bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical study of atomic electronegativity effects on the excited‐state behavior of fluorescent compounds of citrinin
Authors: Gao Yue , Lv Meiheng , Cai Zexu , Zhang Yuhang , Wang Tingting , Liu Jianyong , Shang Fangjian , Li Wenze
Published: July 2024

The present work focuses on the light‐induced behavior of citrinin derivatives in relation to atomic electronegativity. A detailed theoretical study on the photophysical properties and excited‐state behavior of fluorescent compounds of citrinin (Cit‐O, Cit‐S, and Cit‐Se, with different atomic electronegativity) has been conducted, and the effect of electronegativity on the proton transfer in this system has been explained. First, the relevant hydrogen bond parameters and infrared vibrational spectra of the optimized geometrical configurations have been insightfully investigated. It is elucidated that the hydrogen bond is strengthened after photoexcitation, and it provides a driving force for excited‐state intramolecular proton transfer (ESIPT). In addition, the frontier molecular orbitals were analyzed, and the intramolecular charge transfer process in all Cit systems, the phenomenon of charge redistribution, facilitates the ESIPT reaction. By constructing potential energy surfaces for different transfer paths, the atomic electronegativity impact on the ESIPT dynamical behavior of the Cit system was determined. This work clarifies the mechanism of the intramolecular proton transfer process in the excited state of citrinin molecules and complements the theoretical study of the atomic electronegativity‐regulated citrinin system, which provides a corresponding theoretical basis for the design and synthesis of new luminescence‐adjustable citrinin systems.
Machine learning‐enhanced HRCT analysis for diagnosis and severity assessment in pediatric asthma
Authors: De Filippo Maria , Fasola Salvatore , De Matteis Federica , Gorone Maria Sole Prevedoni , Preda Lorenzo , Votto Martina , Malizia Velia , Marseglia Gian Luigi , La Grutta Stefania , Licari Amelia
Published: July 2024

Objectives

Chest high‐resolution computed tomography (HRCT) is conditionally recommended to rule out conditions that mimic or coexist with severe asthma in children. However, it may provide valuable insights into identifying structural airway changes in pediatric patients. This study aims to develop a machine learning‐based chest HRCT image analysis model to aid pediatric pulmonologists in identifying features of severe asthma.

Methods

This retrospective case‐control study compared children with severe asthma (as defined by ERS/ATS guidelines) to age‐ and sex‐matched controls without asthma, using chest HRCT scans for detailed imaging analysis. Statistical analysis included classification trees, random forests, and conventional ROC analysis to identify the most significant imaging features that mark severe asthma from controls.

Results

Chest HRCT scans differentiated children with severe asthma from controls. Compared to controls (n = 21, mean age 11.4 years), children with severe asthma (n = 20, mean age 10.4 years) showed significantly greater bronchial thickening (BT) scores (p < 0.001), airway wall thickness percentage (AWT%, p < 0.001), bronchiectasis grading (BG) and bronchiectasis severity (BS) scores (p = 0.016), mucus plugging, and centrilobular emphysema (p = 0.009). Using AWT% as the predictor in conventional ROC analysis, an AWT% ≥ 38.6 emerged as the optimal classifier for discriminating severe asthmatics from controls, with 95% sensitivity, specificity, and overall accuracy.

Conclusion

Our study demonstrates the potential of machine learning‐based analysis of chest HRCT scans to accurately identify features associated with severe asthma in children, enhancing diagnostic evaluation and contributing to the development of more targeted treatment approaches.
Communication Protocols and QECC From the Perspective of TQFT, Part II: QECCs as Spacetimes
Authors: Fields Chris , Glazebrook James F. , Marcianò Antonino
Published: July 2024

Topological quantum field theories (TQFTs) provide a general, minimal‐assumption language for describing quantum‐state preparation and measurement. They therefore provide a general language in which to express multi‐agent communication protocols, e.g., local operations, classical communication (LOCC) protocols. In the accompanying Part I, we construct LOCC protocols using TQFT, and show that LOCC protocols induce quantum error‐correcting codes (QECCs) on the agent‐environment boundary. Such QECCs can be regarded as implementing or inducing the emergence of spacetimes on such boundaries. Here connection between inter‐agent communication and spacetime is investigated, by exploiting different realizations of TQFT. The authors delved into TQFTs that support on their boundaries spin‐networks as computational systems: these are known as topological quantum neural networks (TQNNs). TQNNs, which have a natural representation as tensor networks, implement QECC. The HaPPY code is recognized to be a paradigmatic example. How generic QECCs, as bulk‐boundary codes, induce effective spacetimes is then shown. The effective spatial and temporal separations that take place in QECC enables LOCC protocols between spatially separated observers. The implementation of QECCs in BF and Chern‐Simons theories are then considered, and QECC‐induced spacetimes are shown to provide the classical redundancy required for LOCC. Finally, the topological M‐theory is considered as an implementation of QECC in higher spacetime dimensions.
A mechanistic PK/PD model of AZD0171 (anti‐LIF) to support Phase II dose selection
Authors: Shahraz Azar , Penney Mark , Candido Juliana , Opoku‐Ansah Grace , Neubauer Melanie , Eyles Jim , Ojo Oluwaseun , Liu Nelson , Luheshi Nadia M. , Phipps Alex , Vishwanathan Karthick
Published: July 2024

