bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phenolic Derivatives with Anti‐Acetylcholinesterase Inhibitory Activities fromGaleola nudifoliain Vietnam
Authors: Do Kiep Minh , Nakashima Yu , Kodama Takeshi , Lee Yuan‐E , Nguyen Hien Minh , Ikumi Naotaka , Morita Hiroyuki 
Published: October 2023

AbstractA new phenolic derivative, galeomalate A (1), together with five known structurally related compounds (2‐6), was isolated from the ethyl acetate extract ofGaleola nudifoliacollected in Vietnam. The structures were elucidated by various spectroscopic methods, including 1D and 2D NMR, HR‐ESI‐TOF‐MS, and CD data, and chemical conversion of the sugar moiety. All isolated compounds possessed acetylcholinesterase (AChE) inhibitory activities in a dose‐dependent manner. Among them, compounds2and3exhibited the first and second highest inhibitory activity on AChE with IC50values of 122.13 and 125.49 μM, respectively. Compounds1and4–6inhibited the AChE activity by mixed modes of action comprising competitive and non‐competitive modes, whereas2and3exerted their inhibitory activities in a competitive manner. Molecular docking analyses suggested that the phenyl‐β‐D‐glucopyranoside unit of2and3bound to the active site of AChE for the competitive inhibitory activities, while the mixed inhibitory activity of4was due to the two binding patterns in the active‐site and the active‐site entrance of AChE. Furthermore, the docking studies indicated that1,5, and6would inhibit AChE in a mixed inhibitory manner by adopting three distinct binding patterns of the additional phenyl‐β‐D‐glucopyranoside unit at the active‐site entrance.
Recent Advances in Monofluorinated Carbenes, Carbenoids, Ylides, and Related Species
Authors: Sperga Arturs , Veliks Janis 
Published: October 2023

AbstractThe synthesis of monofluorinated compounds is of great interest because of the vast applications of organofluorine compounds. Recently, the introduction of monofluorocarbene synthons has emerged as an important strategy for the synthesis of fluorine‐containing products. In contrast to direct fluorination, in which C−F bonds are formed, the use of monofluorinated carbenes and related reactive species involves C−C or C−X bond formation while delivering valuable fluorine atoms into the target structure. Owing to increased knowledge on carbon‐carbon and carbon‐heteroatom bond formations, monofluorinated carbenes have enormous potential for the synthesis of organofluorine compounds, which, in our opinion, has not yet been fully exploited. This review summarizes the recent advances in the synthetic applications of monofluorinated carbenes, carbenoids, ylides, and related species.
Altering the Localization of an Unpaired Spin in a Formal Ni(V) Species
Authors: Awasthi Ayushi , Mallojjala Sharath Chandra , Kumar Rakesh , Eerlapally Raju , Hirschi Jennifer S. , Draksharapu Apparao 
Published: October 2023

AbstractThe participation of both ligand and the metal center in the redox events has been recognized as one of the ways to attain the formal high valent complexes for the late 3d metals, such as Ni and Cu. Such an approach has been employed successfully to stabilize a Ni(III) bisphenoxyl diradical species in which there exist an equilibrium between the ligand and the Ni localized resultant spin. The present work, however, broadens the scope of the previously reported three oxidized equivalent species by conveying the approaches that tend to affect the reported equilibrium in CH3CN at 233 K. Various spectroscopic characterization revealed that employing exogenous N‐donor ligands like 1‐methyl imidazole and pyridine favors the formation of the Ni centered localized spin though axial binding. In contrast, due to its steric hinderance, quinoline favors an exclusive ligand localized radical species. DFT studies shed light on the novel intermediates′ complex electronic structure. Further, the three oxidized equivalent species with the Ni centered spin was examined for its hydrogen atom abstraction ability stressing their key role in alike reactions.
Revealing the Origin of Fast Delayed Fluorescence in a Donor Functionalized Bisterpyridine
Authors: Goll Felix D. , Schelhorn Andreas , Litvinas Džiugas , Tenopala‐Carmona Francisco , Kazak Lev , Jelezko Fedor , Lambert Christoph , Gather Malte C. , Kuehne Alexander J. C. , Ziener Ulrich 
Published: October 2023

