bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bioevaluation of synthetic pyridones as dual inhibitors of α‐amylase and α‐glucosidase enzymes and potential antioxidants
Authors: Saleem Faiza , Khan Khalid Mohammed , Ullah Nisar , Özil Musa , Baltaş Nimet , Hameed Shehryar , Salar Uzma , Wadood Abdul , Rehman Ashfaq Ur , Kumar Mukesh , Taha Muhammad , Haider Syed Moazzam 
Published: October 2022

AbstractHerein, a library of novel pyridone derivatives 1–34 was designed, synthesized, and evaluated for α‐amylase and α‐glucosidase inhibitory as well as antioxidant activities. Pyridone derivatives 1–34 were synthesized via a one‐pot multi‐component reaction of variously substituted aromatic aldehydes, acetophenone, ethyl cyanoacetate, and ammonium acetate in absolute ethanol. Synthetic compounds 1–34 were structurally characterized by different spectroscopic techniques. Most of the tested compounds showed more promising inhibition potential than the standard acarbose (IC50 = 14.87 ± 0.16 µM) but compounds 13 and 12 were found to be the most potent compounds with IC50 values of 9.20 ± 0.14 µM and 3.05 ± 0.18 µM against α‐amylase and α‐glucosidase enzymes, respectively. Compounds 1–34 also displayed moderate antioxidant potential in the range of IC50 = 96.50 ± 0.45 to 189.98 ± 1.00 µM in comparison to the control butylated hydroxytoluene (BHT) (IC50 = 66.50 ± 0.36 µM), in DPPH radical scavenging activities. Additionally, all synthetic derivatives were subjected to a molecular docking study to investigate the interaction details of compounds 1–34 (ligands) with the active site of enzymes (receptors). These results indicate that the newly synthesized pyridone class may serve as promising lead candidates for controlling diabetes mellitus and as antioxidants.
Autoreactive Plasmablasts After B Cell Depletion With Rituximab and Relapses in Antineutrophil Cytoplasmic Antibody–Associated Vasculitis
Authors: Berti Alvise , Hillion Sophie , Konig Maximilian F. , Moura Marta Casal , Hummel Amber M. , Carmona Eva , Peikert Tobias , Fervenza Fernando C. , Kallenberg Cees G.M. , Langford Carol A. , Merkel Peter A. , Monach Paul A. , Seo Philip , Spiera Robert F. , Brunetta Paul , St. Clair E. William , Harris Kristina M. , Stone John H. , Grandi Guido , Pers Jacques‐Olivier , Specks Ulrich , Cornec Divi 
Published: October 2022

ObjectiveAutoreactive B cells are responsible for antineutrophil cytoplasmic antibody (ANCA) production in ANCA‐associated vasculitis (AAV). Rituximab (RTX) depletes circulating B cells, including autoreactive B cells. We aimed to evaluate changes and associations with relapse of the circulating autoreactive B cell pool following therapeutic B cell depletion in AAV.MethodsSequential flow cytometry was performed on 148 samples of peripheral blood mononuclear cells from 23 patients with proteinase 3 (PR3)–ANCA–positive AAV who were treated with RTX for remission induction and monitored after stopping therapy during long‐term follow‐up in a prospective clinical trial. PR3 was used as a ligand to target autoreactive PR3‐specific (PR3+) B cells. B cell recurrence was considered as the first blood sample with ≥10 B cells/μl after RTX treatment.ResultsAt B cell recurrence, PR3+ B cell frequency among B cells was higher than baseline (P < 0.01). Within both PR3+ and total B cells, frequencies of transitional and naive subsets were higher at B cell recurrence than at baseline, while memory subsets were lower (P < 0.001 for all comparisons). At B cell recurrence, frequencies of B cells and subsets did not differ between patients who experienced relapse and patients who remained in remission. In contrast, the plasmablast frequency within the PR3+ B cell pool was higher in patients who experienced relapse and associated with a shorter time to relapse. Frequencies of PR3+ plasmablasts higher than baseline were more likely to be found in patients who experienced relapse within the following 12 months compared to those in sustained remission (P < 0.05).ConclusionThe composition of the autoreactive B cell pool varies significantly following RTX treatment in AAV, and early plasmablast enrichment within the autoreactive pool is associated with future relapses.
Osseous topography in biologically driven flap design in minimally invasive regenerative therapy: A classification proposal
Authors: Velasquez‐Plata Diego 
Published: October 2022

