bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrasmall Bismuth Nanoparticles Supported Over Nitrogen‐Rich Porous Triazine‐Piperazine Polymer for Efficient Catalytic Reduction
Authors: Das Swapan K. , Chatterjee Rupak , Bhaumik Asim 
Published: December 2024

AbstractThe development of inexpensive and reusable nanocatalysts to convert the hazardous pollutant 4‐nitrophenol (4‐NP) into a valuable platform chemical 4‐aminophenol (4‐AP) is quite demanding due to environmental and public health concerns. Herein, we report a facile strategy for the preparation of supported Bi nanoparticles (NPs) over the surfaces of nitrogen‐rich porous covalent triazine‐piperazine‐3D nanoflowers (BiNPs@3D‐NCTP). SEM and TEM image analysis suggested 3D‐flower‐like morphology of the composite consisting of the self‐assembly of interweaving and the slight bending of the nanoflakes. The powder X‐ray diffraction (PXRD) analysis also confirmed the loading of Bi NPs. N2 sorption analysis suggested BET surface areas of 663 and 364 m2 g−1 for the 3D‐NCTP and BiNPs@3D‐NCTP materials, respectively. The large surface area, bimodal pores and 3D nanoflower architecture enable uniform loading of Bi nanoparticles, while its nitrogen‐rich functionality stabilizes and acts as a capping agent restricting further nanoparticle expansion. BiNPs@3D‐NCTP showed a 99.85 % conversion for the 4‐NP to 4‐AP within four minutes. The normalized rate constant of 38.3 min−1 mg−1 of BiNPs@3D‐NCTP catalyst for the reduction of 4‐NP suggested its superior catalytic efficiency. Nitrogen‐rich functionality activates the catalytic site to accelerate the reaction, while bimodal pores can promote the diffusion of reactant molecules. After five catalytic cycles, the nanocatalyst showed high chemical stability and negligible activity loss.
Estimating the Size and Composition of Customer Base Using Retail Transaction Data
Authors: Sokol Ondřej , Holý Vladimír 
Published: December 2024

ABSTRACTThe knowledge of the number of customers is the pillar of retail business analytics. In our setting, we assume that a portion of customers is monitored and easily counted due to the loyalty program while the rest is not monitored. The behavior of customers in both groups may significantly differ making the estimation of the number of unmonitored customers a nontrivial task. We identify shopping patterns of several customer segments which allows us to estimate the distribution of customers without the loyalty card using the maximum likelihood method. In a simulation study, we find that the proposed approach is quite precise even when the data sample is very small and its assumptions are violated to a certain degree. When a major violation is suspected, we suggest an interval approach. In an empirical study of a drugstore chain, we validate and illustrate the proposed approach in practice. The actual number of customers estimated by the proposed method is much higher than the number suggested by the naive estimate assuming the constant customer distribution. The proposed method can also be utilized to determine penetration of the loyalty program in the individual customer segments.
Knockdown of integrin β1 inhibits proliferation and promotes apoptosis in bladder cancer cells
Authors: Wang Jin‐feng , Wang Jian‐she , Liu Yang , Ji Bo , Ding Bei‐chen , Wang Ya‐xuan , Ren Ming‐hua 
Published: December 2024

AbstractBladder cancer (BC) is the most common urinary tract malignancy. Identifying biomarkers that predict prognosis and immune function in patients with BC can enhance our understanding of its pathogenesis and provide valuable guidance for diagnosis and treatment. Our findings indicate that increased ITGB1 expression is associated with higher clinical grade and stage, establishing ITGB1 as an independent prognostic risk factor for BC. Enrichment analysis revealed that the function of ITGB1 in BC was linked to the extracellular matrix. The experimental results showed that ITGB1 knockdown in the BC cell lines 5637 and RT112 reduced their proliferation, migration, and invasion. Furthermore, ITGB1 suppression promotes apoptosis in BC cells by inhibiting the PI3K‐AKT pathway. A prognostic risk model incorporating CES1, NTNG1, SETBP1, and AIFM3 was developed based on ITGB1, this model can accurately predict patient prognosis based on immunological status. In conclusion, this study shows that knockdown of ITGB1 can restrain the migratory and invasive capabilities of BC cells and accelerate apoptosis, and this role might be associated with PI3K‐AKT, highlighting its potential as a diagnostic marker and therapeutic target for BC.
Integrated Experimental and Mathematical Modeling to Guide Microbial Biocatalysis: Pseudomonas putida Conversion of L‐Phenylalanine to trans‐Cinnamic Acid
Authors: Antimanon Sompot , Jensen Sheila Ingemann , Woodley John M. 
Published: December 2024

