bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Mannose Oligosaccharide Hemimimetics that Recapitulate the Conformation and Binding Mode to Concanavalin A, DC‐SIGN and Langerin
Authors: Herrera‐González Irene , González‐Cuesta Manuel , Thépaut Michel , Laigre Eugénie , Goyard David , Rojo Javier , García Fernández José M. , Fieschi Franck , Renaudet Olivier , Nieto Pedro M. , Ortiz Mellet Carmen 
Published: October 2023

AbstractThe “carbohydrate chemical mimicry” exhibited by sp2‐iminosugars has been utilized to develop practical syntheses for analogs of the branched high‐mannose‐type oligosaccharides (HMOs) Man3 and Man5. In these compounds, the terminal nonreducing Man residues have been substituted with 5,6‐oxomethylidenemannonojirimycin (OMJ) motifs. The resulting oligomannoside hemimimetic accurately reproduce the structure, configuration, and conformational behavior of the original mannooligosaccharides, as confirmed by NMR and computational techniques. Binding studies with mannose binding lectins, including concanavalin A, DC‐SIGN, and langerin, by enzyme‐linked lectin assay and surface plasmon resonance revealed significant variations in their ability to accommodate the OMJ unit in the mannose binding site. Intriguingly, OMJMan segments demonstrated “in line” heteromultivalent effects during binding to the three lectins. Similar to the mannobiose (Man2) branches in HMOs, the binding modes involving the external or internal monosaccharide unit at the carbohydrate binding‐domain exist in equilibrium, facilitating sliding and recapture processes. This equilibrium, which influences the multivalent binding of HMOs, can be finely modulated upon incorporation of the OMJ sp2‐iminosugar caps. As a proof of concept, the affinity and selectivity towards DC‐SIGN and langerin were adjustable by presenting the OMJMan epitope in platforms with diverse architectures and valencies.
Numerical study on the influence of centroid‐to‐buoyancy center ratio on the motion stability of supercavitating vehicle
Authors: Wei Ping , Wang Shou Fa , Wang Yi Ming 
Published: October 2023

SummaryIn order to study and solve the influence of the change of the position of the centroid of the supercavitating vehicle on the motion stability, the influence law of the position of the centroid of the supercavitating vehicle on the motion stability is found, and the quantitative criterion that can guide the design of the supercavitating vehicle is summarized. On the basis of theoretical analysis, the dynamic mesh technology combined with the volume of fluid multiphase flow model and the rigid body six degrees of freedom motion calculation model is used to carry out the supercavitating vehicle motion and supercavitating flow field coupling numerical simulation research for supercavitating vehicles with different cavitator shapes. The results show that the position relationship between the centroid position and the buoyancy position has a great influence on the motion stability of the vehicle. When the center of buoyancy is before the center of mass, the vehicle is unstable; when the center of buoyancy is behind the center of mass, the vehicle sails stably, and when the position of buoyancy action coincides with the center of mass, the amplitude of the tail beat of the vehicle is the smallest, and the navigation is the most stable, which is the best position of the centroid. In this article, the concept of centroid‐to‐buoyancy center ratio is proposed. The so‐called centroid‐to‐buoyancy center ratio refers to the ratio of the length from the centroid to the top of the head of the supercavitating vehicle to the length from the center of buoyancy to the top of the head of the vehicle. When the centroid‐to‐buoyancy center ratio fluctuates in the range of [0.8–1], it is an ideal condition for the stable navigation of the vehicle. When the centroid‐to‐buoyancy center ratio is in the range of (0, 0.8), the tail beat frequency is high, which accelerates the kinetic energy consumption and the rapid instability of the vehicle. Therefore, under the same constraint conditions, it is not that the closer the center of mass is, the better the stability of the vehicle motion is. The optimal centroid position is not a certain “point,” but a “periodic fluctuation interval” that changes with the buoyancy center.
Estimation of the Thermophysical Properties of Pentaalkylguanidinium‐Based Magnetic Ionic Liquids with Unusual Thermal Expansion Coefficient
Authors: Dai Xuezhi , Qiang Xiaolian 
Published: October 2023