AZD0171 (INN: Falbikitug) is being developed as a humanized monoclonal antibody (mAb), immunoglobulin G subclass 1 (IgG1), which binds specifically to the immunosuppressive human cytokine leukemia inhibitory factor (LIF) and inhibits downstream signaling by blocking recruitment of glycoprotein 130 (gp130) to the LIF receptor (LIFR) subunit (gp190) and the phosphorylation of signal transducer and activator of transcription 3 (STAT3) and is intended to treat adult participants with advanced solid tumors. LIF is a pleiotropic cytokine (and a member of the IL‐6 family of cytokines) involved in many physiological and pathological processes and is highly expressed in a subset of solid tumors, including non‐small cell lung cancer (NSCLC), colon, ovarian, prostate, and pancreatic cancer. The aim of this work was to develop a mechanistic PK/PD model to investigate the effect of AZD0171 on tumor LIF levels, predict the level of downstream signaling complex (LIF:LIFR:gp130) inhibition, and examine the dose–response relationship to support dose selection for a Phase II clinical study. Modeling results show that tumor LIF is inhibited in a dose‐dependent manner with >90% inhibition for 95% of patients at the Phase II clinical dose of 1500 mg Q2W.
Optical Sensitive Detection of Cervical Cancer Based on Surface Plasmon Resonance Nanostructure
Authors: Daher Malek G. , Trabelsi Youssef , Rashed Ahmed Nabih Zaki , Yahia Ibrahim S. , Prajapati Yogenra Kumar , Almawgani Abdulkarem H. M. , Alzahrani Ahmad
Published: July 2024

Cervical cancer is a disease that affects a lot of people all over the world. The success of treatment is significantly increased by early detection. The new surface plasmon resonance sensor (SPRS) described in this article is constructed from layers of silver, BaTiO3, and graphene, as well as a coupling prism. The transfer matrix (TM) approach is used to evaluate the SPRS structure. To obtain the highest sensitivity of the suggested SPRS, the thicknesses of the Ag and BaTiO3 and the number of Gr sheets are evaluated. Investigations are done on all factors of performance of the proposed device. Exemplary efficiency is achieved using 4 nm (BaTiO3) and 60 nm (Ag) materials. Three layers are chosen as the optimal amount of graphene after investigation. When the optimal thicknesses are employed, the suggested SPRS's greatest sensitivity of 300° RIU−1 has been attained. The suggested SPRS displays better sensitivity when compared to SPRS structures that have already been published in the literature. This SPRS is promising to be used in different biosensing applications due to its high performance.
Workplace‐Based Education Interventions for Managing Metabolic Syndrome in Low‐ and Middle‐Income Countries: A Realist Review
Authors: Bogale Sitotaw Kerie , Sarma Haribondhu , Alamnia Tilahun Tewabe , Kelly Matthew
Published: July 2024

Background

Sedentary office work and work‐related stress increase the risk of metabolic syndrome. Workplace‐based education interventions for promoting prevention are gaining popularity due to their positive impact on managing metabolic syndrome. We conducted this realist review to understand the contextual factors and mechanisms that contribute to the effectiveness of these interventions and how they interact to produce outcomes.

Method

We conducted a comprehensive search of five main databases (PubMed, Web of Science, ProQuest, Scopus and PsycINFO) and Google Scholar, as well as references of included articles. We included all studies published until 12 January 2023, reporting the effects of workplace lifestyle education interventions on metabolic syndrome. Using a realist review approach, we identified and evaluated middle‐range theories to develop a context–mechanism–outcome configuration.

Results

We identified 6883 titles for screening, of which 15 studies were included in this realist review. This realist review has identified strong social support networks, workplace influence, involvement of worksite managers and cultural relevance as contextual factors that contribute to the effectiveness of workplace‐based education interventions for managing metabolic syndrome in low‐ and middle‐income countries, which may not be as prominent in developed countries.

Conclusion

The review concludes that while developing and implementing healthy lifestyle policies in the workplace, policymakers and researchers should consider social support, workplace influences, manager participation and cultural relevance.
Neurological manifestations of Flaviviridae, Togaviridae, and Peribunyaviridae as vector‐borne viruses
Authors: Alissa Mohammed , Alsuwat Meshari A. , Alzahrani Khalid J.
Published: July 2024

Vector‐borne viruses pose a significant health problem worldwide, as they are transmitted to humans through the bite of infected arthropods such as mosquitoes and ticks. In recent years, emerging and re‐emerging vector‐borne diseases have gained attention as they can cause a wide spectrum of neurological manifestations. The neurological manifestations of vector‐borne viruses encompass a board spectrum of clinical manifestations, ranging from mild and self‐limiting symptoms to severe and life‐threatening conditions. Common neurological complications include viral encephalitis, acute flaccid paralysis, aseptic meningitis, and various neuromuscular disorders. The specific viruses responsible for these neurological sequelae vary by geographic region and include Orthoflavivirus nilense, Zika virus, dengue virus, chikungunya virus, Japanese encephalitis virus, and tick‐borne encephalitis virus. This review focuses on the pathogenesis of these neurologic complications and highlights the mechanisms by which vector‐borne viruses invade the central nervous system and trigger neuroinflammatory responses. Diagnostic challenges and strategies for early detection of neurological manifestations are discussed, emphasising the importance of clinical suspicion and advanced laboratory testing.
Increased winter‐killed cover crop seeding rate may not increase soil health outcomes
Authors: Palmer Corey , Siller Arthur , Naylor Raina , Hashemi Masoud , Keiser Ashley
Published: July 2024