ABSTRACTtrans‐Cinnamic acid (tCA) can be produced by the deamination of L‐phenylalanine using phenylalanine ammonia‐lyase (PAL). In bioprocesses, optimizing production processes to improve key performance metrics such as titer, rate, and yield has proved challenging. This study investigates tCA production in Pseudomonas putida KT2440 using a whole‐cell biocatalyst expressing four different PAL genes. Among these, RmXAL showed the highest titer and rate. Biocatalysis at pH 8.5 and 37°C were identified as the best conditions, giving a tCA concentration of 2.65 g L−1 and a production rate of 0.44 g L−1 h−1. To improve the metrics further, a decoupled bioprocess with various biocatalyst concentrations in the second stage was examined. With a whole‐cell biocatalyst concentration of 30 gDCW L−1, optimal process parameters were achieved, giving a titer of 29.88 g L−1, rate of 5.99 g L−1 h−1, yield on glucose of 0.27 g tCA g glucose−1, and yield on L‐phe of 0.75 g tCA g L‐phe−1. This study is the first report of a model that enables performance metrics to evaluate a suitable process for tCA production and provides valuable insights into tCA production using a decoupled bioprocess. This would appear applicable to larger‐scale production, paving the way for an efficient and sustainable industrial process.
Effect of Implicit Learning Methods With the External Focus of Attention on Bowling Skills in Children With Autism Spectrum Disorder: A Randomized Control Trial Study
Authors: Khodayari Mina , Yaali Rasoul , Ghadiri Farhad 
Published: December 2024

ABSTRACTPurposeThe aim of the current study was to compare implicit learning methods with an emphasis on the external focus of attention on bowling skill in autistic children.MethodTwenty children with autism spectrum disorder (ASD) were selected. After the participants were randomly divided into two groups, the pretest was performed, evaluating the participants both quantitatively (score of bowling pins falling) and qualitatively (TGMD3 subscale test of underhand ball throwing). Group A was trained using the errorless learning method with the external focus of attention, while Group B was trained using the analogical learning method with the external focus of attention.FindingsThe results showed that analogical learning with the external focus of attention has significant effects (p ≤ 0.05) on both bowling and underhand ball‐throwing skills in autistic children. Errorless learning with external focus of attention, on the other hand, had a significant effect (p ≤ 0.05) on the bowling skill.ConclusionThe results of the research showed that analogical learning with an external focus of attention can be effective in developing both bowling skill and underhand ball‐throwing skill in children with ASD; however, errorless learning with an external focus of attention was useful in developing bowling skill and failed to show a significant effect on enhancing the underhand ball‐throwing skill in children diagnosed with ASD.Trial RegistrationIRCT20220920056007N1.
d‐Amphetamine and Feeding States Cohesively Affect Locomotion and Motor Neuron Response in Zebrafish Larvae
Authors: Bansal Pushkar , Roitman Mitchell F. , Jung Erica E. 
Published: December 2024

ABSTRACTPurposeAmphetamine (AMPH) increases locomotor activities in animals, and the locomotor response to AMPH is further modulated by caloric deficits such as food deprivation and restriction. The increment in locomotor activity regulated by AMPH‐caloric deficit concomitance can be further modulated by varying feeding schedules (e.g., acute and chronic food deprivation and acute feeding after chronic food deprivation). However, the effects of different feeding schedules on AMPH‐induced locomotor activity are yet to be explicated. Here, we have explored the stimulatory responses of acutely administered D‐amphetamine in locomotion under systematically varying feeding states (fed/sated and food deprivation) and schedules (chronic and acute) in zebrafish larvae.MethodWe exposed wild‐type and transgenic [Tg(mnx1:GCaMP5)] zebrafish larvae to 0.7 µM concentration of AMPH and measured swimming activity and spinal motor neuron activity in vivo in real time. The analysis involved time‐elapsed and cumulative manner pre‐ and post‐AMPH treatment in four different caloric states including acute and chronic schedules of feeding and hunger. Both locomotor and motor neuron activities were compared in all four states in both fish lines.FindingsOur results show that locomotion and motor neuron activity increased in both chronic and acute food deprivation post‐AMPH treatment cumulatively. A steady increase in locomotion was observed in acute food deprivation compared to an immediate abrupt increase in chronic food‐deprivation state. The ad libitum‐fed larvae exhibited a moderate increase both in locomotion and motor neuron activity. Conversely to all other caloric states, food‐sated (acute feeding after chronic food deprivation) larvae moved moderately less and exhibited a mild decrease in motor neuron activity after AMPH treatment.ConclusionThese results reveal the importance of cohesive effects of feeding schedule and AMPH treatment by revealing the changes in stimulatory characteristics of AMPH on locomotion and motor neuron activity in acute and chronic feeding states.
Stranger Danger: Analyzing Offender Behaviors Based on Victim Approach Tactics in Sexual Homicide
Authors: Rossouw Zena , Beauregard Eric , Chopin Julien 
Published: December 2024