AbstractMinimally invasive periodontal regenerative surgical procedures are a paradigm shift that demands a unique approach encompassing specialized armamentarium, magnification tools, knowledge of handling properties of biomaterials, and specific flap designs. Biologically driven flap design is dictated by optimal soft and hard tissue handling, flap perfusion, and wound stability, all in the pursuit of primary intention healing. The unique architecture of the infrabony defect is a determining factor on incision tracing, boundaries of flap extension, and biomaterial selection. The purpose of this article is to propose a flap design classification based on the osseous topography of infrabony defects during biologically driven minimally invasive surgical periodontal regenerative therapy.
Enzymatic Generation of Double‐Modified AdoMet Analogues and Their Application in Cascade Reactions with Different Methyltransferases
Authors: Erguven Mehmet , Cornelissen Nicolas V. , Peters Aileen , Karaca Ezgi , Rentmeister Andrea 
Published: October 2022

AbstractMethyltransferases (MTases) have become an important tool for site‐specific alkylation and biomolecular labelling. In biocatalytic cascades with methionine adenosyltransferases (MATs), transfer of functional moieties has been realized starting from methionine analogues and ATP. However, the widespread use ofS‐adenosyl‐l‐methionine (AdoMet) and the abundance of MTases accepting sulfonium centre modifications limit selective modification in mixtures. AdoMet analogues with additional modifications at the nucleoside moiety bear potential for acceptance by specific MTases. Here, we explored the generation of double‐modified AdoMets by an engineeredMethanocaldococcus jannaschiiMAT (PC‐MjMAT), using 19 ATP analogues in combination with two methionine analogues. This substrate screening was extended to cascade reactions and to MTase competition assays. Our results show that MTase targeting selectivity can be improved by using bulky substituents at the N6of adenine. The facile access to >10 new AdoMet analogues provides the groundwork for developing MAT‐MTase cascades for orthogonal biomolecular labelling.
Engineering Liganded Gold Nanoclusters as Efficient Theranostic Agents for Cancer Applications
Authors: Bonačić‐Koutecký Vlasta , Le Guével Xavier , Antoine Rodolphe 
Published: October 2022

AbstractLuminescent gold nanoclusters are rapidly gaining attention as efficient theranostic targets for imaging and therapeutics. Indeed, their ease of synthesis, their tunable optical properties and tumor targeting make them potential candidates for sensitive diagnosis and efficacious therapeutic applications. This concept highlights the key components for designing gold nanoclusters as efficient theranostics focusing on application in the field of oncology.
Synthetic Studies with Bacitracin A and Preparation of Analogues Containing Alternative Zinc Binding Groups
Authors: Buijs Ned , Vlaming Halana C. , van Haren Matthijs J. , Martin Nathaniel I. 
Published: October 2022

AbstractThe growing threat of drug‐resistant bacteria is a global concern, highlighting the urgent need for new antibiotics and antibacterial strategies. In this light, practical synthetic access to natural product antibiotics can provide important structure‐activity insights while also opening avenues for the development of novel analogues with improved properties. To this end, we report an optimised synthetic route for the preparation of the clinically used macrocyclic peptide antibiotic bacitracin. Our combined solid‐ and solution‐phase approach addresses the problematic, and previously unreported, formation of undesired epimers associated with the stereochemically fragile N‐terminal thiazoline moiety. A number of bacitracin analogues were also prepared wherein the thiazoline motif was replaced by other known zinc‐binding moieties and their antibacterial activities evaluated.
Toluene Removal By A Sequential Adsorption‐Thermal Catalytic Process On Ag/Hopcalite
Authors: Sonar Shilpa , Giraudon Jean‐Marc , Lamonier Jean‐François , Morent Rino , De Geyter Nathalie , Löfberg Axel 
Published: October 2022

AbstractHopcalite supported Ag (wt.%: 0.5; 1; 2; 10)‐containing materials were prepared by wet impregnation followed by calcination at 400 °C for adsorption‐thermal catalytic oxidation of toluene. Based on breakthrough experiments, the duration of the adsorption step was set around 38 min to minimize toluene loss at the outlet of the reactor (<3 mol% of the amount of toluene adsorbed) allowing to determine a dynamic useful adsorption capacity for toluene. Thermal oxidation was performed in a He : O2 (75 : 25) gaseous mixture from 20 °C to 250 °C (90 min) to assess the catalytic properties of the bifunctional materials throughout on‐line monitoring of unreacted toluene and CO2 during the temperature programmed reaction. Hop‐0.5 Ag exhibited the best performance with a CO2 yield of 98.9 %. Excellent redox properties and minimization of thermal effects were invoked to enhance total oxidation of toluene. Additionally, these bifunctional materials showed good stability under cycling conditions.
Harnessing Keto‐Enol Tautomerism to Modulate β‐Ketoenamine‐based Covalent Organic Frameworks for Visible‐Light‐Driven CO2 Reduction
Authors: Ai Lvye , Li Wanrong , Wang Qian , Cui Fuzhi , Jiang Guofang 
Published: October 2022

