bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorene vs. Spirobifluorene: Effect of the π‐System on TADF Properties
Authors: Silies Tim , Doltsinis Nikos L. , Daniliuc Constantin G. , Rizzo Fabio 
Published: September 2024

AbstractThere are many options to design a molecular structure that could result in thermally activated delayed fluorescence (TADF). One promising strategy is to use the donor‐π‐acceptor motive where an electron‐donating unit is linked to an electron‐acceptor via an aryl moiety like phenyl. While this approach is widely used and well understood, the performance of the chromophores can be limited by different energy loss pathways, e. g. internal conversion, or by π‐stacking. To circumvent these problems rigid structures with sterically demanding substituents are applied. In this work, we designed two TADF emitters based on phenothiazine and nitrile linked via spiro‐9,9’‐bi[fluorene] or 9,9‐dimethylfluorene and compared the effect of the linker on the physical properties of the dyes. This work emphasizes the importance of careful design of conjugated spacer for efficient TADF emitters.
Use of Bayesian probabilistic model approach in common bean varietal recommendation
Authors: Miranda Isabela R. , Dias Kaio Olimpio G. , Júnior José Domingos P. , Carneiro Pedro Crescêncio S. , Carneiro José Eustáquio S. , Carneiro Vinícius Q. , Souza Elaine A. , Melo Leonardo C. , Pereira Helton S. , Vieira Rogério F. , Martins Fábio A. D. 
Published: September 2024

AbstractRecommendation of new varieties is supported by value for cultivation and use (Valor de Cultivo e Uso [VCU]) trials. For a more reliable recommendation, it is necessary to identify methodologies that make better use of the genotype‐by‐environment interaction (GEI). The methodology proposed by Dias et al. is an alternative to take advantage of the GEI; it considers concepts of Bayesian models and probability methods of adaptation and stability analysis in a single model, classifying the genotypes regarding possible success based on a defined selection intensity. Thus, the aim of the present study was to explore the use of Bayesian probabilistic method for the purpose of recommend common bean (Phaseolus vulgaris L.) varieties. To that end, we used grain yield data from 15 genotypes of common bean evaluated in 42 environments distributed over different crop seasons, years, and locations in regard to VCU trials conducted from 2016 to 2018. Under a predefined selection intensity of 30%, the genotypes with greater marginal probability of superior performance were G01, G14, G07, G11, and G02. The genotypes with greater marginal probability of superior stability were G06, G07, G04, G03, and G12. Considering the joint probability of superior performance and yield stability, the genotypes G07, G14, G01, G11, and G04 stand out. Therefore, the use of the Bayesian probabilistic method showed promise in recommendation of common bean varieties.
Aqueous Electrochemical Direct Air Capture Using Alizarin Red S
Authors: Wenger Samuel R. , D'Alessandro Deanna M. 
Published: September 2024

AbstractDirect Air Capture (DAC) is an emerging form of atmospheric carbon dioxide removal. Conventional DAC sorbents utilize swings in temperature and/or pressure, which are energy intensive and hinders large‐scale deployment. In this work, we demonstrate a green, aqueous electrochemical DAC system that employs Alizarin Red S (ARS) as an electroactive capturing agent. The system has an estimated minimum theoretical energy requirement of 24.6 kJe/mole of CO2, demonstrated reversible electrochemical behavior over 100 cycles and 205 hours, and maintained an average coulombic efficiency of 100 % with an average capacity retention of 99.8 %. With a techno‐economic analysis, we highlight the impact of current density and electrode surface area on levelized costs, and we describe a path to lower the cost of DAC below US$500 per tonne of CO2.
Role of field ionization in laser pulse evolution during interaction of long laser pulse with gaseous hydrogen atoms
Authors: Khalilzadeh Elnaz , Chakhmachi Amir , Dehghani Zohreh 
Published: September 2024

