bluuebunny/crossref_metadata_2025 huggingface dataset:
Magneto‐Electroluminescence Responses Mediated by Magneto‐Conductance in Polymer and Thermally Activated Delayed Fluorescence‐Emitter‐Based Light‐Emitting Diodes
Authors: Mujahid Anas , Lin Yulin , Li Chih‐Ting , Liu Wei‐Cheng , Lee Yi‐Ting , Guo Tzung‐Fang
Published: December 2024

The magneto‐electroluminescence (MEL) responses of polymer and thermally activated delayed fluorescence‐emitter‐based light‐emitting diodes (TADF LEDs) under constant voltage and current regimes are characterized to elucidate that the current as regulated by magneto‐conductance (MC) mediates MEL of devices. Through the analytical fitting of MC and MEL curves, it is disclosed that MC (as interpreted by the polar pair model) partially involves the changes in the curve features, magnitudes, and shapes of MEL responses. A negative curve feature in the MEL response of TADF‐based LEDs is visualized under the electric bias in a low magnetic field regime. This feature should be attributed to the mediation of the MEL by the negative MC due to the unbalanced carrier dynamics of the device. When carrier dynamics are balanced, the specific negative curve feature at low magnetic field regime disappears. In this work, the solid correlation between the MEL and MC responses is revealed and the negative curve feature of MEL under the constant voltage at the low magnetic field regime that involves the contribution from the triplet exciton charge reaction in TADF‐based LEDs is validated.
Metal‐Free Visible‐Light‐Induced Direct Synthesis of Alkyl‐Substituted Phosphonodithioates from White Phosphorus (P4)
Authors: Wang Fengxiao , Zhang Xiyuan , Xu Jiaming , Shen Qitao , Jiang Bo , Miao Zhiwei
Published: December 2024

The direct synthesis of organic phosphorus compounds from white phosphorus (P4) is a longstanding challenge in organic synthesis. Here, we present a novel visible light‐induced three‐component functionalization reaction that integrates P4, disulfide compounds, and N‐hydroxyphthalimide (NHPI) esters to produce alkyl‐substituted phosphonodithioates in a one‐pot process. Using 2,4,5,6‐tetrakis(carbazol‐9‐yl)‐1,3‐dicyanobenzene (4CzIPN) as a photocatalyst, blue LEDs (456 nm) as the light source, and N,N‐diisopropylethylamine (DIPEA) as the reducing agent in an acetone‐toluene solvent system, this method achieves moderate to good yields of structurally diverse phosphonodithioates. The reaction proceeds under mild conditions, ensures complete conversion of P4, avoids chlorination, and uses inexpensive, readily available starting materials, offering potential for large‐scale applications.
Proline‐Selective Electrochemiluminescence Detecting a Single Amino Acid Variation Between A1 and A2 β‐Casein Containing Milks
Authors: Kim Eunkyoung , Chen Chen‐Yu , Chu Monica J. , Hamstra Mya F. , Bentley William E. , Payne Gregory F.
Published: December 2024

The proline amino acid and prolyl residues of peptides/proteins confer unique biological and biochemical properties that motivates the development of proline‐selective analysis. The study focuses on one specific class of problem, the detection of single amino acid variants involving proline, and reports a Pro‐selective electrochemiluminescence (ECL) method. To develop this method, the A1‐/A2‐ variants of milk's β‐casein protein are investigated because it is a well‐established example and abundant samples are readily available. Specifically, β‐casein has 209 amino acids with 34 (or 35) proline residues: the A1‐variant has a Pro‐to‐His substitution at position 67 (relative to the A2 variant). The study shows that proline's strong luminescence allows the generic discrimination of: Pro from other amino acids; an A2‐oligopeptide from an A1‐oligopeptide; the A2‐β‐casein variant from the A1‐variant; and commercially‐available A2 milks from A1‐containing regular milks. The evidence indicates that luminescence depends on proline content and accessibility, as well as signal quenching. Compared to conventional immunoassays, the ECL method is simple, rapid, and inexpensive. Further, the ECL‐method is Pro‐selective (vs molecularly‐selective like typical immunoassays) which should make it broadly useful for studying the role of proline in biology and especially useful for tracking the digestion of proline‐rich proteins in the diet.
How do farmers respond to Workers' compensation insurance premiums, hazards, and claim contagion? Empirical evidence from Taiwan
Authors: Chang Hung‐Hao , Just David R. , Zilberman David
Published: December 2024

