bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparative studies of seafood and reptile α‐ and β‐parvalbumins
Authors: O'Malley Andrea , Ray Joshua M. , Kitlas Patrycja , Ruethers Thimo , Kapingidza A. Brenda , Cierpicki Tomasz , Lopata Andreas , Kowal Krzysztof , Chruszcz Maksymilian 
Published: November 2024

AbstractSmall calcium‐binding proteins such as parvalbumins (PVs) are major seafood and fish allergens. However, the impact of structural changes on their capacity to bind IgE has not been studied in detail. Therefore, fish and reptilian PVs, as well as human α‐PV, were selected for biochemical, structural, and IgE binding studies. Likely due to their high solubility, crystallization proved difficult, so additional techniques were used to promote crystallization of the proteins. Novel crystal structures were determined for human PV, cod allergen Gad m 1.0201, saltwater crocodile allergen Cro p 1.0101, and the α‐PV from thornback ray. β‐PVs are considered the major fish allergens, while α‐PVs are rarely categorized as allergens. To explain these differences, the results of structural and IgE binding studies were combined. This approach allowed us to provide new insight into IgE binding epitopes present on PVs, focusing on cross‐reactivity among the selected α‐ and β‐PVs. In addition, we have shown that these proteins display remarkable thermal stability across a range of pH conditions, which is relevant in the case of food allergens and food processing. Moreover, it is shown that the presence of calcium cations is critical for stability of the studied PVs via their protein folding, which has an impact on the formation of IgE binding epitopes. These studies shows the stability of fish and reptile PV allergens, and it allows for further evaluation of their IgE cross‐reactivity.
Unraveling GPCRs Allosteric Modulation. Cannabinoid 1 Receptor as a Case Study
Authors: Cruz Alejandro , Warshel Arieh 
Published: November 2024

ABSTRACTG‐protein‐coupled receptors (GPCRs) constitute one of the most prominent families of integral membrane receptor proteins that mediate most transmembrane signaling processes. Malfunction of these signal transduction processes is one of the underlying causes of many human pathologies (Parkinson's, Huntington's, heart diseases, etc), provoking that GPCRs are the largest family of druggable proteins. However, these receptors have been targeted traditionally by orthosteric ligands, which usually causes side effects due to the simultaneous targeting of homologous receptor subtypes. Allosteric modulation offers a promising alternative approach to circumvent this problematic and, thus, comprehending its details is a most important task. Here we use the Cannabinoid type‐1 receptor (CB1R) in trying to shed light on this issue, focusing on positive allosteric modulation. This is done by using the protein‐dipole Langevin‐dipole (PDLD) within the linear response approximation (LRA) framework (PDLD/S‐2000) along with our coarse‐grained (CG) model of membrane proteins to evaluate the dissociation constants (KBs) and cooperativity factors (αs) for a diverse series of CB1R positive allosteric modulators belonging to the 2‐phenylindole structural class, considering CP55940 as an agonist. The agreement with the experimental data evinces that significantly populated allosteric modulator:CB1R and allosteric modulator:CP55940:CB1R complexes have been identified and characterized successfully. Analyzing them, it has been determined that CB1R positive allosteric modulation lies in an outwards displacement of transmembrane α helix (TM) 4 extracellular end and in the regulation of the range of motion of a compound TM7 movement for binary and ternary complexes, respectively. In this respect, we achieved a better comprehension of the molecular architecture of CB1R positive allosteric site, identifying Lys1923.28 and Gly1943.30 as key residues regarding electrostatic interactions inside this cavity, and to rationalize (at both structural and molecular level) the exhibited stereoselectivity in relation to positive allosteric modulation activity by considered CB1R allosteric modulators. Additionally, putative/postulated allosteric binding sites have been screened successfully, identifying the real CB1R positive allosteric site, and most structure–activity relationship (SAR) studies of CB1R 2‐phenylindole allosteric modulators have been rationalized. All these findings point out towards the predictive value of the methodology used in the current work, which can be applied to other biophysical systems of interest. The results presented in this study contribute significantly to understand GPCRs allosteric modulation and, hopefully, will encourage a more thorough exploration of the topic.
Semantic segmentation for weed detection in corn
Authors: Liu Teng , Jin Xiaojun , Han Kang , He Feiyu , Wang Jinxu , Chen Xin , Kong Xiaotong , Yu Jialin 
Published: November 2024

