered uneventfully with no ongoing neurological sequalae. Ondansetron‐induced dystonic reactions are rare and unpredictable and can occur in patients who have previously received the drug without complication. They are thought to be caused by an imbalance between inhibitory and excitatory neurotransmitters in the extrapyramidal system. Specific treatments include anticholinergics, antihistamines and benzodiazepines.
Green synthesis of aryl‐(4‐oxo‐1,2‐dihydroquinazolin‐4‐yl‐methylene) pyrazole‐TiO2 nanoparticles as dyes removable for waste water treatment
Authors: Alotaibi Badriah , Rizk Sameh A. , Alyousef Haifa A. , Atta Ali , Elgendy Abdelfattah T.
Published: November 2023

Facile synthesis for true intermediate (E)‐ and Z‐2‐(((5‐bromo‐1‐(3‐chloropyridin‐2‐yl)‐1H‐pyrazol‐3‐yl)methylene)amino)‐5‐chloro‐3‐methylbenzoic acid precursors and 2‐(5‐bromo‐1‐(3‐chloropyridin‐2‐yl)‐1H‐pyrazol‐3‐yl)‐6‐chloro‐3,8‐dimethylquinazolin‐4(3H)‐one (QPP) as electron donor/electron acceptor to be working as efficient dye sensitizers. These new derivatives have a wide‐band gap photo‐catalysts semiconductor and are performing to spread to the visible‐light region to give more stability and efficiency towards biomedicine for different diseases. In the present work, the authors are suggesting the design and synthesis of new structures of QPP molecule with extended visible light absorptivity due to the extended π‐π/n‐π conjugations, to stimulate TiO2 nanoparticles in visible‐light region. The physicochemical characterizations confirmed the successful synthesis of QPP, TiO2, and QPP II/TiO2 samples with the proposed structures. Fixing of QPP on the TiO2 surface is refining the optical properties of TiO2 with enhancing the charge separation and generating the efficient antenna in the visible region. Furthermore, the QPP II/TiO2 sample achieved a threefold enhancement in the observed rate constant of the photo‐degradation of rhodamine B dye when compared to the bare TiO2. Finally, the effect of the scavengers was investigated by
to be the most reactive species, and the mechanism of the enhancement was suggested for investigation of the proposed structures in various photo‐catalytic and biomedical applications.
Recent Progress on Durable Metal‐N‐C Catalysts for Proton Exchange Membrane Fuel Cells
Authors: Wu Hao‐Ran , Chen Miao‐Ying , Li Wei‐Dong , Lu Bang‐An
Published: November 2023

It is essential for the widespread application of proton exchange membrane fuel cells (PEMFCs) to investigate low‐cost, extremely active, and long‐lasting oxygen reduction catalysts. Initial performance of PGM‐free metal‐nitrogen‐carbon (M−N−C) catalysts for oxygen reduction reaction (ORR) has advanced significantly, particularly for Fe−N−C‐based catalysts. However, the insufficient stability of M−N−C catalysts still impedes their use in practical fuel cells. In this review, we focus on the understanding of the structure‐stability relationship of M−N−C ORR catalysts and summarize valuable guidance for the rational design of durable M−N−C catalysts. In the first section of this review, we discuss the inherent degrading mechanisms of M−N−C catalysts, such as carbon corrosion, demetallation, H2O2 attack, etc. As we gain a thorough comprehension of these deterioration mechanisms, we shift our attention to the investigation of strategies that can mitigate catalyst deterioration and increase its stability. These strategies include enhancing the anti‐oxidation of carbon, fortifying M−N bonds, and maximizing the effectiveness of free radical scavengers. This review offers a prospective view on the enhancement of the stability of non‐noble metal catalysts.
A model for stochastic dependence implied by failures among deteriorating components
Authors: Casanova Biscarri Emilio , Mercier Sophie , Sangüesa Carmen
Published: November 2023

A system of components is here considered, with component deterioration modeled by non decreasing time‐scaled Lévy processes. When a component fails, a sudden change in the time‐scaling functions of the surviving components is induced, which makes the components stochastically dependent. We compute the reliability function of coherent systems under this new dependence model. We next study the distribution of the ordered failure times, and establish some positive dependence properties. We also provide stochastic comparison results in the usual multivariate stochastic order between failure times of two dependence models with different parameters. Finally, some numerical experiments illustrate the theoretical results.
Sulfonamide derivatives with benzothiazole scaffold: Synthesis and carbonic anhydrase I–II inhibition properties
Authors: Öztürk Cansu , Kalay Erbay , Gerni Serpil , Balci Neslihan , Tokali Feyzi Sinan , Aslan Osman Nuri , Polat Emrah
Published: November 2023

The secondary sulfonamide derivatives containing benzothiazole scaffold (1–10) were synthesized to determine their inhibition properties on two physiologically essential human carbonic anhydrases isoforms (hCAs, EC, 4.2.1.1), hCA I, and hCA II. The inhibitory effects of the compounds on hCA I and hCA II isoenzymes were investigated by comparing their IC50 and Ki values. The Ki values of compounds (1–10) against hCA I and hCA II are in the range of 0.052 ± 0.022–0.971 ± 0.280 and 0.025 ± 0.010–0.682 ± 0.335, respectively. Some of these inhibited the enzyme more effectively than the standard drug, acetazolamide. In particular, compounds 5 and 4 were found to be most effective on hCA I and hCA II.
Targeting stress granules in neurodegenerative diseases: A focus on biological function and dynamics disorders
Authors: Fang Minglv , Liu Ying , Huang Cheng , Fan Shengjie
Published: November 2023