Workers' compensation benefits are of significant importance to employees generally, though relatively little is known about their application to agricultural workers. We examine how farmers respond to workers' compensation by exploiting the introduction of a unique Farmer Occupational Injury (FOI) program in Taiwan. The FOI provides farmers with income compensation for medical expenses, losses caused by temporary and permanent disability or death, and funeral expenses. We examine farmers' participation decisions and the timing of participation in the program. Using the individual‐level administrative records of the program and a two‐part econometric model, the estimated elasticities of the out‐of‐pocket insurance premium and environmental risk to FOI enrolled days are −0.36 and 0.27, respectively. Claim contagion, a form of moral hazard, has been discussed in the context of workers' compensation programs, though little prior work exists. Using aggregate township‐level panel data, we find evidence of the claim contagion effect. We find that a 1% increase in the cumulative compensation payments increases the number of claims filed in the following period by 0.14%. We also find significant claim contagion for temporary disability and funeral allowance claims, but not for permanent disability.
Assessing research output quality in agricultural economics
Authors: Kassas Bachir , Orivri Glory E. , Palma Marco A. , Ramirez Octavio
Published: December 2024

A strong research program is crucial for academic faculty, as it influences promotions, tenure, salary raises, and professional recognitions/awards. We summarize relative journal rating/ranking metrics from multiple sources, and for selected journals commonly targeted by agricultural economists, to provide insights on their perceived value. We also present combined results from a survey, measuring perceptions of agricultural economists in the US regarding research quantity/quality expectations for tenure/promotion, and actual research metrics from CVs of faculty in US higher education institutions who recently received tenure. We hope this article provides useful insights for junior faculty to better understand the assessment of their research output.
Characterizing binary droplet collisions of power‐law fluids
Authors: Huijgen Arie H. , Durubal P. M. , Llamas Cristina García , Buist Kay A. , Kuipers J. A. M. (Hans) , Baltussen Maike W.
Published: December 2024

This study focuses on the dynamics of two equal‐sized droplets of non‐Newtonian liquids with simulations using the volume of fluid method and the local front reconstruction method. The non‐Newtonian behavior is implement via a power‐law model. The droplet interactions are performed for Weber numbers ranging from 20 to 300 and impact parameters from 0 to 0.6. Both methods produce similar results at low Weber numbers, while the disintegration of the droplets at high Weber numbers occurs via different mechanisms. Our results demonstrate that the boundaries of the collision maps are highly dependent on the power‐law index. Additionally, the diameter of the ring for head‐on collisions is increased with increasing Weber number and decreasing power‐law index, while the critical ligament length in off‐center collisions increases with Weber number and power‐law index.
Ultrafast synthesis and binder‐free fabrication of a monolithic metal–organic framework for efficient carbon capture
Authors: Ding Qi , Liu Yulong , Liu Jia , Cheng Jingyue , Zhang Zhaoqiang , Chai Kungang , Zhang Sui
Published: December 2024