AbstractBACKGROUNDReliable, fast, and accurate weed detection in farmland is crucial for precision weed management but remains challenging due to the diverse weed species present across different fields. While deep learning models for direct weed detection have been developed in previous studies, creating a training dataset that encompasses all possible weed species, ecotypes, and growth stages is practically unfeasible. This study proposes a novel approach to detect weeds by integrating semantic segmentation with image processing. The primary aim is to simplify the weed detection process by segmenting crop pixels and identifying all vegetation outside the crop mask as weeds.RESULTSThe proposed method employs a semantic segmentation model to generate a mask of corn (Zea mays L.) crops, identifying all green plant pixels outside the mask as weeds. This indirect segmentation approach reduces model complexity by avoiding the need for direct detection of diverse weed species. To enhance real‐time performance, the semantic segmentation model was optimized through knowledge distillation, resulting in a faster, lighter‐weight inference. Experimental results demonstrated that the DeepLabV3+ model, after applying knowledge distillation, achieved an average accuracy (aAcc) exceeding 99.5% and a mean intersection over union (mIoU) across all categories above 95.5%. Furthermore, the model's operating speed surpassed 34 frames per second (FPS).CONCLUSIONThis study introduces a novel method that accurately segments crop pixels to form a mask, identifying vegetation outside this mask as weeds. By focusing on crop segmentation, the method avoids the complexity associated with diverse weed species, varying densities, and different growth stages. This approach offers a practical and efficient solution to facilitate the training of effective computer vision models for precision weed detection and control. © 2024 Society of Chemical Industry.
Testing low‐risk bioactive compounds on Halyomorpha halys: an improved pipeline of analyses to investigate their effects on the bacterial endosymbiont Candidatus Pantoea carbekii
Authors: Checchia Ilaria , Andreolli Marco , Lanza Francesco , Santoiemma Giacomo , Mori Nicola , Pasini Massimiliano , Lampis Silvia , Felis Giovanna E 
Published: November 2024

AbstractBACKGROUNDThe brown marmorated stink bug Halyomorpha halys has become an invasive insect pest of many crops. A promising control strategy to manage the proliferation of H. halys is based on the suppression of its obligate and vertically transmitted uncultivated symbiotic bacterium Candidatus Pantoea carbekii through surface‐sterilization of H. halys eggs. Indeed, the application of antimicrobial formulations on the eggs of H. halys could cause mortality of endosymbiont and consequently of newly emerged nymphs.In this study, a microbial live/dead assay was applied directly on H. halys eggs to evaluate Ca. P. carbekii loss of viability after treatments with seven commercial formulations including fungicides (copper hydroxide, sulphur, sweet orange essential oil) and plant biostimulants (flavonoids and chestnut tannin extract) compared with two disinfectants for civil and industrial use (sodium hypochlorite/hydrated sodium/tetraborate decahydrate and peracetic acid/hydrogen peroxide). Impact of mode of application was also evaluated, as surface treatment of egg masses was performed through spraying and dipping in laboratory conditions. Antimicrobial activity data were finally complemented with observations of egg hatching and vitality of the nymphs.RESULTSThe optimization of live/dead staining is useful for evaluating Ca. P. carbekii mortality directly on eggs, providing a rapid and reliable culture‐independent approach. Sodium hypochlorite, copper, sulphur, tannins and sweet orange essential oil showed an antimicrobial effect against Ca. P. carbekii and a H. halys egg hatching reduction and nymph's vitality.CONCLUSIONSThe antimicrobial and insecticidal effects of these commercial products should be further studied to assess their in‐field efficiency as well as the impact of these substances on non‐target organisms. The approach followed in this study could be considered a robust pipeline of analyses to evaluate the effectiveness of antimicrobial eco‐friendly compounds in symbiotic control of H. halys. © 2024 Society of Chemical Industry.
Case report: A finding of PVOD and PAH in first degree relatives suggests shared heritable risk and overlapping features of both pulmonary vascular diseases
Authors: Winters Roger , Forbes Lindsay M. , Ivy Dunbar , Cool Carlyne , Park Bryan D. , Hountras Peter , Badesch David , Gu Sue , Spiekerkoetter Edda , Zamanian Roham , LeierGluck Stacey , Bull Todd M. 
Published: November 2024

