bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Bis‐Dimethylamine Substitution on DNA Binding Property and Cytotoxic Activity of Polyhydroxyxanthone
Authors: Shen Rui , Chen Yuhong , Wu Jianhua , Zhao Lihua , Yang Aihong , Kou Xiaodi 
Published: March 2022

AbstractA bis‐dimethylamine substituted xanthone (Xan‐2) was obtained by cationic modification of the free C3 and C6 hydroxy groups of 1,3,6‐trihydroxyxanthone (Xan‐1) which was isolated from Polygala hongkongensis Hemsl.. The results of the spectroscopic analysis, melting profiles, electrophoretic migration, PCR assay and molecular docking indicated that the hydrophobic plane of Xan‐1 and Xan‐2 could intercalate into the DNA base pairs meanwhile the basic amine alkyl chain of Xan‐2 could bind with DNA phosphate framework via electrostatic interaction. Thus, Xan‐2 exhibited higher DNA binding affinity than Xan‐1. Further study showed that Xan‐2 could inhibit the proliferation of HeLa, SGC‐7901 and A549 cells effectively by MTT assay and induce apoptosis of HeLa cells as detected by AO/EB staining and flow cytometry assay. Interestingly, Xan‐2 exhibited selective cytotoxicity to cells, which was proved by its relatively low inhibitory effect on Raw 264.7 cell. What these studies mean is that disubstituted amine alkyl chains will play an important role in DNA binding property and cytotoxic activity, providing a direction for the development of novel potential antitumor agents.
Probing Site‐Selective Conjugation Chemistries for the Construction of Homogeneous Synthetic Glycodendriproteins
Authors: Cobo Isidro , Matheu M. Isabel , Castillón Sergio , Davis Benjamin G. , Boutureira Omar 
Published: March 2022

AbstractMethods that site‐selectively attach multivalent carbohydrate moieties to proteins can be used to generate homogeneous glycodendriproteins as synthetic functional mimics of glycoproteins. Here, we study aspects of the scope and limitations of some common bioconjugation techniques that can give access to well‐defined glycodendriproteins. A diverse reactive platform was designed via use of thiol‐Michael‐type additions, thiol‐ene reactions, and Cu(I)‐mediated azide‐alkyne cycloadditions from recombinant proteins containing the non‐canonical amino acids dehydroalanine, homoallylglycine, homopropargylglycine, and azidohomoalanine.
Multiple vocal fold lesions in a single patient
Authors: Fernandez Secundino , Ferran Sol , Garaycochea Octavio 
Published: March 2022

AbstractWe report the case of a 48‐year‐old woman, a teacher, with recurrent severe dysphonia and multiple and different lesions at the same time in her vocal folds. The evolution of the lesions and the possible mechanism by which they have been associated in the same patient are commented.
The alpha and omega of financial risk‐tolerance assessment
Authors: Heo Wookjae , Rabbani Abed , Grable John E. , Roszkowski Michael 
Published: March 2022

AbstractOver the past three decades, numerous scaling and attitudinal measurement techniques have been developed to facilitate the assessment of an individual's financial risk tolerance. Cronbach's alpha has traditionally been used as the primary measure of scale reliability for assessment tools that have been developed using classical psychometric theory. Recently, however, psychometricians have raised concerns about the ongoing use of Cronbach's alpha as a robust measure of scale reliability. In its place, some have argued that reliability estimates should be based on greatest lower bound (GLB) and omega estimations. The purpose of this paper is to describe and compare these alternative reliability measures to Cronbach's alpha for a widely used research‐focused financial risk‐tolerance scale. Using a dataset with 179,450 observations, findings from this study suggest that while estimates based on Cronbach's alpha, omega, and the GLB do differ, for the most part, reliability estimates across the measures are more similar than dissimilar.
NIR‐II Fluorescent Probe for Detecting Trimethylamine Based on Intermolecular Charge Transfer
Authors: Zhao Shuai , Xu Manman , Liu Ruixin , Xue Yonggan , Nie Jun , Chang Yincheng 
Published: March 2022