AbstractThe thermal expansion coefficient (αexp.), the molecular volume (Vm), the entropy of surface formation (Sa), and the Gibbs energy of surface formation (Ea) of four pentaalkylguanidinium‐based MILs [CnTMG][FeCl3Br] (n=2, 4, 6, 8) were calculated based on the density and surface tension data determined from 278.15 to 323.15 K. In terms of classical semiempirical methods, the standard molar entropy (S0), the lattice energy (UPOT), the molar enthalpy of evaporation (
,
(298 K)), and the thermal expansion coefficient (αest.) of the MILs were further estimated. The estimation results indicate that the classical semiempirical methods are suitable for estimating the thermophysical properties of the MILs, except the unusual αexp., which were extremely larger than those of representative non‐magnetic ionic liquids (ILs). We further optimized the estimation methods and discussed the potential reasons for the unusual thermal expansion coefficient of the MILs.
Biochar‐MgO from Soursop Seeds in the Production of Biofuel Additive Intermediates
Authors: Palermo Valeria , Camargo López Jhoan M. , Brijaldo María H. , Acevedo Sergio , Mancipe Sonia , Castillo Juan‐Carlos , Rojas Hugo A. , Passos Fabio B. , Romanelli Gustavo P. , Martínez José J. 
Published: October 2023

AbstractThe conversion of residual biomass from fruit seeds into biochar can be achieved using MgCl2 as an activating agent and calcining at 700 °C. The resulting MgO‐biochars were employed in the aldol condensation reaction between furfural and acetone. This reaction is essential as the first step in the obtention of biofuels derived from biomass. The biochars were characterized through various physicochemical techniques, revealing that the presence of MgO nanoparticles deposited on the carbon surface modifies the structural and acidic‐basic properties of the carbonaceous materials with a graphitic structure. The biochar with a surface content of MgO of 0.34 % w/w enables the achievement of 100 % of selectivity towards 4‐(2‐furanyl)‐3‐buten‐2‐one (I) with quantitative conversions under optimized conditions. This property highlights the potential of using this type of biochar, commonly used for CO2 capture, as a versatile acidic‐basic catalyst, thereby introducing a novel approach to sustainable chemistry.
Does Larger Cavity‐Size Really Help Bigger Anions to Bind? A Scrutiny on Core‐Expanded Calix[4]pyrroles and Their Properties
Authors: Giri Monalisa , Dash Yashaswini , Guchhait Tapas 
Published: October 2023

AbstractCalix[4]pyrroles are an important class of oligopyrrolic macrocycles and have found applications in many diverse fields including anion recognition. To modulate the properties of the calix[4]pyrrole, several structural modifications are realized. The core‐expansion has attracted extra attention as it provides larger cavity‐size compared to parent calix[4]pyrrole(s). This review highlights the synthetic development of various core‐expanded calix[4]pyrroles and their applications in anion‐binding properties. Emphasis is given to the changes in the binding properties observed with expanded versions of calix[4]pyrrole(s) in both solution and the solid states. The expanded versions of calix[4]pyrrole do not always show higher binding affinities for larger anions as anticipated. Rather, they display reduced affinities with the anions. The truncated form or asymmetric nature of the expanded versions of calix[4]pyrrole does not probably allow to access all the available binding sites for the anions and hence reduced binding affinities are observed. The receptors which contain a greater number of binding sites and are somehow rigid or preorganized apparently show enhanced binding affinities for anions. The relative binding constants for halide series indicate that the enlarged molecules are more beneficial for largest iodide among others. However, most of the receptors show selectivity towards smallest fluoride over other anions studied.
Skin care for scars: Where we have been and what's new
Authors: Sedaghat Emily S. , Gold Michael H. 
Published: October 2023

AbstractBackgroundThe process of scar formation and wound healing is an important topic as different skin types can heal diversely. Scars of all ranges, from fine line scars that are barely a bother to hypertrophic and keloid scars accompanied by bothersome symptoms, have been trouble to treat with many diverse products and hypotheses historically. The diverse appearance of scars is astounding with colors, shapes, sizes, and symptoms, including pain and pruritis, affecting patients differently.MethodsThis paper will dive into the diverse treatments of scar therapy and different published studies done to prove efficacy, along with different scar subtypes.ResultsTreatments mentioned are topical and consist of silicone‐based products, as well as non‐silicone‐based products, like onion extract, green tea, Aloe vera, hydrocolloid dressings, vitamin A derivatives, vitamin E, vitamin D, moist exposed burn ointment, imiquimod, and mitomycin.ConclusionIn sum, wound healing is a difficult process and patient outcomes vary depending on skin and scar types, thus scar therapies should continue to be studied before concluding the best skin care for scars.
Assessing trends in population size of three unmarked species: A comparison of a multi‐species N‐mixture model and random encounter models
Authors: Bollen Martijn , Palencia Pablo , Vicente Joaquín , Acevedo Pelayo , Del Río Lucía , Neyens Thomas , Beenaerts Natalie , Casaer Jim 
Published: October 2023