Implementing soil conservation practices can begin to restore degraded soils, improve soil health, and increase overall ecosystem services. Cover cropping is an effective strategy to rebuild soil quality through decreased erosion and increased residue inputs, which can help build soil organic matter. Cover crop seeding rate may have a positive relationship with ecosystem services; however, it is unknown whether this is realized at or below the recommended cover crop seeding rate. The goal of this study was to identify the relationship between cover crop seeding rate and soil health biogeochemical measures across the growing season using five oat (Avena sativa L.)–pea (Pisum sativum L.) cover crop treatments of 0%, 25%, 50%, 75%, and 100% the industry standard seeding rate at the University of Massachusetts Amherst Research Farm. Soils were tested for soil carbon (C), nitrogen (N), and microbial measures at winter kill, spring thaw, post‐planting, and succeeding cash crop harvest. Soil measures did not vary among seeding rates, but total ground cover was consistent among treatments due to weed growth. Soil health measures vary seasonally reflecting soil microbial activity. Our study provides initial evidence that soil biogeochemical responses do not respond to increased seeding rate within one growing season when the resulting groundcover—cover crop biomass plus weeds—is consistent across seeding rates, but sampling date can influence the magnitude of soil biological and chemical soil health metrics.
Mapping sustainable options in the fashion industry: A systematic literature review and a future research agenda
Authors: Schiaroli Valerio , Dangelico Rosa Maria , Fraccascia Luca
Published: July 2024

The fashion industry accounts for large impacts on the environment and social welfare, both on the consumers' and companies' sides. This study systematically reviews the literature on sustainable consumption in the fashion industry, clarifying sustainable fashion's meaning. Existing sustainable fashion solutions are investigated from consumers' behavior perspective and classified into three consumption phases, that is, (pre‐)purchase, use, and post‐use. 187 articles are included, and twenty‐six sustainable solutions are identified across the consumption phases. These include techniques, features, services, and behaviors able to increase garment sustainability by mitigating negative impacts and ensuring product circularity by recycling and/or reusing at the product's end of life, representing promising strategies for fostering a transition toward sustainable fashion consumption practices. An innovative and comprehensive framework of sustainable fashion solutions is developed. Future research agenda and a sustainable offering inventory for marketers are provided.
DBU‐Promoted Solvent‐Free One‐Pot Multicomponent Synthesis of 2‐Amino‐1,4‐Dihydropyridines From β‐Enaminones, Aromatic Aldehydes and Malononitrile
Authors: Chintha Saikrishna , Medishetti Nagaraju , Karangi Maneesha , Atmakur Krishnaiah
Published: July 2024

The synthesis of 2‐amino‐1,4‐dihydropyridines was accomplished starting from β‐enaminones, aromatic aldehydes and malononitrile with DBU and without solvent. The reaction proceeds through a Knoevenegel condensation, which affords the benzylidine olefin intermediate. This can directly react with β‐enaminone, leading to the desired product. Simple reaction conditions with no solvent and good yields are the advantages of this protocol.
New Thiazole Derivatives: Carbonic Anhydrase I–II and Cholinesterase Inhibition Profiles, Molecular Docking Studies
Authors: Karakaya Abdüllatif , Ercetin Tugba , Yıldırım Suheda , Kocyigit Ümit M. , Rudrapal Mithun , Rakshit Gourav , Acar Çevik Ulviye , Özkay Yusuf
Published: July 2024

Thiosemicarbazone derivative was obtained by the addition of thiosemicarbazide to 5‐nitro‐thiophene‐2‐carbaldehyde. The addition–cyclization of the 2‐bromoacetophenone derivative to thiosemicarbazone derivative gave the new thiazole derivatives (2 a‐k). Acetylcholinesterase (AChE), butyrylcholinesterase (BChE), antioxidant, and human carbonic anhydrase (hCA) I and II isoform inhibitory activities of the thiazole derivatives 2 a‐k were investigated. The effects of thiazole derivatives on carbonic anhydrase I and II (hCA I–II) isoenzymes were examined in vitro using the esterase method. IC50 values for enzyme inhibition were found to be 2.661–22.712 μM for hCA I and 5.372–26.813 μM for hCA II. All derivatives reduced the activities of carbonic anhydrase I and II isoenzymes and were new potential inhibitor molecule candidates. These compounds were found to have minimal effects on AChE and BChE. The antioxidant properties of the target compounds were determined using DPPH and ferric ion‐chelating assays. In particular, compounds 2 k and 2 h had the highest antioxidant effect in the series with IC50 values of 30.11±0.008 μM and 30.21±0.006 μM, respectively. ADMET properties of the compounds found to be effective were evaluated and their interactions with the enzyme were determined by molecular docking.
Evaluation of Anti‐Chlamydial Effect of a Synthetic Linear Peptide
Authors: Jaradat Da'san M. M. , Al‐Zeer Munir A.
Published: July 2024

Inspired by the broad spectrum of antimicrobial activity exhibited by Magainins and SMAP‐28, and based on their chemical structures, several linear peptides were designed and synthesized with the aim of achieving peptides possessing promising anti‐chlamydial activity with lower cytotoxicity towards human normal cell lines. We found these peptides to be cytotoxic against human normal cell lines, except for one designated as DJ‐7, which was utilized in subsequent experiments, while the others were excluded. Peptide DJ‐7 was readily synthesized using standard Fmoc‐SPPS, and its anti‐chlamydial activity was investigated against HeLa cells (ATCC CCL‐2) infected with Chlamydia trachomatis L2 (ATCC VR‐902B) at MOI 1 for 2 hours, followed by treatment with increasing concentrations of peptide DJ‐7 (15–60 μg/mL). Microscopic examination revealed a significant reduction in the total number of bacterial inclusions in cells by around 50 % and 80 % after treatment with 15 μg/mL (5.5 μM) and 30 μg/mL (11 μM) of peptide DJ‐7, respectively, compared to control untreated infected cells. The impact of peptide DJ‐7 treatment on the development of infectious C. trachomatis serovar L2 progeny was investigated, demonstrating a significant decrease in infectious chlamydia after treatment with peptide DJ‐7. This suggests that chlamydia failed to complete its typical developmental cycle, indicating that peptide DJ‐7 exhibits anti‐chlamydial properties, by disrupting the normal bacterial development process. Our results indicate that peptide DJ‐7 is a promising lead peptide for further development as a potential anti‐chlamydial agent.
The Effective Capacitance Behaviour of Argon Plasma Exposed Al Dopped CdO Electrode Used in Efficient Metal ‐Air Batteries
Authors: Karthikeyan N. , Vijayalakshmi K. A.
Published: July 2024