AbstractPulmonary veno‐occlusive disease (PVOD) is a rare form of pulmonary vascular disease that is difficult to distinguish clinically from pulmonary arterial hypertension (PAH). Multiple genes have been implicated in disease pathogenesis in PAH and PVOD and the diseases are thought to be genetically distinct. In this report we present a case of first‐degree relatives with pathological evidence of PVOD and PAH. The index patient was diagnosed with PAH at age 42, was treated with escalating pulmonary vasodilator therapy, but eventually succumbed to her disease. On autopsy, her pathology was consistent with PAH. Her son was diagnosed with PAH at age 16, did well on pulmonary vasodilator therapy for over 10 years, but ultimately developed refractory right ventricular failure and received a heart and lung transplantation. Pathology of his explanted lung was consistent with PVOD, and genetic testing was negative for recognized variants that cause PAH or PVOD.
Unveiling a rare haemorrhagic malignant pleural effusion: The role of medical thoracoscopy in diagnosing primary pleural angiosarcoma
Authors: Chong Ad Rian , Ng Khai Lip , Huan Nai‐Chien , Mohd Aminudin Nur Husna , Ahmad Sharifuddin Maryam , Raja Rahaizat Raja Nor Adilla , Mohamed Nordin Kasuma 
Published: November 2024

AbstractPrimary pleural angiosarcoma (PPA) is a rare and challenging tumour to diagnose, often mistaken for other malignancies such as mesothelioma and lung cancer due to overlapping clinical and imaging features. We report a 52‐year‐old woman who presented with progressive shortness of breath and pleuritic chest pain. Imaging studies and thoracentesis revealed a large haemorrhagic left pleural effusion. Medical thoracoscopy (MT) showed a thickened and lobulated parietal pleura with multiple nodular lesions. Histopathological examination confirmed a diagnosis of angiosarcoma, characterized by pleomorphic tumour cells, a high Ki67 proliferation index and positive immunohistochemical markers, including CD31, D2‐40, Vimentin, and Factor VIII. Tragically, the patient developed a hospital‐acquired infection and passed away before any definitive treatment for the angiosarcoma could be initiated. This case underscores the diagnostic complexities of PPA and highlights the utility of MT in identifying this rare malignancy.
Binary Observation‐Based FIR System Identification Against Replay Attacks
Authors: Zhang Qingxiang , Guo Jin 
Published: November 2024

ABSTRACTIn the context of the increasing security issues of cyber‐physical systems (CPSs), this paper addresses the parameter identification of binary observation‐based finite impulse response (FIR) systems under replay attacks, overcoming the problem of high nonlinearity of quantized systems and greater data sparsity caused by replay attacks. For the attacker, based on the energy‐constrained condition, an optimization attack model is established to maximize the absolute error of identification, giving the method of obtaining the optimal attack strategy. Following the defender, the identifiability of unknown parameters is discussed and a robust defense scheme is proposed. This scheme involves a joint identification strategy for both the attack strategy and unknown parameters. By enhancing the excitability of system inputs, consistent identification is ensured despite replay attacks. An algorithm for the accomplishment of the joint identification strategy is presented based on the grid search method. Rationality of the method is confirmed with performing numerical simulations.
Response‐Adaptive Randomization Procedure in Clinical Trials with Surrogate Endpoints
Authors: Gao Jingya , Hu Feifang , Ma Wei 
Published: November 2024