Achieving rapid synthesis alongside efficient shaping without sacrificing high porosity and crystallinity poses significant challenges for metal–organic frameworks (MOFs) in practical applications. Here, we report an ultrafast, scalable method for preparing an ultramicroporous MOF at room temperature. This method achieves a space–time yield significantly higher than conventional MOF synthesis by orders of magnitude. As a result of strongly promoted crystal nucleation by careful selection of solvent and metal source, the MOF material is produced in a gel state offering both high crystallinity and processability. This allows for the binder‐free fabrication of monolithic adsorbents with predesigned macro shapes and sizes. Owing to its narrowly distributed pore size and high‐density open metal sites, the monolithic adsorbent demonstrates top‐tier selectivity for CO2/N2 (>200) and CO2/CH4 separations. The performance sets a new benchmark among current MOF xero‐ or aerogel monoliths. Breakthrough experiments further verify its robust ability for carbon capture under dynamic conditions.
The contact angle and structure of water on the graphite‐like substrate: A classical density functional approach
Authors: Sang Jiarong , Wei Feng , Jin Junsu
Published: December 2024

The influences of temperature and water−graphite interaction energy on the contact angle (θ) and structure of water on the graphite‐like substrate have been investigated using the classical density functional theory. We find that the temperature‐dependent behavior of cosθ is contingent upon the water−graphite interaction energy, manifesting in three distinct patterns: increasing, decreasing, or remaining nearly invariant with temperature within the examined range (273.16–640K). Furthermore, a novel simple equation has been derived to describe the temperature‐dependent variation of cosθ at constant water−graphite interaction energy, that is, , where is the water−vapor interfacial tension, and the value of depends on the water−graphite interaction energy. According to different values of , this equation is able to successfully represent the three aforementioned patterns. At last, the density profile and hydrogen bonding structure of water near the substrate have been analyzed to offer microscopic insights.
Phenological indicators of resources offered to leaf herbivores in restinga communities
Authors: da Silva Maiara Matilde , Boeger Maria Regina Torres , de Melo‐Júnior João Carlos Ferreira
Published: December 2024

Premise

Plants can limit the leaf tissue consumed by insect herbivores through chemical, structural, and nutritional leaf defenses or by escaping in space and time. Escaping is related to the phenological patterns of plants, which in turn respond to climatic factors. This study evaluated leaf production in a coastal plant community in southern Brazil to test the following hypotheses: (1) Leaves are continuously produced in this ecosystem, and (2) synchrony acts as an escape strategy from herbivory.

Methods

We evaluated leaf production patterns of 20 herbaceous, shrub, and tree species for 2 years using the Fournier index then measured leaf consumption in the second year. The Rayleigh test was used to verify the synchrony of phenological events. Correlations between leaf production and climatic factors and between leaf production synchrony and herbivory were analyzed.

Results

New leaves were continuously produced at the plant community scale, but herbaceous and shrub species showed a phenological pattern distinct from that of tree species. Trees had peaks of synchrony in leaf production that were positively correlated with amount of leaf tissue consumed, refuting the hypothesis that synchrony acts as an escape strategy.

Conclusions

The phenological and herbivory patterns in this plant community may be due to the supply of resources in the soil and the composition of the insect community.
Cascading Water Activation and Interfacial Lattice Oxygen over Nanocluster CuOx‐Modified MnO2 for Electrocatalytic Propylene Oxidation
Authors: Cheng Ming , Lan Jintong , Sun Xiaoxian , Wang Fanyu , Tuerdi Ailijiang , Jia Falong , Guo Yanbing , Liu Xiao
Published: December 2024