ABSTRACTVictims of sexual homicide may be deceived by perpetrators who use a friendly approach to gain access to them, making it difficult for the victim to assess the danger posed by the stranger. When investigating sexual homicides committed by strangers, investigators often lack direct information, including how the perpetrator gained access to the victim. To identify potential predictors of the approach method used in sexual homicides, this study analyzed the preferences and behaviors of sexual murderers who target strangers based on their approach method. The results of the logistic regression analysis showed that in comparison to offenders using “blitz” or “surprise” attacks, those using a deceptive “con” approach tended to have more male victims, exploit vulnerability, and exhibit post‐crime organization by relocating the victim's body and successfully disposing of the weapon used in the crime. Their crimes also more frequently involved oral sex and had lower rates of victim beating. This study discusses the investigative implications of these findings.
Incidental Finding of Isolated Accessory Mitral Valve Tissue in Two Adults
Authors: Wang Zhaofen , Du Fang , Zhu Hao , Song Yuzhe , Huang Lijuan , Yan Yi , Chang Peng 
Published: December 2024

ABSTRACTAccessory mitral valve tissue is a rare congenital anomaly often linked to the anterior mitral leaflet, diagnosed via echocardiography. It may cause left ventricular outflow tract obstruction, with prognosis depending on obstruction severity and regular monitoring essential in asymptomatic cases.
Familial Syringomas—A Case Report
Authors: Reemaul Jeanine , Cumberbatch Abigail , Edwards Robert Jeffrey 
Published: December 2024

ABSTRACTFamilial syringomas were diagnosed in a 37‐year‐old female with lesions on the vulva/face/trunk and with periorbital lesions in family members. A correct and early diagnosis of vulvar syringomas is important as these can be erroneously diagnosed as a STI (warts/molluscum contagiosum) which may result in unnecessary psychological distress.
Unique Pathological Findings of Polarized Calcium Oxalate Crystals in Spondylodiscitis of an ESRD Hemodialysis Patient: A Case Report
Authors: Mehrasa Parisa , Hadimaleki Sepideh , Shafiee Nadia , Khalaji Amirreza 
Published: December 2024

ABSTRACTPatients with end‐stage renal disease (ESRD) undergoing chronic hemodialysis are at an increased risk of developing spondylodiscitis, an infectious condition affecting the vertebral column. In this case report, we present a 22‐year‐old male with ESRD, a history of hyperoxaluria, nephrolithiasis, and anemia, who developed spondylodiscitis. Notably, pathological examination of tissue samples obtained during surgical intervention revealed the presence of polarized calcium oxalate crystals within the lumbar laminae and spinal discs, a rare finding in this clinical context. The deposition of these crystals may have contributed to the development and progression of spondylodiscitis by creating an environment conducive to bacterial growth and infection. This case highlights the importance of comprehensive pathological assessment in ESRD patients with spondylodiscitis, as it may uncover uncommon manifestations that could have implications for disease management. Further research is necessary to elucidate the underlying mechanisms of this rare presentation and its impact on the clinical course and treatment of spondylodiscitis in ESRD patients undergoing hemodialysis.
Management of a Borderline Brenner Tumor of the Ovary in a Premenopausal Woman in Northern Tanzania. A Rare Case Report and Review of the Current Literature
Authors: Lugata John , Makower Laetitia , Rapheal Ashley , Mwidibo Yusuph , Mchome Bariki , Mremi Alex 
Published: December 2024

ABSTRACTBrenner tumors are rare ovarian neoplasms that are typically small and unilateral. Most cases are benign; less than 5% of all Brenner tumors are borderline or proliferative. Brenner tumors originate from the follicular epithelium and consist of ovarian transitional cells surrounded by fibrous tissue. Here we present a case of a 49‐year‐old premenopausal woman from Northern Tanzania. This patient presented to our facility with acute abdominal pain. She also reported abdominal distention which was first noticed 12 months prior to presentation. Magnetic resonance imaging (MRI) identified a 21 × 17 × 5 cm complex cyst with a thickened wall on the right ovary. The radiological findings were suggestive of an ovarian cystadenoma; multiple intramural and subserosal uterine leiomyomas were also noted. A total abdominal hysterectomy (TAH) and bilateral salpingo‐oophorectomy (BSO) was performed. Histopathological findings identified an atypical proliferative borderline Brenner tumor of the right ovary. Postoperative recovery was uneventful, the patient was discharged and managed conservatively postoperatively.
Systemic Lupus Erythematosus Flare Triggered by Mosquito Bite Manifesting as Febrile Targetoid Rash
Authors: Khodeir Joe , El Hajj Hamad , Ohanian Paul 
Published: December 2024