AbstractCovalent organic frameworks (COFs) have attracted extensive attention as promising photocatalysts for CO2 reduction. However, there are few reports on the relationship between keto‐enol tautomerism and COFs photocatalyst activity. Three different β‐ketoenamine‐based COFs were prepared by varying the proportion of hydroxyl units in the aldehyde precursor, in which only the HCOF‐2 shows the structural features of the reversible keto‐enol tautomerism. Through density functional theory (DFT) calculations and experiments, the effects of keto‐enol tautomerism on the light absorption intensity, band position, band gap, and carrier separation of these COFs were investigated. The reversible keto‐enol tautomerism contributes to narrowing the band gap and promoting the light absorption capacity. In addition, the reversible keto‐enol tautomerism leads to molecular polarization, which promotes the separation and transmission of carriers within the material. As a result, HCOF‐2 exhibits optimal photocatalytic activity, yielding 309 and 96 μmol g−1 of CO and CH4 respectively within 10 h. This work provides an explanation of the relationship between keto‐enol tautomerism and photocatalytic activity.
Improved Performance of a Europium‐based Metal‐Organic Framework for Cyanosilylation of Demanding Ketones
Authors: Pérez Juana M. , Echenique‐Errandonea Estitxu , Rojas Sara , Choquesillo‐Lazarte Duane , Seco José M. , López‐Vargas Mireya E. , Rodríguez‐Diéguez Antonio , Fernández Ignacio 
Published: October 2022

AbstractSolvothermally promoted assembly of the multifunctional 3‐amino‐4‐hydroxybenzoic acid ligand with the corresponding Eu salt gives rise to the formation of a porous metal‐organic framework with the general formula {[Eu5L6(OH)3(H2O)3] ⋅ 5DMF}n (1) that has been tested as heterogeneous catalyst for the cyanosilylation of a broad scope of ketones in solvent‐free conditions, using the lowest catalyst loading of 0.5 mol% ever reported, and exhibiting no leak and high recyclability.
Constrained Geometry ansa‐Half‐Sandwich Complexes of Magnesium – Versatile s‐Block Catalysts
Authors: Wirtz Lisa , Ghulam Kinza Yasmin , Morgenstern Bernd , Schäfer André 
Published: October 2022

AbstractThe synthesis, characterization and catalytic application of a series of constrained geometry ansa‐half‐sandwich complexes of magnesium is reported. These versatile s‐block catalysts were applied in different dehydrocoupling and hydroelementation reactions, demonstrating a broad applicability with particularly remarkable performance in dehydrocoupling reactions.
Hybrid Technique for Removal of Arsenic from Drinking Water
Authors: Sarkar Soumi , Hazra Soumendu , Chakraborty Kaushik , Nayak Ananya , Saha Prabirkumar 
Published: October 2022

AbstractAmalgamation of a supported liquid membrane (SLM) and electrocoagulation are carried out to remove As(III) and As(V) from drinking water to achieve a high treatment efficiency. The process is based on uphill transport of arsenic ions against their concentration gradients across phases and has the advantage of simultaneous extraction and recovery followed by electrocoagulation of arsenic. The aim of the process is selective separation of arsenic from drinking water and to reduce its concentration below 10 ppb. An iron‐arsenic precipitate is obtained by using an iron anode and the said precipitate is a value‐added saleable product. Various adsorption isotherms are evaluated to understand the removal mechanism of arsenic by the formation of iron‐arsenic precipitates. The Freundlich isotherm and Dubinin‐Radushkevich model are found to fit well with the adsorption data of the removal of arsenic ions.
Preorganized Polyaromatic Soft Terdentate Hosts for the Capture of [Ln(β‐diketonate)3] Guests in Solution
Authors: Naseri Soroush , Mirzakhani Mohsen , Besnard Céline , Guénée Laure , Briant Liza , Nozary Homayoun , Piguet Claude 
Published: October 2022