Direct electrooxidation of propylene using water‐oxidation intermediates represents a promising route for propylene glycol production. Unfortunately, this economic and environmentally friendly process suffers from low yield and poor Faradaic efficiency resulting from the mismatched oxidative capacity of reactive oxygen species and pronounced side reactions. Herein, we developed an earth‐abundant metal‐based nanocluster CuOx‐modified MnO2 catalyst for the efficient electrooxidation of propylene into propylene glycol, achieving a remarkable production rate of 63.0 g/m2/h and 95 % Faradaic efficiency at 1.3 V vs. Ag/AgCl. Mechanistic studies revealed that the oxygen vacancy‐mediated water activation on CuOx‐MnO2 in synergy with the activated interfacial lattice oxygen drove the propylene oxidation to a novel *OOH pathway rather than the traditional *OH route. Additionally, the interfacial interactions intensified the propylene adsorption and polarization for its activation. This work offers new insights into the mechanism of electrocatalytic propylene oxidation and presents great opportunities for the synthesis of commercial chemicals based on earth‐abundant metal catalysts and renewable electricity‐driven route.
Facilitating Rapid OH−/H2O Transport in Anion Exchange Membranes via Ultra‐Stable Heteroatom‐Free Micropores
Authors: Pang Maobin , Xu Ziang , Lin Dongcheng , Zhen Yihan , Tian Jiekang , Liu Jing , Xu Qin , Wang Baoguo
Published: December 2024

Efficient OH− conduction in anion exchange membranes (AEMs) is pivotal for the advancement and industrialization of sustainable electrochemical technologies in alkaline environments, including water electrolysis, fuel cells, and CO2 electroreduction. We here designed AEMs with a novel class of rigid heteroatom‐free micropores (HFMs), engineered at the molecular level to facilitate rapid ionic transport in an ultra‐stable manner. By manipulating monomers, our design strategically controls the torsional angles and energy barriers within the polymeric backbones, creating sub‐nanometer ionic channels that precisely regulate porosity. These hydrophilic micropores significantly enhance the mobility of OH−/H2O, achieving over a 150 % increase in self‐diffusion coefficient compared to commercial AEMs and elevating OH− conductivity to a leading 215 mS cm−1 at 80 °C. Moreover, the robust carbon‐carbon bond construction in HFMs offers the stability that is four orders of magnitude higher under severe alkaline conditions compared to existing wisdoms, with a demonstrated operational lifespan of over 4000 hours. The integration of HFM‐AEMs into water electrolyzers not only supports the use of platinum group metal‐free catalysts but also exhibits exceptional energy efficiency and extended durability, highlighting their substantial potential for wide‐ranging applications in emerging electrochemical technologies.
Development of High Strength, High Water Resistant, Low‐Formaldehyde Emission Urea‐Formaldehyde Adhesive and Its Effect on the Properties of Wood Composites
Authors: Tian Wei , Feng Hongyu , Wang Xiaoyi , Wu Weijie , Zeng Shiyi , Zhu Yaqin , Wang Jiangbo , Ye Yuhang , Mei Changtong , Liu Yuanqiang , Lu Lihua , Jiang Shaohua , Han Xiaoshuai
Published: December 2024

Urea–formaldehyde (UF) resin adhesive is one of the most widely applied in wood composite materials. However, it suffers from issues related to low water resistance and elevated levels of formaldehyde emission. In this study, polyamide–epichlorohydrin resin (PAE) was used as a modifier and crosslinking agent to prepare modified UF resin adhesives with high strength and water resistance using low molar ratio UF resin. The interaction between PAE, UF, and wood surface and the effect of PAE on the chemical structure, thermal stability, bonding strength, water resistance, adhesive layer characteristics, and formaldehyde emission of UF adhesive were studied. Compared with the pure UF adhesive, after adding 5% PAE, the dry bonding strength reached 1.405 MPa, which was 20.70% higher than that of the pure UF adhesive. At the same time, the wet bonding strength reached 1.188 MPa, which was increased by 33.33%. In addition, the formaldehyde emission of the prepared plywood was less than 1.5 mg/L, which met the E1 standard. This work presents a novel approach to address the challenge of balancing water resistance and formaldehyde emissions in UF resin adhesives, expanding the industrial utilization of UF resin wood adhesives.
Association Between Dimensions of Pathological Object Relations and Right‐Wing Conservatism
Authors: Yalch Matthew M.
Published: December 2024