ABSTRACTInsect bites can trigger disease flare in systemic lupus erythematosus, including atypical targetoid rash. Awareness of such triggers and appropriate preventive measures are crucial for effective SLE management.
Incidental Detection of Frontal Osteoma During Pre‐Rhinoplasty Imaging
Authors: Heidarizadeh Mehdi , Mohebiniya Maryam 
Published: December 2024

ABSTRACTOsteoma is the most common mesenchymal tumor. Recognizing their characteristic radiographic features is crucial for early diagnosis, prompt treatment, and patient follow‐up, preventing complications. This case report describes a patient with an incidentally detected osteoma of the frontal sinus found during unrelated imaging examinations.
Regioselective Dimerization of Methylcyclopentadiene inside Cucurbit[7]uril
Authors: Assaf Khaleel I. , Tehrani Foad N. , Quintero Guillermo E. , Hein Robert , Aliaga Margarita E. , Nau Werner M. 
Published: December 2024

AbstractThe molecular confinement within rigid macrocyclic receptors can trigger catalytic activity and steer the selectivity of organic reactions. In this work, the dimerization of methylcyclopentadiene (MCPD) isomers in the presence of cucurbit[7]uril (CB7) was found to display, besides a large rate acceleration, a striking regioselectivity in aqueous solution at pH 3, different from the products predominating in the absence of the supramolecular catalyst. Among the different possible regioisomers and diastereomers, the endo‐3,7‐dimethyl‐3a,4,7,7a‐tetrahydro‐1H‐4,7‐methanoindene adduct was selectively formed, which is otherwise found only as a minor product in the dimerization of neat MCPD or in commercial dimeric mixtures. This product originates from the reaction of the heteroternary complex of 1‐MCPD and 2‐MCPD within CB7, in which the methyl groups are positioned in an “anti‐diaxial” arrangement and point towards the open portals of the macrocycle, resulting in a preferred packing of the reacting cyclopentadiene rings. The selectivity of the dimerization of MCPD in the absence and presence of CB7 is supported by quantum‐chemical calculations.
M2 macrophage derived HMOX1 defines chronic rhinosinusitis with nasal polyps
Authors: Wang Enhao , Hao Yanghe , Song Jing , Yuan Jing , Hong Yu , Li Ying , Wang Yang , Wang Chengshuo , Wang Ming , Zhang Luo 
Published: December 2024

AbstractBackgroundMolecular signatures of chronic rhinosinusitis with nasal polyps (CRSwNP) related to macrophages remain unclear. This study aimed to develop a macrophage‐associated diagnostic signature for CRSwNP.MethodsTranscriptome data from 54 patients with CRSwNP and 37 healthy controls across GSE136825, GSE36830, and GSE72713 were used to identify differentially expressed genes (DEGs) between two groups. Gene Set Enrichment Analysis and Weighted Gene Co‐Expression Network Analysis pinpointed crucial pathways and gene clusters. A diagnostic model was created from these analyses and receiver operating characteristic curve (ROC), and further validated in our transcriptome data from 29 samples. Immune cell infiltration analysis was performed and linked those diagnostic genes to macrophages and verified by single‐cell RNA sequencing data. Immunofluorescence co‐staining of CD163 and HMOX1 was performed in nasal tissues. Mouse bone marrow‐derived macrophage (BMDMs) cultures were used in functional experiments. Correlations between the expression of HMOX1 and eotaxin genes were investigated.ResultsDEGs of CRSwNP versus control group were enriched in the INTERLEUKIN_4_AND_13_SIGNALING pathways. A four‐gene diagnostic model (HMOX1, ALOX5, F13A1 and ITGB2) was developed and demonstrated high diagnostic precision with an area under ROC curve of 0.980 for training dataset and 0.895 for test dataset. M2 macrophage presence and HMOX1 expression significantly correlated with CRSwNP (p < 0.001). Single‐cell RNA sequencing data underscored the altered cellular composition in CRSwNP, with HMOX1 notably expressed in M2 macrophages. Immunofluorescence staining highlighted the increased infiltration of CD163+ M2 macrophages in nasal mucosa samples of eosinophilic CRSwNP, which correlated with HMOX1 protein levels (p < 0.05). The HMOX1 inhibitor zinc protoporphyrin reduced the ratio of CD163 + HMOX1 + M2 macrophages in mouse BMDM cultures (p < 0.05). HMOX1 expression showed a strong positive correlation with the expression of eotaxin genes (CCL11, CCL24, and CCL26; p < 0.05 respectively).ConclusionM2 macrophage‐derived HMOX1 can be used as an innovative diagnostic signature for CRSwNP, which might be a potential regulator of eosinophilic inflammation.
Structure‐Based Virtual Screening and Biological Characterization of Novel BACE‐1 and Amyloid‐β Aggregation Inhibitors
Authors: Sharma Ankita , Nayak Madhusmita , Thakur Shikha , Jadhav Hemant R. , Bharate Sandip B. 
Published: December 2024