AbstractA new carbazole‐substituted bisterpyridine with pronounced delayed fluorescence is presented. While the molecular donor‐acceptor‐donor design suggests the origin of this to be thermally activated delayed fluorescence (TADF), results from various photophysical characterizations, OLED characteristics, temperature‐dependent NMR spectroscopy, and DFT calculations all point against the involvement of triplet states. The molecule exhibits blue emission at about 440 nm with two or more fast decay channels in the lower nanosecond range in both solution and thin films. The delayed emission is proposed to be caused by rotational vibrational modes. We suggest that these results are generally applicable, especially for more complex molecules, and should be considered as alternative or competitive emissive relaxation pathways in the field of organic light emitting materials.
The imperative of collaboration: Lived experience perspectives on team approaches in outpatient eating disorder treatment
Authors: Bray Megan , Heruc Gabriella , Evans Lacey , Wright Olivia R. L. 
Published: October 2023

AbstractBackgroundAcross healthcare broadly, team treatment approaches range from siloed multidisciplinary treatment to synergistic Interprofessional Collaborative Practice (IPCP), with IPCP increasingly favored. In eating disorders, clinical practice guidelines endorse team outpatient treatment, and these approaches are widely used in clinical practice. However, there is limited evidence to describe attitudes toward and experiences of team approaches, including IPCP, among individuals with a lived experience.MethodTwenty‐seven participants (aged 20–51 years) with a formal eating disorder diagnosis were recruited. Each had received outpatient eating disorder treatment from a team or teams comprising a mental health professional, dietitian, and general practitioner (GP) in the past 2 years. Qualitative data were collected via semi‐structured interviews and analyzed using Braun and Clarke's reflexive thematic analysis.ResultsFour themes were derived from the qualitative analysis. Themes included: (1) working together is better; (2) the linchpin of teamwork is communication; (3) teams should foster autonomy with limit‐setting; and (4) systemic failures negatively affect team treatment. Participants favored highly collaborative treatment from a team including a mental health professional, dietitian, and GP at a minimum, where the team engaged in high‐quality communication and fostered autonomy with limit‐setting. Systemic failures negatively affecting team treatment were reported across the care continuum.DiscussionFindings endorse the application of IPCP to outpatient eating disorder treatment as a strategy to improve treatment satisfaction, engagement, and outcomes. Given the paucity of evidence exploring IPCP in this field, however, the development and evaluation of interprofessional education and treatment models is a foundational necessity.Public SignificanceTeam eating disorder treatment is widely used in clinical practice, although there is limited evidence to guide interventions. This study explores attitudes toward and experiences of team outpatient eating disorder treatment among individuals with a lived experience. Understanding preferred team treatment characteristics delivers important information to improve treatment satisfaction, engagement, and outcomes for individuals receiving outpatient eating disorder treatment.
Selenium and vitamin B2 cosupplementation alleviates high‐fat‐diet‐induced nonalcoholic fatty liver disease in rats by regulating hepatic lipid metabolism
Authors: Zhang Dalong , Zhou Dianming , Wang Xiaojun , Li Min , Zhang Jing , He Ning , Zhou Xiaoli , Li Zhenshu , Huang Guowei , Li Wen , Qian Zhiyong 
Published: October 2023

AbstractSelenium (Se) and vitamin B2 (VitB2) all play essential roles in participating in hepatic lipid metabolism regulation. In this study, we aimed to identify whether Se combined with VitB2 could meliorate nonalcoholic fatty liver disease (NAFLD) caused by high‐fat (HF) diet in rats. To this end, 50 SD male rats were randomly allotted into five groups equally after receiving a HF diet for 2 weeks. Rats were fed high‐fat diets and gavaged daily with 0.83 or 8.33 µg kg–1 Se combined with 0.70 or 3.50 mg kg–1 VitB2 for 8 weeks. Another 10 rats were given a conventional diet as a control group. The result showed that Se combined with VitB2 decreased NAFLD activity score and liver lipid's levels, relieved hepatic steatosis and lipid deposition and promoted the balance of ApoA1/ApoB ratio. The hepatic 3‐hydroxy‐3‐methyl glutaryl coenzyme A reductase (HMGR) level was declined, and the serum HL level was increased in NAFLD rats through the combined intervention. In addition, Se and VitB2 regulated hepatic metabolism factor's (FAS, ACC, ACAT1, PPARγ, and SREBP‐1c) expression level. Taken together, the combined intervention of Se and VitB2 can alleviate HF‐diet‐induced NAFLD in rats. The molecular mechanism may be related to affecting the activities of lipid metabolic enzymes such as FAS, ACC, HMGR, ACAT1, and HL by inhibiting the expression of PPARγ and SREBP‐1c.Practical Applications: The present study showed that a combination of Se and VitB2 can effectively reduce hepatic lipid accumulations, exert hepatoprotective effects and regulate hepatic lipid metabolism in NAFLD rats caused by a high‐fat diet. The possible molecular mechanism may be related to affecting the activities of lipid metabolic enzymes such as FAS, ACC, HMGR, ACAT1, and HL, and inhibiting the expression of PPARγ and SREBP‐1c. Se and VitB2 cosupplementation may be a potential therapeutic strategy in overcoming hepatic lipid disorders' adverse effects beyond pharmacological interventions to ameliorate NAFLD.
A comparison of the exposure system of glycidol‐related chemicals on the formation of glycidol‐hemoglobin adducts
Authors: Shimamura Yuko , Wada Yuri , Tashiro Moeka , Honda Hiroshi , Masuda Shuichi 
Published: October 2023