Right‐wing conservatism in the United States has many features of psychological interest that evoke the question of what factors might be associated with it. One factor that may be of particular interest to psychoanalytically oriented social scientists is object relations, pathology in which is often operationalized in terms of three dimensions (identity diffusion, primitive defenses, and problems in reality testing). There are reasons to expect that each of these three dimensions might be associated with contemporary right‐wing conservatism, although this has not yet received much empirical examination. In this study we address this issue, examining the association between dimensions of pathological object relations and right‐wing conservatism in a broad sample of U.S. residents (N = 392) using a partial least squares approach to structural equation modeling. Results suggest that primitive defenses and reality testing problems are positively, and identity diffusion is negatively, associated with right‐wing conservatism. These findings have implications for how we might understand right‐wing conservatism and dialogue with those identifying with it.
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

The 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

The 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

Bladder 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

trans‐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

Purpose

The 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.

Method

Twenty 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.

Findings

The 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.

Conclusion

The 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 Registration

IRCT20220920056007N1.
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

Purpose

Amphetamine (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.

Method

We 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.

Findings

Our 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.

Conclusion

These 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

Victims 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

Accessory 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

Familial 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

Patients 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

Brenner 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

Insect 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

Osteoma 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

The 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

Background

Molecular 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.

Methods

Transcriptome 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.

Results

DEGs 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).

Conclusion

M2 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

Alzheimer'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

To 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

With 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.
TRPS1 Immunohistochemistry in Salivary Gland Neoplasms: Analysis on Cytology Cell Blocks and Surgical Follow‐Up Correlation
Authors: Geetha Saroja Devi , Ali Amr , Sheikh‐Fayyaz Silvat , Gimenez Cecilia , Chau Karen , Das Kasturi , Rosca Oana C.
Published: December 2024

Introduction

In this study we aim to analyze the TRPS1 immunostaining of salivary gland tumors (SGT) on cytology cell blocks and compare the staining pattern on subsequent surgical resections.

Methods

Malignant SGTs, oncocytomas and basal cell adenomas diagnosed on fine needle aspiration were retrieved from 2019 to 2021 database. Cases with surgical follow‐up were selected. TRPS1 staining was performed on cytology cell blocks and surgical specimens. Scoring was interpreted by two pathologists independently.

Results

Our cohort comprised of 58 cases: 45 malignant and 13 benign. TRPS1 scoring was interpreted for 44 cytology and 51 surgical cases. 14 cytology cases lacked tumor cells on deeper levels. For 7 cases, surgical blocks were not retrievable. TRPS1 positivity for cytology and surgical cases were 52% and 47% respectively. In the malignant cohort, TRPS1 was positive in 21/32 (66%) cytology cases and 21/43 (56%) surgical cases. All cases of basal cell adenocarcinoma, carcinoma ex pleomorphic adenoma and salivary duct carcinoma were TRPS1 positive on cytology. All cases of adenoid cystic carcinoma and acinic cell carcinoma were TRPS1 positive on surgical resections. In the benign cohort, TRPS1 was positive in 2/12 (17%) cytology cases; however, none of the surgically resected benign cases showed reactivity (0/8). Cytology‐surgical correlation of TRPS1 staining was done in 37 cases. We found 21 concordant and 16 discordant cases. Discordance was highest in mucoepidermoid carcinoma.

Conclusion

TRPS1 is not an entirely specific marker for breast carcinoma. TRPS1 positivity was noted in a substantial number of salivary gland malignant neoplasms. Cases demonstrating discordance in TRPS1 staining pattern on cytology‐surgical correlation warrant further exploration.
Ruthenium Nitrosyl Porphyrins Coordinated with Aryloxides Containing Internal Hydrogen Bonds
Authors: Warhausen Adam J. , Zink Jeremy R. , Ross Bradley J. , Ramuglia Anthony R. , Londoño‐Salazar Jennifer , Shaw Michael J. , Richter‐Addo George B.
Published: December 2024