AbstractThe concept of preorganization is famous in coordination chemistry for having transformed flexible bidentate 2,2’‐bipyridine scaffolds into rigid 1,10‐phenanthroline platforms. The resulting boosted affinities for d‐block cations has successfully paved the way for the design of a wealth of functional complexes, devices and materials for analysis and optics. Its extension toward terdentate homologues adapted for the selective complexation of f‐block cations with larger coordination numbers remains more overlooked. The resulting rigidification of 2,6‐bis(1‐methyl‐1H‐benzo[d]imidazol‐2‐yl)pyridine ligands (L1–L7) produces the highly preorganized and extended polyaromatic benzo[4′,5′]imidazo[1′,2′ : 1,2]pyrido[3,4‐b]benzo[4,5]imidazo[1,2‐h][1,7]naphthyridines (L8–L11) receptors, which offer some novel and rare opportunities for efficiently complexing trivalent lanthanides with polyaromatic soft terimine ligands. The crystal structures of the stable heteroleptic [LkLn(hfac)3] adducts (Lk=L1,L8,L9; Ln=La, Eu, Gd, Er, Yb, Y; H‐hfac=1,1,1,5,5,5‐hexafluoropentane‐2,4‐dione) show a drastic decrease in the Ln−N bond valences upon replacement of the flexible ligandL1with its preorganized counterpartsL8andL9. This points to a limited match between the preorganized cavity and the entering [Ln(hfac)3] lanthanide containers. However, thermodynamic studies conducted in dichloromethane reach the opposite conclusion, with an improved affinity, by up to three orders of magnitude for catching Ln(hfac)3whenL1is replaced by the preorganizedL8–L9receptors. The key to the enigma lies in the removal of the energy penalty which accompanies the formation of flexible [L1Ln(hfac)3] complexes in solution. This driving force overcomes the poor match between the preorganized terdentate N∩N∩N cavity inL8andL9and the size of trivalent lanthanides. As planned, the rigid, planar and extended π‐conjugated system found inL8andL9shifts the ligand‐centered absorption bands by about 5000 cm−1toward lower energies, a crucial point if these stable [L8Ln(hfac)3] and [L9Ln(hfac)3] platforms have to be considered for the visible sensitization of luminescent lanthanides in metallopolymers.
Particle Technology in the Formulation and Fabrication of Thermal Energy Storage Materials
Authors: Jiang Zhu , Li Xinyi , Jin Yi , Zhang Xiaosong , Tong Lige , Wang Li , Ding Yulong 
Published: October 2022

AbstractThis article reviews the state of the art of the formulation and fabrication of sensible, latent, and thermochemical thermal energy storage (TES) materials with special focus on the role of particle technology in enhancing the performance of these materials. Molten salt‐based sensible TES materials have been intensively studied, particularly the use of doped nanoparticles for enhancing specific heat capacity and thermal conductivity. For latent TES, the inclusion of property enhancers is among the most effective approaches to address the low thermal conductivity and supercooling issues of phase change materials (PCMs), whereas the encapsulation of PCMs and structurally stabilized composite PCMs are the favorable methods to address leakage and chemical incompatibility challenges. Thermochemical TES materials are often incorporated with an inert or an active host matrix for structural stabilization.
New efficient logarithmic estimators using multi‐auxiliary information under ranked set sampling
Authors: Bhushan Shashi , Kumar Anoop 
Published: October 2022

SummaryThis article proposes a new efficient logarithmic class of estimators for estimating the population mean in the case of multi‐auxiliary information using ranked set sampling. The bias and mean square error of the proposed estimators are reported up to the first order of approximation. It is demonstrated analytically and numerically that the proposed estimators are always better than their competitors. We accomplished an empirical study using some real populations and a simulation study using some artificially generated populations to support the analytical comparisons between the proposed estimators and their competitors.
Porous Mn2+ Magnet with a Pt−Cl Framework: Correlation between Water Vapor Adsorption/Desorption and Slow Magnetic Relaxation
Authors: Nakajima Hirotaka , Uchida Kaiji , Yoshida Takefumi , Horii Yoji , Sato Tetsu , Luming Zhang , Yamashita Satoshi , Nakazawa Yasuhiro , Agulto Verdad C. , Nakajima Makoto , Breedlove Brian K. , Yamashita Masahiro , Iguchi Hiroaki , Takaishi Shinya 
Published: October 2022