AbstractGlycidol fatty acid esters that are present in foods are degraded in vivo to the animal carcinogen glycidol, which binds to the N‐terminal valine of hemoglobin (Hb) to form N‐(2,3‐dihydroxypropyl)valine (diHOPrVal) adducts. The existence of other chemicals that are converted to glycidol is unknown. To determine the effect of different exposure conditions on the formation of diHOPrVal adducts, several glycidol‐related chemicals (3‐monochloropropane‐1,2‐diol; 3‐MCPD, epichlorohydrin, glyceraldehyde, acrylic acid, and 1,2‐propanediol) were evaluated using in vitro and in vivo (single/repeated dose) methods. In vitro, the reaction of 3‐MCPD or epichlorohydrin with human Hb produced 17% and 0.7% of diHOPrVal, as compared to equimolar glycidol, respectively. Following a single administration of glycidol‐related compounds to ICR mice, diHOPrVal formation was observed only in the epichlorohydrin‐treated group after day 5 of exposure. After 14 days of repeated dosing, the amounts of diHOPrVal produced by epichlorohydrin and 3‐MCPD in vivo were <1% of diHOPrVal produced by an equal molar concentration of glycidol. Furthermore, glyceraldehyde group produced 0.2% of diHOPrVal at the same molar concentration of glycidol equivalents, in which diHOPrVal formation could not be confirmed by the in vitro assay. The results indicate the usefulness of diHOPrVal as an exposure marker for glycidol; however, the contribution of its formation in vivo by exposure to various chemicals will be necessary to validate and interpret the results.
From heart to gut: Exploring the gut microbiome in congenital heart disease
Authors: Liu Yuze , Huang Yuan , He Qiyu , Dou Zheng , Zeng Min , Wang Xu , Li Shoujun 
Published: October 2023

AbstractCongenital heart disease (CHD) is a prevalent birth defect and a significant contributor to childhood mortality. The major characteristics of CHD include cardiovascular malformations and hemodynamical disorders. However, the impact of CHD extends beyond the circulatory system. Evidence has identified dysbiosis of the gut microbiome in patients with CHD. Chronic hypoxia and inflammation associated with CHD affect the gut microbiome, leading to alterations in its number, abundance, and composition. The gut microbiome, aside from providing essential nutrients, engages in direct interactions with the host immune system and indirect interactions via metabolites. The abnormal gut microbiome or its products can translocate into the bloodstream through an impaired gut barrier, leading to an inflammatory state. Metabolites of the gut microbiome, such as short‐chain fatty acids and trimethylamine N‐oxide, also play important roles in the development, treatment, and prognosis of CHD. This review discusses the role of the gut microbiome in immunity, gut barrier, neurodevelopment, and perioperative period in CHD. By fostering a better understanding of the cross‐talk between CHD and the gut microbiome, this review aims to contribute to improve clinical management and outcomes for CHD patients.
Invading nonnative frogs use different microhabitats and change physiology along an elevation gradient
Authors: Marchetti Jack R. , French Susannah S. , Virgin Emily E. , Lewis Erin L. , Ki Kwanho C. , Sermersheim Layne O. , Brusch George A. , Beard Karen H. 
Published: October 2023