The impact of employing DC glow discharge plasma on aluminum‐doped cadmium oxide (Al‐doped CdO) electrodes is explored in the context of advanced energy storage, particularly focusing on Al‐air batteries. Utilizing various characterization techniques including XRD, FTIR, Raman spectroscopy, FESEM, and EDS, we identify significant changes in structure and morphology induced by plasma treatment, such as nano scale clustering, increased surface roughness, and higher oxidation levels. Electrochemical tests with a three‐electrode system shows remarkable improvements in charge storage capacity after plasma treatment, particularly with argon plasma, resulting in increased capacitance (1140 Fg−1), specific capacity (681 mAhg−1), and reduced charge transfer resistance (4.2 Ω), with notable changes in behavior, especially in potassium hydroxide (KOH) electrolyte.
Gas‐Controlled Self‐Assembly of Metallacycle‐Cored Supramolecular Star Polymer with Tunable Antibacterial Activity
Authors: Ma Zhewen , Feng Yuanhao , Yu Qilin , Zheng Wei
Published: July 2024

Herein, a three‐armed amphiphilic metallacycle‐cored star supramolecular polymer (Por‐MOM‐PDMAEMA) has been designed and synthesized via highly efficient post‐assembly polymerization. This star polymer is further self‐assembled into nanoparticles of different sizes depending upon the experimental conditions. The gas‐controlled morphology transformation and tunable antibacterial activities of Por‐MOM‐PDMAEMAis systematically investigated and compared with metallacycle (MOM). The superior antibacterial activity of Por‐MOM‐PDMAEMA against multidrug‐resistant P. aeruginosa implies that the presence of photodynamic photosensitizer (Por) and cationic polymer chain will significantly enhance antibactericidal activity, which is mainly attributed to the synergistic effect of photosensitizer and polymer chain linked in one metallacycle core. By leveraging the unique properties of metallacycle and their dynamic response to gaseous stimuli, the antibacterial properties of the Por‐MOM‐PDMAEMA can be finely tuned in response to gas triggers.
Efficient Holes Abstraction by Precisely Decorating Ruthenium Single Atoms and RuOx Clusters on ZnIn2S4 for Photocatalytic Pure Water Splitting
Authors: Wu Shuangzhi , Zhang Shengyu , Zhang Qingsheng , Liu Guowei , Yang Jianjun , Guan Zhongjie , Zou Zhigang
Published: July 2024

Developing efficient photocatalysts for two‐electron water splitting with simultaneous H2O2 and H2 generation shows great promise for practical application. Currently, the efficiency of two‐electron water splitting is still restricted by the low utilization of photogenerated charges, especially holes, of which the transfer rate is much slower than that of electrons. Herein, Ru single atoms and RuOx clusters are co‐decorated on ZnIn2S4 (RuOx/Ru‐ZIS) to employ as multifunctional sites for efficient photocatalytic pure water splitting. Doping of Ru single atoms in the ZIS basal plane enhances holes abstraction from bulk ZIS by regulating the electronic structure, and RuOx clusters offer a strong interfacial electric field to remarkably promote the out‐of‐plane migration of holes from ZIS. Moreover, Ru single atoms and RuOx clusters also serve as active sites for boosting surface water oxidation. As a result, an excellent H2 and H2O2 evolution rates of 581.9 µmol g−1 h−1 and 464.4 µmol g−1 h−1 is achieved over RuOx/Ru‐ZIS under visible light irradiation, respectively, with an apparent quantum efficiency (AQE) of 4.36% at 400 nm. This work paves a new way to increase charge utilization by manipulating photocatalyst using single atom and clusters.
Unlocking Quantum Catalysis in Topological Trivial Materials: A Case Study of Janus Monolayer MoSMg
Authors: Yang Ying , Gong Jialin , Wang Xiaotian , Cheng Zhenxiang , Yang Tie
Published: July 2024

The emerging field of topological catalysis has received significant attention due to its potential for high‐performance catalytic activity in the hydrogen‐evolution reaction (HER). While topological materials often possess fragile surface states, trivial topological materials not only offer a larger pool of candidates but also demonstrate robust surface states. As a result, the search for topological catalysts has expanded to include trivial schemes. In this study, a novel 2D Janus monolayer, MoSMg, which demonstrates exceptional obstructed atomic insulating behavior, is presented. Crucially, this trivial metallic topological state exhibits clean obstructed surface states, leading to a significant enhancement in catalytic performance for the HER in electrochemical processes, particularly under high hydrogen coverage. Moreover, the edge sites of this MoSMg monolayer exhibit even more superior catalytic activity, characterized by near‐zero Gibbs free energies. In these findings, the way is paved for exploring new avenues in the design of quantum electrocatalysts, especially within the realm of trivial topological materials.
Lipid Nanoparticle‐mRNA Engineered Dendritic Cell Based Adoptive Cell Therapy Enhances Cancer Immune Response
Authors: Das Riddha , Ge Xinying , Fei Fan , Parvanian Sepideh , Weissleder Ralph , Garris Christopher S.
Published: July 2024