Stress granules (SGs) are membraneless organelles formed by eukaryotic cells in response to stress to promote cell survival through their pleiotropic cytoprotective effects. SGs recruit a variety of components to enhance their physiological function, and play a critical role in the propagation of pathological proteins, a key factor in neurodegeneration. Recent advances indicate that SG dynamic disorders exacerbate neuronal susceptibility to stress in neurodegenerative diseases (NDs) including Alzheimer's disease (AD), amyotrophic lateral sclerosis (ALS), frontotemporal dementia (FTD), Huntington's disease (HD) and Parkinson's disease (PD). Here, we outline the biological functions of SGs, highlight SG dynamic disorders in NDs, and emphasize therapeutic approaches for enhancing SG dynamics to provide new insights into ND intervention.
Molecular Design of Novel Inhibitor by Targeting IL‐6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold‐Hopping Techniques: A Dual Therapeutic Strategy for COVID‐19 and Cancer
Authors: Paul Ishani , Roy Alankar , Ray Sujay
Published: November 2023

The IL‐6/IL‐6R/gp130 complex serves as a significant indicator of cytokine release syndrome in COVID‐19 and chronic inflammation, increasing the risk of cancer. Therefore, we identified IL‐6Rα as a potential target to block gp130 interaction. Notably, there has been no reception of approval for an orally available drug to serve this purpose, to date. In this study, we targeted IL‐6Rα to inhibit IL‐6Rα/gp130 interaction. The selection of the lead candidate L821 involved the amalgamation of three drug discovery approaches. This library was screened employing tertiary structure‐based pharmacophore models followed by molecular docking models, scaffold‐hopping, MM/PBSA as well as MM/GBSA analysis, and assessments of pKi and ADMET properties. After evaluating the binding interactions with key amino acids, 15 potential ligands were chosen, with the top ligand undergoing further investigation by means of molecular dynamics simulations. Considering the stability of the complexes, the strong interactions observed between ligand and residues of IL‐6Rα/gp130, and the favorable binding free energy calculations, L821 emerged as the prime candidate for inhibiting IL‐6Rα. Notably, L821 exhibited a docking‐based binding affinity of −9.5 kcal/mol. Our study presents L821 as a promising inhibitor for future in vitro analysis, potentially combatting SARS‐CoV‐2‐related cytokine storms and serving as an oncogenic drug therapy.
Two New Prostaglandin‐Like Compounds from Callicarpa arborea Roxb and Their NLRP3 Inflammasome Activation Inhibitory Activity
Authors: Zeb Muhammad Aurang , Ding Ling , Wang Meng‐Ru , Tu Wen‐Chao , Li Xiao‐Li , Zhang Xing‐Jie , Xiao Wei‐Lie
Published: November 2023

Two new prostaglandin‐like compounds callicarboric acids A−B (1–2), along with six known compounds (3–8) were isolated from the stems of Callicarpa arborea Roxb. Their structures were determined with the help of modern spectroscopic techniques such as NMR, UV, IR, HR‐ESI‐MS, ECD with the assistance of quantum chemical calculations. Compound 1 exhibited remarkable anti‐NLRP3 inflammasome activation potential, demonstrating an IC50 value of 0.74 μM. Additionally, by reducing GSDMD‐NT production, inhibiting caspase‐1 activation, and suppressing IL‐1β secretion, it effectively mitigated NLRP3 inflammasome‐induced pyroptosis in J774A.1 cells. These findings indicate that compound 1 possesses the capability to be a valuable candidate for further research and development as an NLRP3 inflammasome inhibitor.
Wide QRS complex tachycardia with a mysterious mask—Tricuspid isthmus‐dependent atrial flutter with preexcitation syndrome and dual atrioventricular nodal pathway conduction
Authors: Liu Chao , Li Changjin , Xu Xiaonan , Zhou Mingyao , Huang Xinmiao , Zhou Bingyan , Cao Jiang , Huang Songqun , Guo Zhifu
Published: November 2023

Key Clinical Message

Atrial flutter (AFL) and supraventricular tachycardia (SVT) are common arrhythmias in clinic. However, some AFL cases may present additional complexities, such as both accessory pathways (AP) and dual atrioventricular node pathways, putting on a mysterious mask and making it challenging to distinguish on electrocardiograms (ECGs).

A 60‐year‐old male patient had a sudden syncope, and an ECG showed wide QRS complex tachycardia. This diagnostic ambiguity is further compounded by the fact that SVT via AP conduction can exhibit wide QRS complex tachycardia characteristics resembling ventricular tachycardia (VT). Consequently, a definitive diagnosis through electrophysiological (EP) examination becomes imperative, as it dictates subsequent ablation strategies. In this article, we present a rare case involving three distinct arrhythmias including AFL, AP, and dual atrioventricular node pathways, and successfully treated through ablation.