ABSTRACTIn clinical trials, subjects are usually recruited sequentially. According to the outcomes amassed thus far in a trial, the response‐adaptive randomization (RAR) design has been shown to be an advantageous treatment assignment procedure that skews the treatment allocation proportion to pre‐specified objectives, such as sending more patients to a more promising treatment. Unfortunately, there are circumstances under which very few data of the primary endpoints are collected in the recruitment period, such as circumstances relating to public health emergencies and chronic diseases, and RAR is thus difficult to apply in allocating treatments using available outcomes. To overcome this problem, if an informative surrogate endpoint can be acquired much earlier than the primary endpoint, the surrogate endpoint can be used as a substitute for the primary endpoint in the RAR procedure. In this paper, we propose an RAR procedure that relies only on surrogate endpoints. The validity of the statistical inference on the primary endpoint and the patient benefit of this approach are justified by both theory and simulation. Furthermore, different types of surrogate endpoint and primary endpoint are considered. The results reassure that RAR with surrogate endpoints can be a viable option in some cases for clinical trials when primary endpoints are unavailable for adaptation.
Applications and Efficacy of Minoxidil in Dermatology
Authors: Hussein Ramadan S. , Dayel Salman Bin , Abahussein Othman , El-Sherbiny Abeer Ali 
Published: November 2024

Abstract
Minoxidil, originally developed as an antihypertensive medication, has evolved into a versatile therapeutic agent within dermatology, notably for its effectiveness in promoting hair growth. Despite its widespread use, understanding its precise mechanism of action remains a challenge. This paper addresses this gap by providing a comprehensive review of pharmacological properties, action mechanisms, clinical effectiveness and side effects associated with topical minoxidil. Furthermore, it highlights emerging trends and applications, including its role in treating androgenetic alopecia, its potential for alopecia areata management and its utilization in combination therapies. Additionally, this paper explores novel applications in scar treatment and wound healing. By synthesizing current knowledge and insights, this review adds clarity to the diverse applications of minoxidil, providing valuable guidance for clinicians and researchers aiming to optimize its therapeutic use in dermatology.
Microwave Assisted One‐Pot Synthesis of Fused[1,2,3]Triazolo[4′,5′:3,4]Pyrrolo[1,2‐c]Pyrimidines as Potent Anticancer Agents
Authors: Thatikonda Raveendar Reddy , Merugu Karuna Sree 
Published: November 2024

AbstractSynthetic chemists have organized easy and effective ways to achieve perfect synthesis in response to the requirement for scaffolds that are crucial for medical applications. A general strategy was developed for the synthesis of fused [1,2,3]triazolo[4′,5′:3,4]pyrrolo[1,2‐c]pyrimidines using one‐pot CuI‐catalyzed cycloaddition followed by C─C bong coupling. The cancer activity of the synthesized compounds was then tested in vitro against two lung cancer cell lines and some compounds showed potent activity compared to the primary standard, 5‐FU. We also found EGFR properties in the potent compounds and the results showed that compounds 1‐(3,5‐difluorophenyl)‐7‐methyl‐1,4‐dihydro‐6H‐[1,2,3]triazolo[4′,5′:3,4]pyrrolo[1,2‐c]pyrimidine‐6,8(7H)‐dione, and 1‐(3,5‐dichlorophenyl)‐7‐methyl‐1,4‐dihydro‐6H‐[1,2,3]triazolo[4′,5′:3,4]pyrrolo[1,2‐c]pyrimidine‐6,8(7H)‐dione were strong EGFR inhibitors compared to remaining compounds. We also carried out in silico studies to assess the molecular interactions of more potent compounds with EGFR proteins (PDB: 4HJO). Our findings revealed that all potent compounds exhibited more binding interactions than standard erlotinib (‐7.69 K cal/mol) with binding energies from −8.22 to −9.45 K cal/mol.
Correlating Personality Traits With Acute Stress Responses in Earthquake Simulations: An HRV and RESP Analysis
Authors: Li Jing , Zhu Jingzheng , Guan Cheng , Shen Tong , Zhou Biao 
Published: November 2024