AbstractA new kind of small organic NIR‐II fluorophore molecule (ZS‐1010) based on intermolecular charge transfer was developed as a NIR‐II fluorescent probe for trimethylamine (TMA) detection, which is important for the diagnosis of cardiovascular disease, chronic kidney disease and diabetes. ZS‐1010 has a strong push–pull electron system composed of electron donor unit and electron acceptor unit, exhibiting strong absorption and emission in the NIR‐II region. When mixed with TMA which possesses strong electron‐donating characteristics, the push–pull system of ZS‐1010 will be affected along with the dipole moment change, leading to the quenching of fluorescence. This is the first example of TMA fluorescent probe in the NIR‐II window showing deep penetration, fast response speed, high selectivity and pH stability.
Design and Preparation of Electrocatalysts by Electrodeposition for CO2Reduction
Authors: Liu Jiyuan , Li Pengsong , Bi Jiahui , Zhu Qinggong , Han Buxing 
Published: March 2022

AbstractWith the increasing emission of carbon dioxide (CO2), the conversion and utilization of CO2have become a topic of increasing concern. Electrochemical CO2reduction reaction (CO2RR) is an attractive and sustainable approach for solving energy and environmental problems. Design of efficient catalysts is crucial for achieving highly efficient CO2RR. Different methods to prepare catalysts have been reported and used. Among them, electrodeposition is one of the common approaches, which has some obvious advantages, such as requiring simple equipment, environmentally benign. Especially, it can direct deposit catalysts on different substrates to prepare electrodes for CO2RR. In this review, we discuss recent advances in design and preparation of the catalysts by electrodeposition and their applications in CO2RR. Furthermore, the perspective of this promising area is also discussed.
Development of a novel HPLC‐ESI‐MS/MS method to analyze the stereoselective pharmacokinetics and tissue distribution of isoconazole enantiomers in rats
Authors: Zhu Yuanyuan , Wang Lina , Guo Guoxian , Tang Jing , Yu Jia 
Published: March 2022

AbstractIsoconazole with an asymmetrical carbon is a broad‐spectrum antimicrobial imidazole, but there is still lack of relevant report about the potential enantioselectivity in biological samples. The object of this research was to develop and validate a sensitive and effective high performance liquid chromatography‐electrospray ionization coupled with tandem mass spectrometry (HPLC‐ESI‐MS/MS) method for stereoselective separation and determination of isoconazole enantiomers in Sprague‐Dawley (SD) rat plasma and tissues. The greater enantioseparation of isoconazole enantiomers was obtained on a Chiralpak IC column with a mobile phase consisted of acetonitrile‐10 mM aqueous ammonium acetate (90:10, v/v) under the reversed‐phase mode. Subsequently, the studied compounds and internal standard (IS) were detected on a multiple reaction monitoring (MRM) mode with positive electrospray ionization source. The experimental and theoretical Electronic Circular Dichroism (ECD) spectra were employed to confirm the absolute configuration of isoconazole enantiomers. Eventually, after full method validation, the newly developed method was successfully applied to the study of enantioselectivity in plasma and tissues in SD rats. Results illustrated that the enantioselective differences in plasma were observed for the evidence that the concentrations of S‐(−)‐isoconazole were always higher than R‐(+)‐isomer. In terms of tissue distribution, liver, kidney, lung, spleen, and small intestine were the mainly distributed tissues and then followed by heart and muscle. This is the first study to reveal the stereoselective behavior of isoconazole enantiomers in vivo, which also provides reliable and valuable reference for further elucidating the enantioselective metabolisms of isoconazole enantiomers.
Systematic Simulation Strategy of Plasma Methane Pyrolysis for CO2‐Free H2
Authors: Magazova Aliya , Böddeker Simon , Bibinov Nikita , Agar David W. 
Published: March 2022

AbstractRecently, the direct conversion of methane into hydrogen using cold plasma reactors has attracted increasing attention, since hydrogen has considerable potential as a future feedstock in the steel and chemical industries. However, the simulation of plasma pyrolysis reactors is extremely complex due to the vast temporal and spatial ranges of the variables involved and steep gradients. Previously, methane pyrolysis has been meticulously modeled by 0D simulations, and 3D plasma modeling has been largely confined to Argon systems. In this paper, a systematic methodology is presented, which provides an expedient and efficient hierarchy of 0D to 3D simulations, in order to approximate the methane pyrolysis simulation of a plasma reactor in its entirety. Various simulation tools are applied in a coordinated and pragmatic manner. The results show that the proposed synergy allows simplification of the reaction set and arc characteristics, significantly reducing the runtime required for the simulations.
Conjugates of Tacrine with Salicylamide as Promising Multitarget Agents for Alzheimer's Disease
Authors: Grishchenko Maria V. , Makhaeva Galina F. , Burgart Yanina V. , Rudakova Elena V. , Boltneva Natalia P. , Kovaleva Nadezhda V. , Serebryakova Olga G. , Lushchekina Sofya V. , Astakhova Tatiana Y. , Zhilina Ekaterina F. , Shchegolkov Evgeny V. , Richardson Rudy J. , Saloutin Victor I. 
Published: March 2022