AbstractThe coqui frog (Eleutherodactylus coqui) was introduced to the island of Hawai'i in the 1980s, and has spread across much of the island. There is concern they will invade higher elevation areas where negative impacts on native species are expected. It is not known if coqui change behavior and baseline physiology in ways that allow them to invade higher elevations. We investigated where coqui are found across the island and whether that includes recent invasion into higher elevations. We also investigated whether elevation is related to coqui's microhabitat use, including substrate use and height off the forest floor, and physiological metrics, including plasma osmolality, oxidative status, glucose, free glycerol, and triglycerides, that might be associated with invading higher elevations. We found coqui have increased the area they occupy along roads from 31% to 50% and have moved into more high‐elevation locations (16% vs. 1%) compared to where they were found 14 years ago. We also found frogs at high elevation on different substrates and closer to the forest floor than frogs at lower elevations—perhaps in response to air temperatures which tended to be warmer close to the forest floor. We observed that blood glucose and triglycerides increase in frogs with elevation. An increase in glucose is likely an acclimation response to cold temperatures while triglycerides may also help frogs cope with the energetic demands of suboptimal temperatures. Finally, we found that female coqui have higher plasma osmolality, reactive oxygen metabolites (dROMs), free glycerol, and triglycerides than males. Our study suggests coqui behavior and physiology in Hawai'i may be influenced by elevation in ways that allow them to cope with lower temperatures and invade higher elevations.
Development of Super‐Paramagnetic Iron Oxide Nanoparticle‐Coated Melt Electrowritten Scaffolds for Biomedical Applications
Authors: Unalan Irem , Occhipinti Ilenia , Miola Marta , Vernè Enrica , Boccaccini Aldo R. 
Published: October 2023

AbstractPolycaprolactone (PCL) is usually the material chosen for melt electrowriting (MEW) due to its biocompatibility, mechanical strength, and melt processability. This work first investigates the effect of different processing parameters to obtain optimum PCL‐MEW scaffolds. Secondly, to increase PCL`s hydrophilicity and cell affinity, and to enable coating with superparamagnetic iron oxide nanoparticles (SPIONs) and silica‐coated‐SPIONs (Si‐SPIONs), the scaffolds are modified with alkaline surface treatment. Finally, SPIONs and Si‐SPIONs are successfully coated on MEW scaffolds. Results show that reproducible scaffolds are fabricated. Additionally, the alkaline treatment does not change the three‐dimensional morphology of scaffolds while reducing fiber diameter. Furthermore, SEM images and ATR‐FTIR results confirmed that SPIONs and Si‐SPIONs‐were coated on scaffolds. A cytocompatibility assay showed a non‐toxic effect on MG‐63 osteoblast‐like cells in all scaffolds. Additionally, higher MC3T3‐E1 pre‐osteoblastic cell adhesion efficiency and proliferation are achieved for the alkaline‐treated scaffolds and SPIONs/Si‐SPIONs‐coated scaffolds. All samples demonstrated the ability to generate heat, useful for hyperthermia‐treatment, when subjected to an alternating magnetic field. Overall, the findings suggest that the strategy of coating PCL‐MEW scaffolds with SPIONs/Si‐SPIONs has the potential to improve scaffold performance for biomedical applications, especially for producing magnetically responsive MEW scaffolds.
Optimizing early weaning protocols for Burbot larvae
Authors: Matuha Moureen , Oliver Luke P. , Bruce Timothy J. , Cain Kenneth D. 
Published: October 2023

Abstract

Objective
This study aimed to minimize live prey usage and duration in Burbot Lota lota larval culture. Specifically, two trials were conducted to assess the viability of EZ Artemia (liquid Artemia replacement) and Gemma microparticulate diets as alternatives to traditional live feeds, investigating their impact on larval Burbot's growth and survival.

Methods
In trial 1, five treatments were evaluated: the control group received rotifers (Brachionus plicatilis) and Artemia spp. from 11 to 50 days posthatch (dph). Treatment (Trt) 1 had live feeds from 11 to 78 dph; Trt 2 received only microparticulate diets; Trt 3 was fed rotifers at 11–22 dph and Gemma microparticulate diets at 21–50 dph; and Trt 4 received rotifers at 11–20 dph, then co-feeding of Artemia spp. and EZ Artemia at 21–32 dph, followed by EZ Artemia at 33–40 dph. In trial 2, five feeding treatments were assessed: the control group was the same as in trial 1; Trt 1 received rotifers at 11–25 dph and EZ Artemia at 20–50 dph; Trt 2 had Artemia spp. from 11 to 30 dph and EZ Artemia at 25–50 dph; Trt 3 received only EZ Artemia; Trt 4 had Artemia spp. at 11–21 dph, followed by co-feeding of Artemia spp. and Gemma Wean at 22–32 dph and exclusive feeding of Gemma Wean from 33 to 78 dph.