AbstractEstimation of changes in abundances and densities is essential for the research, management, and conservation of animal populations. Recently, technological advances have facilitated the surveillance of animal populations through the adoption of passive sensors, such as camera traps (CT). Several methods, including the random encounter model (REM), have been developed for estimating densities of unmarked populations but require additional information. Hierarchical abundance models, such as the N‐mixture model (NMM), can estimate abundances without performing additional fieldwork but do not explicitly estimate the area effectively sampled. This obscures the interpretation of its densities and requires its users to focus on relative measures of abundance instead. Hence, the main objective of our study is to evaluate if REM and NMM yield consistent results qualitatively. Therefore, we compare relative trends: (i) between species, (ii) between years and (iii) across years obtained from annual density/abundance estimates of three species (fox, wild boar and red deer) in central Spain monitored by a camera trapping network for five consecutive winter periods. We reveal that NMM and REM provided density estimates in the same order of magnitude for wild boar, but not for foxes and red deer. Assuming a Poisson detection process in the NMM was important to control for inflation of abundance estimates for frequently detected species. Both methods consistently ranked density/abundance across species (between species trend), but did not always agree on relative ranks of yearly estimates within a single population (between years trend), nor on its linear population trends across years (across years trend). Our results suggest that relative trends are generally consistent when the range of variability is large, but can become inconsistent when the range of variability is smaller.
Temporal patterns of fine‐root dynamics have little influence on seasonal soil CO2 efflux in a mixed, mesic forest
Authors: Primka Edward J. , Adams Thomas S. , Buck Alexandra , Forsythe Brandon , Harper Jeremy , Kopp Marissa , Kaye Jason , Eissenstat David M. 
Published: October 2023

AbstractAmong the contributors to soil CO2 efflux, there remains uncertainty about the contribution of root activity to the overall soil efflux. Soil water and temperature frequently have been used to predict a large portion of the variation in soil CO2 efflux. We hypothesized that fine‐root dynamics explain most of the remaining variability in soil CO2 efflux that cannot be explained by soil temperature and water content. We anticipated that seasonal increases in root production, mortality via decomposition, and standing crop would result in corresponding increases in soil CO2 efflux. We tested our hypotheses by collecting and analyzing two years of minirhizotron and soil chamber CO2 flux data from plots distributed throughout the Shale Hills Catchment of the Susquehanna‐Shale Hills Critical Zone Observatory in Central Pennsylvania, USA. Here we showed that: (1) seasonal fluctuations in fine‐root dynamics yielded only a very small increase in the predictability of soil CO2 efflux; (2) fine‐root mortality effects on soil CO2 efflux were strongly tied to soil temperature; (3) fluctuations in fine‐root presence or standing mass independent of temperature and moisture had little effect on soil CO2 efflux; and (4) new fine‐root length and root length mortality had limited impacts on soil CO2 efflux rates. We conclude that, at least in temperate forests on rocky soils, characterizing fine‐root dynamics may provide only limited improvement in the estimation of soil CO2 efflux.
Intravital microscopy visualizes innate immune crosstalk and function in tissue microenvironment
Authors: Wang Jin , Dong Dong , Zhao Wenying , Wang Jing 
Published: October 2023

AbstractSignificant advances have been made in the field of intravital microscopy (IVM) on myeloid cells due to the growing number of validated fluorescent probes and reporter mice. IVM provides a visualization platform to directly observe cell behavior and deepen our understanding of cellular dynamics, heterogeneity, plasticity, and cell–cell communication in native tissue environments. This review outlines the current studies on the dynamic interaction and function of innate immune cells with a focus on those that are studied with IVM and covers the advances in data analysis with emerging artificial intelligence‐based algorithms. Finally, the prospects of IVM on innate immune cells are discussed.
Preparation of Mono and Bis‐Hydrazino‐Substituted N‐Heterocyclic Carbene Boranes
Authors: Bellec Romane , Godelier Romain , Joucla Lionel , Renault Anne , Lacôte Emmanuel 
Published: October 2023

AbstractWe report the formation of NHC complexes of mono‐ and bis‐hydrazino boranes with N−N−B and N−N−B−N−N chains via the reaction of NHC‐boranes with electrophilic azo reagents. The influence of steric hindrance on the carbene and on the azo reagent has been shown to be crucial for the reactivity. The hydroboration of dissymmetric azo reagents is regioselective only when the latter is sufficiently electronically twisted. Bis‐hydrazino borane complexes with two different hydrazine arms could be obtained via sequential addition.
Optimization and antioxidant activity of polysaccharides produced by actinomycetes in complex flora cultivated on a ground corn straw medium
Authors: Wu Jinmi , Li Meitong , Yuan Wenjiao , Wang Xun , Xiao Huanhuan , Fei Xuening , Feng Xin , Xie Yuhong 
Published: October 2023