AbstractNew conjugates of tacrine and salicylamide with alkylene spacers were synthesized and evaluated as potential multifunctional agents for Alzheimer's disease (AD). The compounds exhibited high acetylcholinesterase (AChE, IC50 to 0.224 μM) and butyrylcholinesterase (BChE, IC50 to 0.0104 μM) inhibitory activities. They were also rather poor inhibitors of carboxylesterase, suggesting a low tendency to exert potential unwanted drug‐drug interactions in clinical use. The conjugates were mixed‐type reversible inhibitors of both cholinesterases and demonstrated dual binding to the catalytic and peripheral anionic sites of AChE in molecular docking that, along with experimental results on propidium iodide displacement, suggest their potential to block AChE‐induced β‐amyloid aggregation. The new conjugates exhibited high ABTS.+‐scavenging activity. N‐(6‐(1,2,3,4‐Tetrahydroacridin‐9‐ylamino)hexyl)salicylamide is a lead compound that also demonstrates metal chelating ability toward Cu2+, Fe2+ and Zn2+. Thus, the new conjugates have displayed the potential to be multifunctional anti‐AD agents for further development.
Cross‐domain opinion classification via aspect analysis and attention sharing mechanism
Authors: Singh Rahul Kumar , Sachan Manoj Kumar , Patel Ram Bahadur 
Published: March 2022

AbstractThe purpose of cross‐domain opinion classification is to leverage useful information acquired from the source domain to train a classifier for opinion classification in the target domain, which has a huge amount of unlabeled data. An opinion classifier trained on a specific domain usually acts poorly, when directly employed to another domain. Annotating the data for all the domains is a laborious and costly process. The majority of available approaches are centered on identifying invariant features among domains. Unluckily, they are unable to properly capture the context within the sentences and better utilization of unlabeled data. To properly address this issue, we propose an aspect‐based attention model for cross‐domain opinion classification. By incorporating knowledge of aspects and sentences, the proposed model provides a transfer mechanism for better‐transferring opinions among domains. We introduce two learning networks, first learning network aims to recognize the shared features between domains, while the purpose of the second learning network is to extract the information from the aspects by utilizing shared words as a bridge. We benefit from BERT and bidirectional gated recurrent unit to get a deep understanding and deep level semantic information of the text. Further, the joint attention learning mechanism is performed for these two learning modules so that the aspects and sentences can impact the resulting opinion expression. In addition, we introduce a gradient reversal layer to obtain invariance features. The comprehensive experiments are performed on Amazon multidomain product datasets and show the effectiveness and significance of the proposed model over state‐of‐the‐art techniques.
Mechanism of Oxygen Reduction Reaction in Alkaline Medium on Nitrogen‐Doped Graphyne and Graphdiyne Families: A First Principles Study
Authors: Das Bikram Kumar , Sen Dipayan , Chattopadhyay K. K. 
Published: March 2022

AbstractUsing extensive first principles protocols, a systematic investigation is performed to probe the oxygen reduction reaction (ORR) mechanism on nitrogen (N) doped graphynes (Gys, e. g. αGy, βGy, γGy and 6,6,12Gy) and graphdiyne (Gdy) in alkaline medium. We considered both associative and dissociative pathways, as well as two distinct intermediate forks for each of them depending on the first protonation site(s). Following the dissociative approach, the activation energy to form an O2 dissociated configuration is found as a function of the distances migrated by the O atoms over the catalyst surface and the amount of charge transferred from the C atoms linked to N. N doped αGy and 6,6,12Gy emerged as the best electrocatalyst comparing both pathways having lowest overpotentials of 0.88 and 0.82 V, respectively. The rate‐limiting steps for the two different intermediate routes are observed to be dependent on the first protonation site(s) and related to the desorption of the OH radical from the sp hybridized C atom site(s) linked to N. Hence, the OH adsorption energy is identified as a descriptor for the efficiency of the ORR for the considered systems. The stabilities of the ORR intermediates are further elaborated in terms of pH and electrode potential.
Enzymatic Noncovalent Synthesis for Targeting Subcellular Organelles
Authors: Zhang Qiuxin , Tan Weiyi , Xu Bing 
Published: March 2022