Lipid nanoparticles encapsulating mRNA (LNP‐mRNA) revolutionized medicine over the past several years. While clinically approved indications currently focus on infectious disease vaccination, LNP‐mRNA based treatments also hold promise for cancer immunotherapy. However, the route of dosing may impact treatment efficacy, safety, and dose. To minimize adverse effects, it is hypothesized that LNP‐mRNA can be used to activate and engineer dendritic cells (DC) ex vivo before re‐administration of these cells. Here, it is shown that LNP‐mRNA engineered DCs can indeed vaccinate recipient mice. Vaccinated mice showed strong anti‐tumor T cell responses, rejected tumor challenge, and displayed no evidence of toxicity. Further, it is found that DC specific ablation of the immune activating kinase NFkB inducing kinase (NIK) abrogated vaccination efficacy, demonstrating that adoptively transferred DCs can be functionally modified in addition to their antigen presentation capacity. Collectively, these studies show that ex vivo LNP‐mRNA engineering of DCs is a feasible and robust therapeutic strategy for cancer.
Enhancing the Phase Crystallinity of Buried Layer Perovskites through Organic Salt Molecule‐Assisted Crystal Growth
Authors: Umar Akrajas Ali , Devkota Nim Bahadur , Dai Shijie , Ahmed Waqar , Li Xiaoguo , Wang Jiao , Yu Anran , Zhan Yiqiang
Published: July 2024

The performance and stability of perovskite solar cells rely crucially on the purity of their active perovskite phase. While the two‐step method has emerged as a well‐known technique for fabricating high‐performance cells, it suffers from significant PbI2 phase impurities at the buried layer due to inefficient diffusion of cationic molecules into the preprepared PbI2 layer. Herein, a simple yet highly effective method is presented to boost phase purity within the buried layer by introducing formamidinium iodide (FAI) seed molecules into the underlying PbI2 layer. X‐Ray diffraction analysis result reveals that this process significantly reduces the PbI2 phase and enhances the purity of the perovskite's phase. It is also observed that this technique can produce perovskite layer with a remarkably smooth surface structure and large interconnected crystal grains, forming a continuous layer. These characteristics are subjected to further enhancement when hexamethylenetetramine molecules are concurrently introduced with FAI into the PbI2 layer. Solar cells fabricated using this method, with an active area of 0.1 cm2, achieve a remarkable power conversion efficiency of up to 24.52% with Voc as high as 1.18 V, representing a substantial improvement over cells produced using the standard two‐step method, which attains only 22.18% efficiency. With its simple yet impactful approach, the present method should find widespread adoption in the production of high‐performance perovskite solar cells.
Regulation of Intermolecular and Interfacial Interactions by Functionalization of Substituent Groups in Hole Transport Materials for Perovskite Solar Cells: A Density Functional Theory and Experimental Study
Authors: Wang Ruiqin , Qi Jiayi , Chen Xin , Jiang Fangdan , Wu Fei , Liu Xiaorui
Published: July 2024

Developing potential hole transport materials (HTMs) is an effective approach to reduce carrier nonradiative recombination and improve the efficiency of perovskite solar cells (PSCs). To investigate the intermolecular and interfacial interactions of HTMs in PSC devices, two molecules (RQ7 and RQ8) with substituent group functionalization are designed by isomerizing ‐F and ‐SMe in the para‐ and ortho‐positions on the side chain of carbazole diphenylamine‐based HTMs. Theoretical simulations indicate that the functionalization of substituent groups in HTMs alters their dipole moments and electronic structures, as well as their intermolecular interactions, hole transport capabilities, and interfacial interactions at the HTMs/perovskite interface. Experimental results show that RQ8 exhibited higher hole mobility, better film‐forming ability, and reduced electron‐hole recombination, resulting in RQ8‐based PSC devices achieving a higher power conversion efficiency than those based on RQ7. Herein, it is demonstrated that isomerous functionalization of substituent groups in carbazole diphenylamine‐based HTMs is a feasible strategy for controlling and regulating the intermolecular and interfacial interactions of HTMs in PSC applications.
The postcranial anatomy and osteohistology of Terrestrisuchus gracilis (Archosauria, Crocodylomorpha) from the Late Triassic of Wales
Authors: Spiekman Stephan N. F. , Butler Richard J. , Maidment Susannah C. R.
Published: July 2024

The earliest crocodylomorphs, known as non‐crocodyliform crocodylomorphs, first appeared during the Late Triassic. In contrast to extant crocodylians, which are all semi‐aquatic, early crocodylomorphs represent terrestrial taxa with a fully erect posture and in most cases a small body size. Their gracile skeletons suggest an active mode of life, possibly similar to contemporaneous, bipedal theropod dinosaurs. Despite this remarkable body plan, the postcranial morphology of early crocodylomorphs has rarely been documented in detail, restricting our ability to infer aspects of their functional morphology and evolution. Here, we provide a detailed description of the postcranium of Terrestrisuchus gracilis, a small‐bodied crocodylomorph from the Late Triassic of Pant‐y‐Ffynnon Quarry (southern Wales, UK), including a description of long bone tissues based on histological thin sections. Almost all elements of the postcranial skeleton have been preserved. The skeleton of Terrestrisuchus gracilis is highly gracile, even for a non‐crocodyliform crocodylomorph. Osteological correlates of the appendicular skeleton suggest that Terrestrisuchus gracilis had a digitigrade, quadrupedal posture. A quantitative analysis of limb robustness corroborates that Terrestrisuchus gracilis was a quadruped. Histological analysis suggests that all sampled specimens were skeletally immature and had fast growth at the time of death, as indicated by the lack of an external fundamental system and the predominance of fibrolamellar bone. The bone tissue is similar to that recently described for Saltoposuchus connectens and certain non‐crocodylomorph pseudosuchians, but differs from Hesperosuchus agilis and crocodyliforms, in which parallel‐fibred bone is more prevalent.
Interactive Skin Lesion Segmentation Considering Behavioral Preference in Clicking
Authors: Zhao Shuofeng , Gu Chunzhi , Yu Jun , Akashi Takuya , Zhang Chao
Published: July 2024