AbstractAlzheimer's disease (AD) is a complex neurodegenerative disorder having limited treatment options. The beta‐site APP cleaving enzyme 1 (BACE‐1) is a key target for therapeutic intervention in Alzheimer's disease. To discover new scaffolds for BACE‐1 inhibitors, a ChemBridge DIVERSet library of 20,000 small molecules was employed to structure‐based virtual screening. The top 45 compounds, based on docking scores and binding affinities, were tested for BACE‐1 inhibitory activity using a FRET assay. Four compounds, 18 (5353320), 20 (5262831), 29 (5784196) and 32 (5794006) demonstrated more than 35 % inhibitory activity at 10 μM. Notably, pyrazole‐5‐carbohydrazide 29 (5784196) exhibited BACE‐1 inhibition with an IC50 value of 14.5 μM and a ki value of 0.25 μM. Additionally, it also inhibits the self‐aggregation of β‐amyloid, with IC50 value of 14.87 μM. Molecular modeling and dynamics simulations provided insights into its interaction pattern and stability of the enzyme‐inhibitor complex. These findings suggest that virtual screening is an efficient and cost‐effective method for identifying potential leads for AD.
Computational Study of Electrochemical CO2 Reduction on 2D Graphitic Carbon Nitride Supported Single‐Atom (Al and P) Catalysts (SACs)
Authors: Wijesingha Manoj , Mo Yirong 
Published: December 2024

AbstractTo mitigate the adverse effects of CO2 emissions, CO2 electroreduction to small organic products is a preferable solution and potential catalysts include the single‐atom catalyst (SAC) which comprises individual atoms dispersed on 2D materials. Here, we used aluminium and phosphorus as the active sites for CO2 electroreductions by embedding them on the 2D graphitic carbon nitride (g‐C3N4) nano‐surface. The resulting M‐C3N4 (M=Al and P) SACs were computationally studied for the CO2 electroreduction using density functional theory (DFT) and ab‐initio molecular dynamics (AIMD) simulations. Computations showed that CO2 can be adsorbed to the active sites in forms of a frustrated Lewis pair (Al/N or P/N) or single atom Al or P. The adsorbed CO2 can be converted to various intermediates by gaining proton and electron (H++e−) pairs, a process simulated as electroreduction. While both SACs prefer to produce HCOOH with low potential determining steps (PDSs) and small overpotential values of 0.25 V and 0.08 V for Al‐C3N4 and P‐C3N4 respectively, to produce CH4, P‐C3N4 exhibits a lower potential barrier of 0.9 eV than Al‐C3N4 (1.07~1.17 eV).
Zero‐valent Transition Metal Intercalation into 2D Materials: Electronic Structure Modulation and Applications
Authors: An Guangyu , Wu Chuang , Chai Yarong , Xu Song , Xu Qun 
Published: December 2024

AbstractWith state‐of‐the‐art modulation of the electronic structure, novel physiochemical properties are anticipated for two‐dimensional (2D) materials for a wide variety of potential applications. Due to the presence of charge transfer from transition metal guests and 2D material hosts, intercalation of zero‐valent transition metal atoms into the van‐der Waals gap of 2D materials are ideal approach to tuning the electronic structure of 2D materials. In this paper, several electronic structure and activity investigations of zero‐valent transition metal intercalations of 2D materials, as well as the general concepts behind the experimental exploration were introduced. Specifically, the transition metal intercalation render 2D materials novel physicochemical properties with potential applications ranges from electrocatalysis, small molecule identification to spintronics. Based on the works and concepts introduced in this paper, several challenges and opportunities related to this field were proposed from our perspective.