AbstractIn this study, corn straw polysaccharides (CSPs) were successfully isolated from a corn straw medium by cellulose‐degrading actinomyces in complex flora. Response surface methodology was applied to optimize the extraction conditions. Under the optimum conditions of fermentation time of 12 days and initial corn straw concentration of 50 g/L, the polysaccharide yield reached 2159.23 mg/L. Fourier transform infrared spectroscopy, gas chromatography, and scanning electron microscopy were used to analyze the CSP structure. The results showed that the CSPs consisted of rhamnose, arabinose, xylose, glucose, mannose, and galactose with a molar ratio of 1.0:13.4:16.8:3.0:2.7:8.4, respectively. In addition, the CSP surface was covered with irregular spherical particles. The antioxidant assays suggested that the CSPs have strong scavenging effects of 87.33% and 69.95% on hydroxyl and 1,1‐diphenyl‐2‐picrylhydrazyl radicals at concentrations of 0.80 and 0.40 mg/mL, respectively. Further, CSP demonstrated its potential for development as a natural antioxidant. This work offered an environmentally microbial process for the extraction of polysaccharide from low‐cost corn straw.
(S)‐roscovitine, a CDK inhibitor, decreases cerebral edema and modulates AQP4 and α1‐syntrophin interaction on a pre‐clinical model of acute ischemic stroke
Authors: Moëlo Cloé , Quillévéré Alicia , Le Roy Lucas , Timsit Serge 
Published: October 2023

AbstractCerebral edema is one of the deadliest complications of ischemic stroke for which there is currently no pharmaceutical treatment. Aquaporin‐4 (AQP4), a water‐channel polarized at the astrocyte endfoot, is known to be highly implicated in cerebral edema. We previously showed in randomized studies that (S)‐roscovitine, a cyclin‐dependent kinase inhibitor, reduced cerebral edema 48 h after induction of focal transient ischemia, but its mechanisms of action were unclear. In our recent blind randomized study, we confirmed that (S)‐roscovitine was able to reduce cerebral edema by 65% at 24 h post‐stroke (t test, p = .006). Immunofluorescence analysis of AQP4 distribution in astrocytes revealed that (S)‐roscovitine decreased the non‐perivascular pool of AQP4 by 53% and drastically increased AQP4 clusters in astrocyte perivascular end‐feet (671%, t test p = .005) compared to vehicle. Non‐perivascular and clustered AQP4 compartments were negatively correlated (R = −0.78; p < .0001), suggesting a communicating vessels effect between the two compartments. α1‐syntrophin, AQP4 anchoring protein, was colocalized with AQP4 in astrocyte endfeet, and this colocalization was maintained in ischemic area as observed on confocal microscopy. Moreover, (S)‐roscovitine increased AQP4/α1‐syntrophin interaction (40%, MW p = .0083) as quantified by proximity ligation assay. The quantified interaction was negatively correlated with brain edema in both treated and placebo groups (R = −.57; p = .0074). We showed for the first time, that a kinase inhibitor modulated AQP4/α1‐syntrophin interaction, and was implicated in the reduction of cerebral edema. These findings suggest that (S)‐roscovitine may hold promise as a potential treatment for cerebral edema in ischemic stroke and as modulator of AQP4 function in other neurological diseases.
Artificial intelligence‐powered spatial analysis of tumor‐infiltrating lymphocytes as a predictive biomarker for axitinib in adenoid cystic carcinoma
Authors: Kim Dong Hyun , Lim Yoojoo , Ock Chan‐Young , Park Gahee , Park Seonwook , Song Heon , Ma Minuk , Mostafavi Mohammad , Kang Eun Joo , Ahn Myung‐Ju , Lee Keun‐Wook , Kwon Jung Hye , Yang Yaewon , Choi Yoon Hee , Kim Min Kyoung , Ji Jun Ho , Yun Tak , Kim Sung‐Bae , Keam Bhumsuk 
Published: October 2023