Interactive Medical Image Segmentation (IMIS) aims to improve the accuracy of image segmentation by incorporating human guidance, primarily through click‐based interactions. IMIS for skin lesion segmentation is a challenging task because the edges of lesion regions on the skin are often ambiguous, and training IMIS models requires the generation of pseudo‐clicks to simulate human clicks. Most previous methods generate pseudo‐clicks by sampling from the entire mis‐segmented region. However, such clicks are inconsistent with human behavior, resulting in performance degradation, particularly for skin lesion segmentation. In this study, we address this issue by integrating human preference into the process of generating pseudo clicks to train the segmentation model, which is simple yet effective. Specifically, through a user study, we find that people are more inclined to click on larger mis‐segmented regions during interactive segmentation. Inspired by this, a roulette selection strategy is used to generate the pseudo‐clicks based on the area of the mis‐segmented subregions. Our proposed method, BehaviorClick, can be easily integrated with existing interactive segmentation models to improve the performance. The accuracy improvement on four dermoscopic datasets under six state‐of‐the‐art interactive segmentation methods is confirmed, which demonstrates the generalizability and effectiveness of our approach. © 2024 Institute of Electrical Engineers of Japan and Wiley Periodicals LLC.
Understanding varicocele: urologists’ perspective
Authors: MacDonald‐Nethercott Meiling , Grice Peter , Pearce Ian , Modgil Vaibhav
Published: July 2024

Varicocele, a common cause of scrotal swelling in men, is closely associated with infertility. This article reviews its historical context, epidemiology, aetiology and the current understanding of underlying mechanisms leading to infertility. It further assesses the existing evidence on optimal treatment strategies and examines current guidelines for diagnosis, investigation and treatment of varicocele. In addition, the article offers urologists’ perspective on the condition to provide a holistic view of its clinical considerations and management.
Pancreatic lipase inhibitory and anti‐acne activity of Piper betle: Kinetic studies, in silico docking, and chemical characterization of bioactive compounds
Authors: Shinde Rani A. , Patil Mohini R. , Patil Ravindra H. , Vishwakarma Kishor S. , Maheshwari Vijay L.
Published: July 2024

Lipases play important roles in obesity and skin infections. Piper betle (Piperaceae) is widely cultivated and used in daily life. It is a rich source of lead compounds used in skin infections. This study reveals anti‐acne and pancreatic lipase inhibitory potential of leaf extract of Piper betle using in‐vitro and in‐silico molecular docking. The inhibitory potential of 13 selected plant extracts was evaluated at various concentrations (5–25 µg/mL). Ethyl‐acetate extract of Piper betle with strong pancreatic lipase inhibitory activity was further fractionated by preparative thin layer chromatography and eluted bands showing strong inhibitory activity were characterized by high performance liquid chromatography and gas chromatography. The purified compounds, namely, anodendroside E,2‐monoacetate, and 5H‐cyclopropa[3,4]benz(1, 2‐ejazulen‐5‐one), were identified and showed over 90% pancreatic lipase inhibition. The isolated compounds showed strong dose‐dependent inhibitory effects on Propionibacterium acnes. These observations were consistent with molecular docking studies, which showed that anodendroside E,2‐monoacetate binds to the allosteric site with a binding energy of –7.0 kcal/mol, and this binding site is stabilized by hydrogen and carbon hydrogen bonds contributed by Phe 354 and Asp130, ser103. These findings suggest that the pancreatic lipase inhibitory and anti‐acne effects of Piper betle are attributed to anodendroside E,2‐monoacetate.
Comparative study of the effects of antitussive drugs in a canine acute cough model
Authors: Aoki Takuam , Eki Kent
Published: July 2024

Background

Cough is a common clinical complaint in small animal practice with limited treatment options for chronic underlying conditions.

Objectives

The present study aimed to evaluate the efficacy of three antitussive drugs in a novel, minimally invasive canine acute cough model.

Methods

Five clinically healthy Beagles were used to create an acute cough model by administering sterile saline via a transtracheally placed central venous catheter. Single‐dose antitussive effects of butorphanol, maropitant and Danpron were assessed. Cough frequency was measured before and at hourly intervals up to 3 h post‐administration of each drug, with a linear mixed model used for statistical analysis.

Results

Butorphanol (0.3 m/kg, IM) significantly reduced cough frequency at 1 and 3 h post‐administration. Danpron (0.1 mL/kg, IM) also significantly reduced cough frequency 1 h post‐administration; however, this effect was not sustained at 3 h. Maropitant (1 mg/kg, IM) did not significantly reduce cough frequency. The cough induction method was effective and minimally invasive, with no adverse effects.