AbstractIn this paper, the laser pulse evolution arising from the field ionization during the interaction of a long laser pulse with gaseous hydrogen atoms is investigated using the kinetic 1D‐3 V Particle‐In‐Cell (PIC) Smilei simulation code. After performing various simulations, it is shown that the field ionization of hydrogen atoms has a non‐negligible effect on the evolution of the laser pulse compared to the pre‐ionized plasma case. The results of our simulations show that the amount of these evolutions is strongly dependent on the parameters of the laser and initial ionization assumed. In this regard, two main mechanisms are responsible for the changes in the generated radiations and then the evolution of the laser pulse. When the average degree of ionization is weak, the backscattered Raman radiations can provide the necessary conditions for the chaotic behavior to occur and the laser pulse to evolve. When the laser and plasma pulse parameters (such as the laser pulse amplitude, hydrogen atoms density, and the rise time of pulse) are selected so that a strong space charge field is formed, the wave breaking (which happened faster due to density changes during the field ionization) is the main factor for evolutions in the laser pulse.
Proteomics of left ventricular structure in the Multi‐Ethnic Study of Atherosclerosis
Authors: Peterson Tess E. , Lima Joao A.C. , Shah Sanjiv J. , Bluemke David A. , Bertoni Alain G. , Liu Yongmei , Ngo Debby , Varadarajan Vinithra , Mychaleckyj Josyf C. , Johnson Craig W. , Psaty Bruce M. , Clish Clary B. , Taylor Kent D. , Durda Peter , Tracy Russell P. , Gerszten Robert E. , Rich Stephen S. , Rotter Jerome I. , Post Wendy S. , Pankow James S. 
Published: September 2024

AbstractAimsProteomic profiling offers an expansive approach to biomarker discovery and mechanistic hypothesis generation for LV remodelling, a critical component of heart failure (HF). We sought to identify plasma proteins cross‐sectionally associated with left ventricular (LV) size and geometry in a diverse population‐based cohort without known cardiovascular disease (CVD).Methods and resultsAmong participants of the Multi‐Ethnic Study of Atherosclerosis (MESA), we quantified plasma abundances of 1305 proteins using an aptamer‐based platform at exam 1 (2000–2002) and exam 5 (2010–2011) and assessed LV structure by cardiac magnetic resonance (CMR) at the same time points. We used multivariable linear regression with robust variance to assess cross‐sectional associations between plasma protein abundances and LV structural characteristics at exam 1, reproduced findings in later‐life at exam 5, and explored relationships of associated proteins using annotated enrichment analysis. We studied 763 participants (mean age 60 ± 10 years at exam 1; 53% female; 19% Black race; 31% Hispanic ethnicity). Following adjustment for renal function and traditional CVD risk factors, plasma levels of 3 proteins were associated with LV mass index at both time points with the same directionality (FDR < 0.05): leptin (LEP), renin (REN), and cathepsin‐D (CTSD); 20 with LV end‐diastolic volume index: LEP, NT‐proBNP, histone‐lysine N‐methyltransferase (EHMT2), chordin‐like protein 1 (CHRDL1), tumour necrosis factor‐inducible gene 6 protein (TNFAIP6), NT‐3 growth factor receptor (NTRK3), c5a anaphylatoxin (C5), neurogenic locus notch homologue protein 3 (NOTCH3), ephrin‐B2 (EFNB2), osteomodulin (OMD), contactin‐4 (CNTN4), gelsolin (GSN), stromal cell‐derived factor 1 (CXCL12), calcineurin subunit B type 1 (PPP3R1), insulin‐like growth factor 1 receptor (IGF1R), bone sialoprotein 2 (IBSP), interleukin‐11 (IL‐11), follistatin‐related protein 1 (FSTL1), periostin (POSTN), and biglycan (BGN); and 4 with LV mass‐to‐volume ratio: RGM domain family member B (RGMB), transforming growth factor beta receptor type 3 (TGFBR3), ephrin‐A2 (EFNA2), and cell adhesion molecule 3 (CADM3). Functional annotation implicated regulation of the PI3K‐Akt pathway, bone morphogenic protein signalling, and cGMP‐mediated signalling.ConclusionsWe report proteomic profiling of LV size and geometry, which identified novel associations and reinforced previous findings on biomarker candidates for LV remodelling and HF. If validated, these proteins may help refine risk prediction and identify novel therapeutic targets for HF.
Complement‐targeted therapeutics: Are we there yet, or just getting started?
Authors: Ricklin Daniel 
Published: September 2024