AbstractBackgroundThis study analyzed the predictive value of artificial intelligence (AI)‐powered tumor‐infiltrating lymphocyte (TIL) analysis in recurrent or metastatic (R/M) adenoid cystic carcinoma (ACC) treated with axitinib.MethodsPatients from a multicenter, prospective phase II trial evaluating axitinib efficacy in R/M ACC were included in this study. H&E whole‐side images of archival tumor tissues were analyzed by Lunit SCOPE IO, an AI‐powered spatial TIL analyzer.ResultsTwenty‐seven patients were included in the analysis. The best response was stable disease, and the median progression‐free survival (PFS) was 11.1 months (95% CI, 9.2–13.7 months). Median TIL densities in the cancer and surrounding stroma were 25.8/mm2 (IQR, 8.3–73.0) and 180.4/mm2 (IQR, 69.6–342.8), respectively. Patients with stromal TIL density >342.5/mm2 exhibited longer PFS (p = 0.012).ConclusionsCancer and stromal area TIL infiltration were generally low in R/M ACC. Higher stromal TIL infiltration was associated with a longer PFS with axitinib treatment.
Lowering the pH leads to the disaggregation of NiO and ZnO nanoparticles and modifies the mutagenic response
Authors: Pescke Ismael Krüger , de Oliveira Rozino Lívia , Zenato Karoline , Cardozo Tatiane , Flores Wladimir Hernandez , Vargas Vera Maria Ferrão 
Published: October 2023

AbstractIn a changing environmental scenario, acid rain can have a significant impact on aquatic ecosystems. Acidification is known to produce corrosion in metals, hence increasing their harmful effects on the environment, organisms and human health. The prevalent use of metallic nanoparticles (NPs) in everyday products raises concerns regarding exposure and nanotoxicity even in these acidified conditions. We thus report on the cytotoxic and genotoxic potential of nickel oxide (NiO‐NP) and zinc oxide (ZnO‐NP) NPs when suspended in aqueous media in light of pH variations (7.5 and 5). A modified microsuspension method of the Salmonella/microsome assay was adopted, and strains (TA97a, TA98, TA100, TA102) were exposed to NPs (10–1280 μg/plate) with and without a metabolization fraction. The acidic condition favored disaggregation and caused a decrease in NPs size. Mutagenicity was observed in all samples and different strains, with greater DNA base pair substitution damage (TA100 and TA102), but extrinsic conditions (pH) suggest different action mechanisms of NiO‐NP and ZnO‐NP on genetic content. Mutagenic activity was found to increase upon metabolic activation (TA98, TA100, and TA102) demonstrating the bioactivity of NiO‐NP and ZnO‐NP in relation to metabolites generated by the mammalian p450 system in vitro. Modifications in the Salmonella assay methodology increased cell exposure time. The observed responses recommend this modified assay as one of the methodologies of choice for nanoecotoxicological evaluation. These findings emphasize the significance of incorporating the environmental context when evaluating the toxicity of metal‐based NPs.
Supramolecular assemblies of organogelators featuring benzimidazole and long‐chain pyridine dicarboxyamide
Authors: Chen Chan‐Yu , Lee Mandy M. , Tao Yu‐Tai , Sun Shih‐Sheng 
Published: October 2023

AbstractTwo organogelators, CO‐01 and CO‐03, featuring benzimidazole and long‐chain pyridine carboxyamide groups were prepared and their physical properties were fully explored. CO‐01 and CO‐03 are capable of transforming various organic solvents to organogels. The morphologic investigations of these organogels have shown that the supramolecular assemblies, in the forms of fibers and spheres, are readily generated from the aggregates of CO‐01 and CO‐03. The sol–gel interconversion can be readily achieved by tuning the gelator concentration and temperature. By manipulating the redox state of anthraquinone group in CO‐03, the gel–sol transition for the organogels of CO‐03 can be reversibly tuned by either chemical or electrochemical oxidation/reduction reactions. The presence of polarized imidazole and amide N–H groups allows anion‐induced gel collapse. The accompanying colorimetric and ratiometric fluorescent responses of gels CO‐01 and CO‐03 to F− and CN− render these organogelators being sensitive and selective anion probes.
Dual incidences and t‐designs in vector spaces
Authors: Tabak Kristijan 
Published: October 2023

AbstractLet be an ‐dimensional vector space over and is any set of ‐dimensional subspaces of . We construct two incidence structures and using subspaces from . The points are subspaces from . The blocks of are indexed by all hyperplanes of , while the blocks of are indexed by all subspaces of dimension 1. We show that and are dual in the sense that their incidence matrices are dependent, one can be calculated from the other. Additionally, if is a ‐design we prove new matrix equations for incidence matrices of and .