ABSTRACTEarthquakes, as significant natural disasters, still cannot be accurately predicted today. Although current earthquake early warning systems can provide alerts several seconds in advance, acute stress responses (ASR) in emergency situations can waste these precious escape seconds. To investigate the correlation between personality and ASR, this study collected the temperament and character of all participants using the Chen Huichang‐60 Temperament Scale and the DISC Personality Inventory. In addition, this study simulated growing earthquakes in an earthquake experience hall, collecting heart rate variability and respiration signal variations throughout the process from subjects. Multivariate analysis of variance (MANOVA) and Toeplitz Inverse Covariance‐Based Clustering methods were used to analyse the differences and connections between them. Furthermore, this study employed a deep learning model that combines Convolutional Neural Networks (CNN) and Long Short‐Term Memory (LSTM) to predict ASR across personalities. This model used datasets from the majority dataset of a certain personality and a single participant, respectively, and showed different performance. The results are as follows. After categorising participants based on personality test results, MANOVA revealed significant differences between the personality groups Influence‐Choleric and Influence‐Sanguine (p = 0.001), Influence‐Phlegmatic and Steadiness‐Sanguine (p = 0.023), Influence‐Sanguine and Steadiness‐Sanguine (p < 0.001) and Influence‐Sanguine and Steadiness‐Phlegmatic (p < 0.001), as well as across different earthquake stages (p < 0.01). The clustering method quantified stress responses over time for different personalities and labelled ASR levels for use in supervised learning. Ultimately, the CNN‐LSTM model performed predictions of ASR using both personality and individual datasets, achieving the AUC of 0.795 and 0.72, demonstrating better prediction and classification effectiveness with the former. This study provides a new personality‐based method for earthquake stress management, creating possibilities for longitudinal stress research and prediction. It aids the general public in comprehending their own acute stress and allows authorities and communities to make practical, efficient disaster evacuation plans based on the overall situation of public ASR.
Residual compressive strength of EPS lightweight concrete under heating–air cooling regime
Authors: Maghrebi Leila , Sabeur Hassen , Miled Karim 
Published: November 2024

AbstractThis paper presents an experimental study on the evolution of the residual compressive strength of expanded polystyrene (EPS) lightweight concrete submitted to different heating–air cooling regimes. Cubic concrete specimens with three EPS volume fractions (10%, 30%, and 50%) and three EPS beads diameters (2, 4, and 6 mm) were tested. Various temperature plateaus were applied ranging from 100 to 700°C by steps of 100°C, with an average temperature rise rate of 5°C/min. The plateaus were kept maintained for 2 h. Then, a compressive test was performed on each lightweight concrete specimen after allowing it to cool down to room ambient temperature for 24 h. The results showed a significant decrease in the EPS concrete residual compressive strength with increasing EPS volume fraction. Further, it was observed that the variation in the EPS beads diameter for the same volume fraction of polystyrene has a small effect on the residual compressive strength of EPS concrete. Finally, it was found also that lightweight concrete retains 80% of its strength at ambient temperature up to the plateau temperature of 500°C followed by an important degradation above 500°C.
External Field‐Assisted Metal–Air Batteries: Mechanisms, Progress, and Prospects
Authors: Cao Ruien , Liu Limin , Yu Wei , Ding Shujiang 
Published: November 2024

ABSTRACTMetal–air batteries are an appealing option for energy storage, boasting a high energy density and environmental sustainability. Researchers focus on the catalyst design to solve the problem of sluggish cathode reaction kinetic. However, in some cases, where thermodynamic regulation is required, the role of catalysts is limited. Based on catalysts changing reaction kinetics, external fields can change the thermodynamic parameters of the reaction, further reduce overpotential, and accelerate the reaction rate. By selecting appropriate external fields and adjusting controllable variables, greater flexibility and potential are provided for reaction control. This paper reviews the basic principles by which several external fields influence metal–air batteries. Additionally, some design strategies of photoelectrode materials, the similarities and differences of different magnetic field effects, and some research progress of the ultrasonic field, stress field, and microwave field are systematically summarized. Multifield coupling can also interact and produce additive effects. Furthermore, introducing external fields will also bring about the problem of aggravated side reactions. This paper proposes some research methods to explore the specific reaction mechanism of external field assistance in more depth. The primary objective is to furnish theoretical direction for enhancing the performance of external field‐supported metal–air batteries, thereby advancing their development.