AbstractTherapeutic interventions in the complement system, a key immune‐inflammatory mediator and contributor to a broad range of clinical conditions, have long been considered important yet challenging or even unfeasible to achieve. Almost 20 years ago, a spark was lit demonstrating the clinical and commercial viability of complement‐targeted therapies. Since then, the field has experienced an impressive expansion of targeted indications and available treatment modalities. Currently, a dozen distinct complement‐specific therapeutics covering several intervention points are available in the clinic, benefiting patients suffering from eight disorders, not counting numerous clinical trials and off‐label uses. Observing this rapid rise of complement‐targeted therapy from obscurity to mainstream with amazement, one might ask whether the peak of this development has now been reached or whether the field will continue marching on to new heights. This review looks at the milestones of complement drug discovery and development achieved so far, surveys the currently approved drug entities and indications, and ventures a glimpse into the future advancements yet to come.
Mutagenicity of the agriculture pesticide chlorothalonil assessed by somatic mutation and recombination test in Drosophila melanogaster
Authors: Veber Bruno , do Amaral Flores Mariana , Lehmann Mauricio , da Rosa Carlos Eduardo , Hoff Mariana Leivas Müller 
Published: September 2024

AbstractChlorothalonil (CTL) is a pesticide widely used in Brazil, yet its mutagenic potential is not fully determined. Thus, we assessed the mutagenicity of CTL and its bioactivation metabolites using the somatic mutation and recombination test (SMART) in Drosophila melanogaster, by exposing individuals, with basal and high bioactivation capacities (standard and high bioactivation cross offspring, respectively), from third instar larval to early adult fly stages, to CTL‐contaminated substrate (0.25, 1, 10 or 20 μM). This substrate served as food and as physical medium. Increased frequency of large single spots in standard cross flies' wings exposed to 0.25 μM indicates that, if CTL is genotoxic, it may affect Drosophila at early life stages. Since the total spot frequency did not change, CTL cannot be considered mutagenic in SMART. The same long‐term exposure design was performed to test whether CTL induces oxidative imbalance in flies with basal (wild‐type, WT) or high bioactivation (ORR strain) levels. CTL did not alter reactive oxygen species and antioxidant capacity against peroxyl radicals levels in adult flies. However, lipid peroxidation (LPO) levels were increased in WT male flies exposed to 1 μM CTL. SMART and LPO alterations were observed only in flies with basal bioactivation levels, pointing to direct CTL toxicity to DNA and lipids. Survival, emergence and locomotor behavior were not affected, indicating no bias due to lethality, developmental and behavioral impairment. We suggest that, if related to CTL exposure, DNA and lipid damages may be residual damage of earlier life stages of D. melanogaster.
Thermal studies of a MEMS‐based pressure sensor for aerospace applications
Authors: Krishna B. Gopi , Murthy Katabathuni Ramana , Khan Khamar Zaman , Madav Vasudeva , Ashok Babu T. P. 
Published: September 2024

AbstractThe main objective of this study is to enhance heat transfer for the reduction of temperature in MEMS‐based piezoresistive high‐temperature pressure sensors. The main parameter that affects the sensor performance especially for Aerospace applications is higher operating temperature because there are many electronic components and devices that may fail due to higher temperatures. Prevention of overheating of the electronic components in the sensor is a challenge; hence, the study of heat transfer from hydraulic fluid is of utmost importance. Different types of fin surfaces to enhance the heat transfer rate are studied using ANSYS CFD (computational fluid dynamics). CFD simulations and experiments are carried out to design novel high operating temperature pressure sensors for aerospace applications. This in turn improves performance due to internal thermo‐piezoresistive amplification. In this paper, high‐temperature pressure sensors are designed by CFD analyses and experimentally analyzed for a better understanding of the distribution of temperature in the pressure sensor and thermal variation in the sensor and observe the changes during analysis. Extended fin surface concepts are introduced for better heat transfer and to reduce the fluid temperature inside the sensor that is transferred to the electronic components. ANSYS CFD analysis is carried out to determine the temperature distribution and two models are identified for experimental validation.
Vulnerability mining method of SOAP based on black‐box fuzzing
Authors: Ding Senyang , Xu Xianghua 
Published: September 2024