AbstractEnzymatic noncovalent synthesis (ENS) exploits enzymatic reactions to produce spatially organized higher‐order supramolecular assemblies that modulate cellular processes. While ENS is a general mechanism to create higher‐order assemblies of proteins for diverse cellular functions, the exploration of ENS of other bioactive molecules, such as peptides or small organic molecules, is rather limited. Since ENS generates non‐diffusive supramolecular assemblies locally, it provides a unique approach to targeting subcellular organelles. In this Review, we highlight the recent progress of the application of ENS of peptide assemblies for targeting subcellular organelles. After a brief introduction of the concept of ENS, we introduce the case of generating artificial filaments by ENS in cell cytosol, then discuss the use of ENS for targeting endoplasmic reticulum, mitochondria, Golgi apparatus, and lysosomes, and finally we describe the targeting of nucleus by ENS. We hope to illustrate the promise of ENS, as a localized molecular process in an open system, for understanding diseases, controlling cell behaviors, and developing new therapeutics.
Solid‐State Assembly by Chelating Chalcogen Bonding in Quinodimethane Tetraesters Fused with a Chalcogenadiazole
Authors: Ishigaki Yusuke , Asai Kota , Jacquot de Rouville Henri‐Pierre , Shimajiri Takuya , Hu Johnny , Heitz Valérie , Suzuki Takanori 
Published: March 2022

AbstractIn contrast to p‐quinodimethane tetraesters, which undergo facile polymerization due to their diradical character, newly synthesized 1 and 2 consisting of a chalcogenadiazole fused to a p‐naphthoquinodimethane tetraester are thermodynamically stable due to butterfly‐shaped deformation. Such a folded molecular structure is also favorable for chalcogen bond (ChB) formation through intermolecular close contacts between a chalcogen atom (E: Se or S) and the oxygen atoms of ester groups in a crystal. The less‐explored chelating‐ChB through a C=O⋅⋅⋅E⋅⋅⋅O=C contact [Se⋅⋅⋅O: 2.94–3.37 Å] is the key supramolecular synthon for the formation of a one‐dimensional rod‐like assembly in a crystal, which is commonly observed in selenadiazole‐tetraesters (1) with OMe, OEt, and OiPr groups. The formation of inclusion cavities between the rods shows that 1 could serve as solid‐state host molecules for clathrate formation, as found in a hexane‐solvated crystal. In contrast, thiadiazole‐tetraesters (2) are less suitable for the formation of a rod‐like assembly since the ChB involving S is less effective, and thus is overwhelmed by weak hydrogen bonds through C−H⋅⋅⋅O contacts.
Covalent Organic Frameworks Doped with Different Ratios of OMe/OH as Fluorescent and Colorimetric Sensors
Authors: Yang Jilu , Cao Yuping , Si Wenbo , Zhang Jin , Wang Jiemin , Qu Yi , Qin Wenwu 
Published: March 2022

AbstractImproving the luminescence properties of covalent organic frameworks (COFs) has always been an important issue. Here, a series of COFs (([OMe]x−TzDa (TzDa is composed only by monomerics Tz and Da, OMe represents the incorporation of monomeric Dm)) with different ratios of OMe and OH were designed and synthesized. The photochemical behavior of [OMe]x−TzDa changed significantly due to the synergistic effect of aggregation induced emission (AIE), intramolecular charge transfer (ICT), and excited‐state intramolecular proton transfer (ESIPT) effects. [OMe]2−TzDa, which contained a ratio of 2/1 of OMe/OH, showed the strongest fluorescence emission in water and the best linear relationship for the detection of pH. Furthermore, [OMe]2−TzDa was used to monitor HCl and NH3 gases and showed a color change, visible to the naked eye. Therefore, a “confidential pigment” was successfully made. Moreover, [OMe]2−TzDa was also applied to detect N2H4. The work indicates the [OMe]2−TzDa can serve as the first fluorescence sensor to detect pH, HCl and NH3 gases, which also shows a good response to N2H4.
A rapid method for the assessment of the vitality of microorganisms using flow cytometry
Authors: Bouix Marielle , Ghorbal Sarrah , Picque Daniel , Perret Bruno , Saulou‐Bérion Claire 
Published: March 2022