The synthesis, characterization, and redox behavior of aryloxide complexes containing an increasing number of internal hydrogen bonds (OEP)Ru(NO)(OArxH) (OEP=octaethylporphyrinato dianion; x=0, 1, 2) are reported. These nitrosyl aryloxide compounds were characterized by X‐ray crystallography, IR and 1H NMR spectroscopy. The IR spectra displayed υNO frequencies in the 1823–1843 cm−1 range with compounds possessing more internal hydrogen bonds demonstrating higher υNO frequencies due to diminished π‐backdonation to the Ru−NO fragment. Comparison of the distinct υNH and δN−H signals in the IR and 1H NMR spectra of the free and complexed OAr1H/OAr2H ligands support the notion of additional electron density being removed via intramolecular hydrogen bonding. Results of DFT calculations on the (porphine)Ru(NO)(OArxH) models (porphine=unsubstituted porphyrin) reveal that the HOMOs of these complexes have significant axial ligand contributions, whereas the HOMOs of the five‐coordinate [(porphine)RuNO)]+ cation resides mostly on the equatorial porphyrin macrocycle. The electrochemical results of these (OEP)Ru(NO)(OArxH) complexes in CH2Cl2 reveal first oxidations that occur at increasingly positive potentials when more internal hydrogen bonds are present. Based on the DFT and preliminary IR spectroelectrochemical results, we propose that the electrooxidations result in eventual dissociation of the axial aryloxide ligands.
A Green Synthetic Approach to Construct C2‐Quaternary Indolin‐3‐Ones at Room Temperature via Regioselective Oxidative Dearomatization of Indoles
Authors: Bhattacharjee Pinaki , Dey Sudip , Kar Salini , Rafi Mohammed , Sunnapu Prasad , Jaisankar Parasuraman
Published: December 2024

A new synthetic strategy for the construction of C2‐quaternary indole for the formation of Indolin‐3‐ones has been explored via indium(III) trifluoromethansulphonate catalyst at room temperature with TBHP as a green oxidant in water. This approach for the oxidative dearomatization process allows for the production of the natural product Halichrome A and a broad range of C2‐arylated Indolin‐3‐ones under a milder condition in very good yields. The oxidative self‐dimerization and self‐trimerization of various indole derivatives have also been achieved under the same conditions.
Sex‐based differences in swimming performance in 10‐years‐old‐and‐under athletes in short course national competition
Authors: Brown Gregory A. , Shaw Brandon S. , Shaw Ina
Published: December 2024

The need for sex‐segregated youth swimming is debated. A previous report indicates that male swimmers aged 10‐and‐under are 1%–2% faster than females in long course freestyle, butterfly, backstroke, and individual medley (IM), but not breaststroke events. Another report indicates that at age 10 males are 1%–2.5% faster than females in long course freestyle events. However, there are no evaluations for short course competitions. Therefore, the top eight performances for both sexes from the National Club Swimming Association Age Group Championships (a short course meet) for the years 2016–2023 in the 10‐and‐under age group were analyzed. Males were 1.16%–2.63% faster (p < 0.05; effect sizes 0.376–0.596) than females in the 50 yards (yd; 45.7 m), 100 yd (91.4 m), and 200 yd (182.9 m) freestyle, 100 yd backstroke, 50 yd breaststroke, 100 yd butterfly, and 100 and 200 yd IM. There were no significant sex‐based differences in the 500 yd (457.2 m) freestyle, 50 yd backstroke, 100 yd breaststroke, or 50 yd butterfly. The individual fastest time for a female was faster than for a male in the 50, 100, and 500 yd freestyle, 50 and 100 yd backstroke, 50 and 100 yd butterfly, and 100 yd IM. Although in eight out of 12 events the individual fastest times were from females, in eight out of 12 events the average male times were significantly faster. The present data suggest that although some exceptional individual 10‐and‐under female swimmers do exist, their performance is not representative of the typical sex‐based differences in swimming performance.