AbstractIn the span of over two decades since the dawn of the twenty‐first century, global Internet of Things security incidents have continued to break out. Currently, there remains no vulnerability mining method that can be seamlessly adapted to diverse test scenarios. In this paper, we proposed a simple object access protocol (SOAP) analysis and vulnerability detection method based on black‐box fuzzing, which is used to extract more information from the limited SOAP traffic and explore the vulnerabilities of some Internet of Things devices that communicate through SOAP or advanced protocols based on SOAP. We transformed SOAP protocol packets into abstract syntax trees (AST), using a more granular approach to extract the production and guide the mutation. Based on this algorithm, we propose an automatic black‐box fuzzer, termed SOAPFuzzer. When testing real camera devices from various manufacturers, 0‐day vulnerabilities were successfully found on different devices. At present, 0‐day vulnerabilities have been reported to the China National Vulnerability Database (CNVD), and vulnerability number CNVD‐2023‐43 801 and original vulnerability certificates have been obtained. In terms of packet reception rate, SOAPFuzzer is 10.7% and 12.4% higher than the current popular black‐box Fuzzer Boofuzz on the two camera devices, respectively.
Effect of Food on the Pharmacokinetics, Safety, and Tolerability of Budesonide Oral Suspension in Healthy Adult Participants: A Randomized Phase 1 Study
Authors: Prokopienko Alexander J. , Wang Junyao , Yajnik Vijay , Baratta Mike , Desai Nirav K. , Richmond Camilla A. , Suri Ajit 
Published: September 2024

AbstractBudesonide oral suspension (BOS) is a swallowed corticosteroid indicated for 12‐week therapy in eosinophilic esophagitis with minimal systemic exposure following administration. We aimed to assess the relative bioavailability of a single dose of BOS administered under fasting and fed (high‐fat/high‐calorie meal) conditions. Healthy adult volunteers (N = 20) were enrolled in an open‐label, single‐center, crossover study and were randomized (1:1) to receive a single oral dose of BOS 2.0 mg under fasting or fed conditions, with a 48‐h washout period before crossover to the alternative conditions. Serial plasma samples were collected before and up to 24 h after dosing. Pharmacokinetic (PK) parameters were calculated from plasma budesonide concentration–time profiles by noncompartmental analysis. The mean peak budesonide concentration (Cmax) was ∼13% lower under fed than under fasting conditions (604.1 vs 692.9 pg/mL). Areas under the concentration–time curves from dosing to the last measurable budesonide concentration and from dosing to infinity were ∼26% higher and ∼27% higher under fed than fasting conditions (3529 vs 2811 pg h/mL and 3892 vs 3075 pg h/mL, respectively). The median time to peak plasma budesonide concentration was significantly longer (∼1 h) under fed than fasting conditions (2.516 vs 1.286 h, P < .001). Safety and tolerability were also assessed throughout the study; all adverse events were mild or moderate in severity. Despite slight differences in budesonide PK parameters between fed and fasting conditions, the effect of food on systemic exposure to budesonide (BOS formulation) is not expected to be clinically meaningful.
Amination of n‐hexanol to n‐hexylamine over RuNi bimetallic catalyst
Authors: Gao Boyun , Huang Huijiang , Rehman Mooeez Ur , Ren Bin , Liu Yuruo , Fan Weipeng , Li Pengfei , Zhang Lizhi , Xu Yan , Zhao Yujun 
Published: September 2024

AbstractBACKGROUNDThe synthesis of fatty amines via fatty alcohol amination offers a promising avenue for environmentally friendly production, particularly when compared with the methods employing hydrocyanic acid which often involve significant emissions.RESULTThis study explores the synthesis of n‐hexylamine through one‐step amination of n‐hexanol utilizing a series of Ru‐doped Ni catalysts supported over γ‐Al2O3, achieving 61% n‐hexanol yield, 35% dihylamine yield and 3.5% trihylamine yield at the n‐hexanol conversion of 99%.CONCLUSIONThe characterization results of the catalysts revealed a significant interaction between ruthenium and nickel in the bimetallic catalysts, leading to the enhanced reducibility of Ni species and improved metal dispersion. Moreover, ruthenium species were found to play an important role in the dissociation of NH3 into NHx (x = 1, 2), thereby significantly improving the dehydrogenation process of n‐hexanol at Ni sites. The synergistic effect between the two kinds of metal sites emerges as crucial factor for the boosted alcohols amination process. © 2024 Society of Chemical Industry (SCI).
Multilayer adsorption of reactive orange 16 dye onto Fe2O3/ZnO hybrid nanoadsorbent: mechanistic insights from kinetics, isotherms and dynamic light scattering studies
Authors: Hussain Nasira , Asif Muhammad , Shafaat Shanza , Khan Muhammad Saqib , Riaz Nadia , Iqbal Mazhar , Javed Abdullah , Butt Tayyab Ashfaq , Shaikh Ahson Jabbar , Bilal Muhammad 
Published: September 2024