Result
In trial 1, it was found that the utilization of EZ Artemia reduced the live feeding period by 17 days; however, both survival and growth were notably lower compared to the control. In trial 2, survival rates varied from 0% to 30.94%, with Trt 1, Trt 2, and Trt 4 demonstrating a reduction in the live feeding period by 17–24 days. Survival rates for the Trt 1 and Trt 2 groups did not exhibit a significant difference from the control group.

Conclusion
These studies collectively show that eliminating rotifers or Artemia spp. during Burbot larval culture can be accomplished with minimal adverse effects on both survival and growth.
Effect of thermal fluctuations on the electronic excitation energies of linear polyenes: A combined molecular dynamics and TD‐DFT study
Authors: Helal Wissam 
Published: October 2023

AbstractIn the present study, thermally averaged electronic excitation energies (the so‐called dynamic approach) are quantitatively assessed for a model molecular system composed of a series of increasingly longer chains of simple linear polyenes. The molecular dynamics trajectories are calculated using the semi‐empirical “Geometry, Frequency, Noncovalent, eXtended Tight Binding” (GFN2‐xTB) method, while TD‐DFT vertical excitation energies of selected snapshots are obtained with the spin‐component‐scaled double hybrid density functional SCS‐wPBEPP86. Boltzmann weighted average excitation energies were then calculated in order to take into account the contribution of thermal motions. Excitation energies via the dynamic approach are compared with that of the static approach in which thermal fluctuations are not considered. The differences between the dynamic and the static approaches were found to be around the range to eV for polyenes up to 44 carbon atoms. This range of errors is relatively small in comparison with typical errors produced by using different density functionals and/or basis sets. Therefore, the electronic excited states of small to medium lengths of linear polyenes (less than 50 carbon atoms) can be safely modeled via the static approach. However, extrapolation of the results to longer polyenes indicates that the difference between both approaches is estimated to be 0.05 eV for polyenes containing 100 carbon atoms, which suggests that considering thermal motions in the calculations of excitation energies is recommended for such long conjugated molecular systems.
Experimental investigation of heating augmentation by particle kinetic energy conversion in dust-laden supersonic flows
Authors: Allofs Dirk , Neeb Dominik , Gülhan Ali 
Published: October 2023

AbstractThe presence of particles in supersonic flows can cause significant increases in stagnation point heat fluxes (Dunbar et al. in AIAA J 13:908–912, 1975). This effect is commonly named ‘particle-induced heat flux augmentation’ or just ‘heating augmentation.’ Heating augmentation can be described as the sum of the conversion of kinetic energy of the particles into thermal energy, characterized by the energy conversion efficiency, also called accommodation coefficient, and the increase of convective heat flux (Polezhaev et al. in High Temp 30:1147–1153, 1992; Vasilevskii and Osiptsov in Experimental and numerical study of heat transfer on a blunt body in dusty hypersonic flow 33rd thermophysics conference, American Institute of Aeronautics and Astronautics, 1999). Although the accommodation coefficient is fundamental for heating augmentation characterization, there is only a small number of experimental datasets for it. This work focusses on the experimental determination of the accommodation coefficient in flow regimes at Mach number 2.1, Reynolds number, based on the probe nose diameter, from approx. 6e5 to 1.8e6, and nominal particle sizes of approx. 20 µm. The decrease of particle velocity and kinetic energy flux in the shock layer is measured with highly resolved shadowgraphy for individual particles. The particle kinetic energy flux is decreased by 29% on average by particle deceleration in the shock layer. Negligible kinetic energy fluxes of rebounded particles were measured. The accommodation coefficient is approx. 0.36 for Al2O3 and SiO2 particles, while it is approx. 0.09 for MgO particles. Hence, it is significantly smaller than the widely used value of 0.7, based on the study of (Fleener and Watson in Convective heating in dust-laden hypersonic flows 8th thermophysics conference, 1973), but in good agreement with values given in (Hove and Shih in Reentry vehicle stagnation region heat transfer in particle environments 15th aerospace sciences meeting, 1977) and (Molleson and Stasenko in High Temp 55:87–94, 2017. https://doi.org/10.1134/S0018151X1701014X ). No difference between erosive and elastic particle reflection mode was detected on the conversion efficiency. The data from a simplification of the modeling approach of the conversion efficiency for elastic particle reflection by Molleson and Stasenko (2017) are in poor agreement with experimental data.