AbstractCultivability, viability, and vitality make it possible to characterize the behavior of a cellular population. Vitality was assessed using the kinetic parameters of specific metabolisms depending on whether the strains were used, for example, for the acidification of lactic acid bacteria or for CO2 production in fermenting yeasts. However, these methods are time‐consuming. We developed a cytometric descriptor based on the energy‐dependent extrusion of carboxyfluorescein from cells, subsequent to carboxyfluorescein diacetate staining, and compared it to the measurements of metabolic activities of various bacteria and yeasts. For all of the microorganisms tested, the cytometric descriptor ΔFI15 was well correlated with the results of the metabolic measurements and, moreover, has the advantage of being easier and faster to use than metabolic methods. It can be very useful for evaluating the vitality of the starters before inoculation in industrial processes.
Optimizing detection of erythropoietin receptor agonists from dried blood spots for anti‐doping application
Authors: Heiland Carmel E. , Ericsson Magnus , Pohanka Anton , Ekström Lena , Marchand Alexandre 
Published: March 2022

AbstractThe World Anti‐Doping Agency (WADA) has recently implemented dried blood spots (DBSs) as a matrix for doping control. However, specifications regarding the analysis of the class of prohibited substances called erythropoietin (EPO) receptor agonists (ERAs) from DBSs are not yet described. The aim of this study was to find optimal conditions (sample volume and storage) to sensitively detect endogenous erythropoietin (hEPO) and prohibited ERAs from DBSs and compare detection limits to WADA‐stipulated minimum required performance levels (MRPLs) for ERAs in serum/plasma samples. Venous whole blood was spotted onto Whatman 903 DBS cards with primarily 60 μl of blood, but various volumes from 20 to75 μl were tested. All samples were immunopurified with MAIIA EPO Purification Gel kit (EPGK) and analysed with sodium N‐lauroylsarcosinate polyacrylamide gel electrophoresis (SAR‐PAGE) and Western blot. Sixty‐microliter DBSs allowed the detection of the four main ERAs (BRP, NESP, CERA and EPO‐Fc) at concentrations close to WADA's MRPLs described for 500 μl of serum/plasma. Different storage temperatures, from −20°C to 37°C, were evaluated and did not affect ERA detection. A comparison of the detection of endogenous EPO from the different anti‐doping matrices (urine, serum and DBSs produced from upper arm capillary blood) from five participants for 6 weeks was performed. Endogenous EPO extracted from DBSs showed intra‐individual variations in male and female subjects, but less than in urine. Doping controls would benefit from the stability of ERAs on DBSs: It can be a complementary matrix for ERA analysis, particularly in the absence of EPO signals in urine.
Associating life stages and sexes of Nearctic Polycentropus Curtis, 1835 (Trichoptera: Polycentropodidae) using mitochondrial DNA barcoding
Authors: Orfinger Alexander B. , Morse John C. , Hix Raymond L. 
Published: March 2022

AbstractAlpha taxonomy of caddisflies (order Trichoptera) is based primarily on male genital morphology. As such, associations of adult females and other life stages typically require conclusive association with the species’ identifiable male. The aim of this study was to use molecular methods to associate females and larvae of Polycentropus species represented in the Nearctic. Analysis of mtCOI sequences using distance‐ and tree‐based methods resulted in the association of larvae for 14 species of Polycentropus (P. alabamensis Hamilton, Harris & Lago, 1990, P. blicklei Ross & Yamamoto 1965, P. carlsoni Morse 1971, P. carolinensis Banks 1905, P. colei Ross 1941, P. confusus Hagen 1861, P. denningi Smith 1962, P. elarus Ross 1944, P. gertschi Denning 1950, Polycentropus halidus Milne 1936, P. maculatus Banks 1908, P. pentus Ross 1941, P. rickeri Yamamoto 1966, and P. variegatus Banks 1900) and females for 2 species (P. carolinensis and P. chelatus Ross & Yamamoto 1965). Searches for, and descriptions of, diagnostic morphological characters for these previously unidentifiable life forms are now possible. The identity of the larva of P. centralis Banks, 1914 is confirmed and some interesting phylogenetic relationships and a possible cryptic species and potential synonyms are implied in the results. Targets for future immature‐ and female–male associations are discussed along with a preliminary assessment of morphological differences among larvae.