AbstractBACKGROUNDFe2O3/ZnO hybrid nanoadsorbent was synthesized by the coprecipitation method and characterized. The hydrodynamic size and stability of the nanoadsorbent were investigated in batch adsorption of toxic Reactive orange (RO)16 dye at increasing concentrations. The mechanism of monolayer and multilayer dye adsorption was elucidated for the first time together through dynamic light scattering (DLS), isotherm, kinetic and thermodynamic studies. A tomato seed germination assay was performed to confirm the material and treated water toxicity.RESULTSThe ferromagnetic nanoadsorbent exhibited 85% RO16 dye removal. Nonlinear fitting of isotherm and kinetic models suggest the chemisorption (monolayer) and physisorption (multilayer) of dye over the heterogeneous surface of the nanoadsorbent, respectively, at lower and higher concentration of dye. In line with these mechanistic insights, DLS studies demonstrate that monolayer adsorption increased hydrodynamic size up to 100 mg L−1 by face‐off binding of dye molecules, whereas multilayer adsorption was in the 100–500 mg L−1 concentration range; besides increase in adsorption capacity, did not magnify hydrodynamic size owing to face‐on binding with multiple dye molecule stacking. Zeta potential data confirmed greater stability of the nanoadsorbent at solution pH with large hydrodynamic size. Thermodynamic studies suggested that endothermic and spontaneous adsorption process primarily controlled physical adsorption at higher dye concentrations. A toxicity assay proved that the nanoadsorbent and treated water are environmentally safe.CONCLUSIONDLS, isotherm and kinetic studies elucidated the complex adsorption mechanism over a heterogenous surface of a hybrid nanoadsorbent. It was found that monolayer chemisorptive face‐off binding of RO16 molecules increased hydrodynamic size whereas multilayer physisorptive face‐on binding did not affect hydrodynamic size; rather, it remained stable with increasing RO16 concentration. © 2024 Society of Chemical Industry (SCI).
Certainty in uncertainty: Determining the rate and reasons for reclassification of variants of uncertain significance in haematological malignancies
Authors: Enjeti Anoop K. , Walker Natasha , Fahey Oliver , Johnston Elizabeth , Legge‐Wilkinson Hannah , Ramsurrun Nateika , Sillar Jonathan , Lincz Lisa F. , Ziolkowski Andrew , Mossman David 
Published: September 2024

AbstractIntroductionVariants of uncertain significance (VUS) are commonly reported in cancer with the widespread adoption of diagnostic massive parallel sequencing. The rate of reclassification of VUS in patients with haematological malignancy is not known and we evaluated this retrospectively. We also investigated whether re‐evaluating VUS in 12–24 months or greater than 24 months post‐initial classification was significant.MethodA retrospective audit of patients with haematological malignancies referred to the Molecular Medicine Department at the John Hunter Hospital in Newcastle, Australia between September 2018 and December 2021. Data was analysed for VUS, which was then re‐analysed in standard software using current somatic variant guidelines. Proportions of VUS at baseline were compared to post‐re‐analysis.ResultsThe most common diagnoses in the patient cohort (n = 944) were acute myelogenous leukaemia (41%), myelodysplastic syndrome (31%), and chronic myelomonocytic leukaemia (7%). A total of 210 VUS were re‐analysed. The most common VUS were in the TET2 (20%), RUNX1 (10%) and DNMT3A (9%) genes. A total of 103 were re‐analysed at 24–39 months post‐initial classification and 107 variants were re‐analysed between 12 and 24 months post‐initial classification. Of these, 33 (16%) of VUS were re‐classified at 24–39 months and 12 (11%) were re‐classified at 12–24 months post‐initial classification. The most common variants that were re‐classified in both groups were CSF3R (32%), TET2 (29%), ASXL1 (11%) and ZRSR2 (11%).ConclusionThis study on reclassification of VUS in blood cancers demonstrated that one in seven VUS were re‐classified 12 months post initial classification. This can inform practice guidelines and potentially impact the prognosis, diagnosis and treatment of haematological malignancies.