Conclusion

The present study demonstrated that butorphanol has a potent and prolonged antitussive effect in an acute canine cough model, whereas Danpron shows a transient effect. These findings provide valuable insights into the comparative efficacy of commonly used antitussive drugs in dogs.
Knowledge, attitude and practice related to anthrax among livestock farmers in West Kazakhstan
Authors: Kulpiisova Altyn , Aitpayeva Zukhra , Maimatayeva Assiya , Ussenova Lyailya , Paritova Assel , Zhanabayev Assylbek , Bakishev Temirlan , Tursunkulov Spandiyar , Kitapbay Tileubek , Abutalip Aspen , Mussayeva Assiya , Ospanov Yerzhan , Omarbekova Urzhan , Turalin Bauyrzhan , Sapa Vladislav , Aisin Marat , Bizhanov Alim , Baikadamova Gulnara , Chylbak‐ool Salbak , Pakhomova Elena , Rametov Nurkuisa , Issimov Arman , Burambayeva Nadezhda
Published: July 2024

Background

Anthrax is the most prioritized zoonotic disease in Kazakhstan due to its threatening potential to the public health and agricultural sector. Sporadic anthrax outbreaks are being reported annually among human and livestock populations throughout the country, with the highest frequency occurring in West Kazakhstan.

Methods

A cross‐sectional study was conducted using a survey‐based face‐to‐face interview. From January to May 2022, 489 randomly selected participants were surveyed in 6 districts of the Baiterek province in West Kazakhstan oblast to evaluate the knowledge, attitude and practice (KAP) regarding anthrax among community members. This is the first KAP study conducted relating to outbreaks of anthrax in Kazakhstan.

Results

In this study, most participants (74%) surveyed were males, and 40% of respondents had a secondary level education. Overall, 91% of the community respondents were engaged in agriculture and livestock rearing. Among these community members, cattle rearing was the most common (67%) occupation compared to other livestock species. Additionally, over a 50% of the population studied had no knowledge about the zoonotic nature of the disease, and about 82% and 87% of respondents were unaware of any animal and human anthrax symptoms, respectively. About 70% of the respondents were interested in vaccinating their livestock against anthrax. Individuals aged 45–54 displayed notably higher animal vaccination rates (45%; 95% CI: 38.4–52.0; p < 0.025) compared to those aged 25–34 and 65–74. Respondents residing in the Beles district (20%; 95% CI: 17.1–24.7; p < 0.005) exhibited a significantly higher level of awareness concerning the fatality of anthrax in contrast to participants from Bolashak. Roughly 61% of respondents held the belief that anthrax is a lethal disease. An overwhelming majority of the survey participants (99%) affirmed their non‐participation in the slaughter of infected animals.

Conclusion

The findings of this study indicate that KAP among community members relating to anthrax is low and requires swift implementation of education programmes in building awareness of anthrax under the One Health approach, especially in anthrax prone regions.
Local operator quench induced by two-dimensional inhomogeneous and homogeneous CFT Hamiltonians
Authors: Mao Weibo , Nozaki Masahiro , Tamaoka Kotaro , Tan Mao Tian
Published: July 2024

Abstract

We explore non-equilibrium processes in two-dimensional conformal field theories (2d CFTs) due to the growth of operators induced by inhomogeneous and homogeneous Hamiltonians by investigating the time dependence of the partition function, energy density, and entanglement entropy. The non-equilibrium processes considered in this paper are constructed out of the Lorentzian and Euclidean time evolution governed by different Hamiltonians. We explore the effect of the time ordering on entanglement dynamics so that we find that in a free boson CFT and RCFTs, this time ordering does not affect the entanglement entropy, while in the holographic CFTs, it does. Our main finding is that in the holographic CFTs, the non-unitary time evolution induced by the inhomogeneous Hamiltonian can retain the initial state information longer than in the unitary time evolution.
Using machine learning to combine genetic and environmental data for maize grain yield predictions across multi-environment trials
Authors: Fernandes Igor K. , Vieira Caio C. , Dias Kaio O. G. , Fernandes Samuel B.
Published: July 2024

Key message

Incorporating feature-engineered environmental data into machine learning-based genomic prediction models is an efficient approach to indirectly model genotype-by-environment interactions.

Complementing phenotypic traits and molecular markers with high-dimensional data such as climate and soil information is becoming a common practice in breeding programs. This study explored new ways to combine non-genetic information in genomic prediction models using machine learning. Using the multi-environment trial data from the Genomes To Fields initiative, different models to predict maize grain yield were adjusted using various inputs: genetic, environmental, or a combination of both, either in an additive (genetic-and-environmental; G+E) or a multiplicative (genotype-by-environment interaction; GEI) manner. When including environmental data, the mean prediction accuracy of machine learning genomic prediction models increased up to 7% over the well-established Factor Analytic Multiplicative Mixed Model among the three cross-validation scenarios evaluated. Moreover, using the G+E model was more advantageous than the GEI model given the superior, or at least comparable, prediction accuracy, the lower usage of computational memory and time, and the flexibility of accounting for interactions by construction. Our results illustrate the flexibility provided by the ML framework, particularly with feature engineering. We show that the feature engineering stage offers a viable option for envirotyping and generates valuable information for machine learning-based genomic prediction models. Furthermore, we verified that the genotype-by-environment interactions may be considered using tree-based approaches without explicitly including interactions in the model. These findings support the growing interest in merging high-dimensional genotypic and environmental data into predictive modeling.
Correlates of disability among primary care patients with common mental disorders and chronic medical conditions- a cross-sectional study from rural South India
Authors: Salazar Luke Joshua , Hegde Divya , Srinivasan Krishnamachari , Heylen Elsa , Ekstrand Maria L.
Published: July 2024

Purpose

We examined the correlates of disability among people with non-communicable diseases (NCDs) and comorbid common mental disorders (CMDs) from rural India.

Methods

The sample comprised 2,486 participants enrolled in a cluster randomized trial (cRCT), Healthier OPtions through Empowerment (HOPE). Participants were 30 years or older, with a diagnosis of major depressive disorder, dysthymia, generalized anxiety disorder, and/or panic disorder on the MINI-International Neuropsychiatric Interview, with hypertension, diabetes, dsylipidemia and/ or ischemic heart disease. Disability was measured with the 12-item version of WHODAS 2.0. The severity of depression and anxiety was measured using the Patient Health Questionnaire (PHQ-9) and the Generalized Anxiety Disorder Scale (GAD-7), respectively. Multiple linear regression analyses were used to examine associations.

Results

The mean age was 59 ± 10.0 years, three quarters (1864) of the participants were female, and 64.0% were married. More than half of the participants had no formal education (57.9%). Most of the participants had two or more chronic medical conditions (73.0%). The mean disability score was 24.3. The mean depression score was 8.5, and the mean anxiety score was 6.7. Higher levels of disability were reported by participants ≥ 60 years of age, those with moderate and severe depression, and moderate anxiety. Among female participants, being unmarried was associated with greater disability. Male participants without formal education reported greater levels of disability.

Conclusion

Higher severity of CMDs is significantly associated with higher levels of disability. For women, being unmarried and for men having no formal education was associated with higher levels of disability.

Trial registration

ClinicalTrials.gov NCT02310932 [URL: https://clinicaltrials.gov/ct2/show/record/NCT02310932] registered on December 8, 2014, and Clinical Trials Registry India CTRI/2018/04/013001, registered on April 4, 2018. Retrospectively registered.
Does Urodynamic Stress Incontinence Increase After the Menopause?: Results from 2,994 Urodynamic Studies in Australian Women
Authors: te West Nevine , Harris Katie , Chapman Michael , Moore Kate Hilda
Published: July 2024

Introduction and Hypothesis

Most studies attempting to estimate the age-related prevalence of urinary incontinence (UI) have used questionnaires. In the present study we analysed a consecutive series of urodynamic test results to determine the distribution of the different types of UI in pre- and post-menopausal women. We hypothesised that the prevalence of urodynamic stress incontinence (USI) would be significantly greater in pre-menopausal than in post-menopausal women.

Methods

All women from a large tertiary urogynaecology department, who underwent urodynamic tests during the years 2000–2015 were included. Patient history and test results were collected. A sample size of 1,475 was calculated, based on the hypothesis that the prevalence of USI will be 20% larger in the pre- versus the post-menopausal group.

Results

A total of 2,994 women with UI on urodynamics were available. There was a significant difference between pre- and post-menopausal status for each of the three diagnoses: USI 483 (59.3%) versus 912 (41.8%), detrusor overactivity (DO) 125 (15.4%) versus 399 (18.3%) and USI with concomitant DO 206 (25.3%) versus 869 (39.9%). A bimodal pattern of age was seen in women with USI, with a peak in the 46–50 and 61–65 age group, before decreasing with age. DO generally increased with age. USI with concomitant DO increased steadily after the menopause, becoming the predominant type after the age of 66.

Conclusions

In this large cohort of women attending urodynamics, we have shown that USI is the predominant type of incontinence in pre-menopausal women; however, USI with concomitant DO increases after menopause, eventually predominating.
Examples of Deformed Spin(7)-Instantons/Donaldson–Thomas Connections
Authors: Fowdar Udhav
Published: July 2024

We construct examples of deformed Hermitian Yang–Mills connections and deformed $$\textrm{Spin}(7)$$

Spin
(
7
)

-instantons (also called $$\textrm{Spin}(7)$$

Spin
(
7
)

deformed Donaldson–Thomas connections) on the cotangent bundle of $$\mathbb {C}\mathbb {P}^2$$

C

P

2

endowed with the Calabi hyperKähler structure. Deformed $$\textrm{Spin}(7)$$

Spin
(
7
)

-instantons on cones over 3-Sasakian 7-manifolds are also constructed. We show that these can be used to distinguish between isometric structures and also between $$\textrm{Sp}(2)$$

Sp
(
2
)

and $$\textrm{Spin}(7)$$

Spin
(
7
)

holonomy cones. To the best of our knowledge, these are the first non-trivial examples of deformed $$\textrm{Spin}(7)$$

Spin
(
7
)

-instantons.
Spectral Gap and Edge Universality of Dense Random Regular Graphs
Authors: He Yukun
Published: July 2024

Let $${\mathcal {A}}$$
A
be the adjacency matrix of a random d-regular graph on N vertices, and we denote its eigenvalues by $$\lambda _1\geqslant \lambda _2\cdots \geqslant \lambda _{N}$$

λ
1

⩾

λ
2

⋯
⩾

λ
N

. For $$N^{2/3+o(1)}\leqslant d\leqslant N/2$$

N

2
/
3
+
o
(
1
)

⩽
d
⩽
N
/
2

, we prove optimal rigidity estimates of the extreme eigenvalues of $${\mathcal {A}}$$
A
, which in particular imply that $$\begin{aligned} \max \{|\lambda _N|,\lambda _2\} <2\sqrt{d-1} \end{aligned}$$

max
{
|

λ
N

|
,

λ
2

}

<
2

d
-
1

with very high probability. In the same regime of d, we also show that $$\begin{aligned} N^{2/3}\bigg (\frac{\lambda _2+d/N}{\sqrt{d(N-d)/N}}-2\bigg ) \overset{d}{\longrightarrow }\ \textrm{TW}_1, \end{aligned}$$

N

2
/
3

(

λ
2

+
d
/
N

d
(
N
-
d
)
/
N

-
2

)

⟶
d

TW
1

,

where $$\textrm{TW}_1$$

TW
1

is the Tracy–Widom distribution for GOE; analogue results also hold for other non-trivial extreme eigenvalues.