AbstractWe report the water adsorption/desorption behavior and dynamic magnetic properties of the Pt−Cl chain complex [{[Pt(en)2][PtCl2(en)2]}3][{(MnCl5)Cl3}2] ⋅ 12H2O (1). Upon heating 1 in a vacuum, we obtained the dehydrated form [{[Pt(en)2][PtCl2(en)2]}3][{(MnCl5)Cl3}2] (1DH). The framework structures of 1 and 1DH are identical, and both complexes underwent slow magnetic relaxation. However, the magnetic relaxation times for 1DH were shorter than those for 1, meaning that the dynamic magnetic properties were controlled upon water vapor adsorption/desorption. From detailed analyses of the dynamic magnetic behavior, a phonon‐bottleneck effect contributes to the magnetic relaxation processes. We discuss the mechanism for the changes in the magnetic relaxation processes upon dehydration in terms of the heat capacity and thermal conductivity.
ABO gene editing for the conversion of blood type A to universal type O in Rhnull donor‐derived human‐induced pluripotent stem cells
Authors: Petazzi Paolo , Miquel‐Serra Laia , Huertas Sergio , González Cecilia , Boto Neus , Muñiz‐Diaz Eduardo , Menéndez Pablo , Sevilla Ana , Nogués Núria 
Published: October 2022

AbstractThe limited availability of red cells with extremely rare blood group phenotypes is one of the global challenges in transfusion medicine that has prompted the search for alternative self‐renewable pluripotent cell sources for the in vitro generation of red cells with rare blood group types. One such phenotype is the Rhnull, which lacks all the Rh antigens on the red cell membrane and represents one of the rarest blood types in the world with only a few active blood donors available worldwide. Rhnull red cells are critical for the transfusion of immunized patients carrying the same phenotype, besides its utility in the diagnosis of Rh alloimmunization when a high‐prevalence Rh specificity is suspected in a patient or a pregnant woman. In both scenarios, the potential use of human‐induced pluripotent stem cell (hiPSC)‐derived Rhnull red cells is also dependent on ABO compatibility. Here, we present a CRISPR/Cas9‐mediated ABO gene edition strategy for the conversion of blood type A to universal type O, which we have applied to an Rhnull donor‐derived hiPSC line, originally carrying blood group A. This work provides a paradigmatic example of an approach potentially applicable to other hiPSC lines derived from rare blood donors not carrying blood type O.
Guidelines for the antidiabetic assay for bioactive substances in cell model
Authors: Teng Hui , Zhang Chang , Ai Chao , Cao Hui , Xiao Jianbo , Chen Lei 
Published: October 2022

AbstractDiabetes is a group of metabolic diseases characterized by hyperglycemia. Insulin resistance (IR) and insufficient insulin secretion are important pathophysiological basis and significant characteristics of diabetes. At present, animal is still the main model for investigation of Antidiabetic activity of bioactive substances, however, in vivo models always has the problems of long experimental cycle, complicated experiment, and high cost. Compared with the animal models, cell culture could avoid some impossible or difficult to eliminate under natural conditions, and observe the experimental results more simply, economically, quickly, and objectively. In this case, the establishment of in vitro diabetic cell model has gradually developed. Recently, cell models are more widely used in high‐throughput screening, metabolism analysis, molecular pharmacology investigation, pharmacodynamics evaluation of natural product, cell function, interaction between receptors and cytokines, and so on. These guidelines will point out and discuss to help researchers to choose cell model that are truly reliable and can be successfully applied for their intended investigation of antidiabetic activity.
Pharmacokinetics of niazirin from Moringa oleifera Lam in rats by UPLC‐MS/MS: Absolute bioavailability and dose proportionality
Authors: Wang Fang , Yang Gaohong , Zhou Yang , Song Haizhong , Xiong Ling , Wang Luanfeng , Shen Xinchun 
Published: October 2022

AbstractNiazirin is a nitrile glycoside isolated from the pods and leaves of Moringa oleifera and possesses antidiabetic activity. However, its pharmacokinetic properties have not been well studied yet. The present study aims to establish a specific, rapid, and simple method for the determination of niazirin in rat plasma and apply it to evaluate its absolute bioavailability and dose proportionality. MS/MS detection was performed in multiple reaction monitoring modes with negative electrospray ionization. The precursor–product ion transitions were m/z 278.1 [M‐H]− → 130.8 for niazirin and m/z 316.9 [M‐H]− → 271.0 for IS. The intra‐ and inter‐day precision (RSD) was <11.53% and the accuracy (RE) ranged from 6.20% to 9.68%. The extraction recoveries ranged from 87.92% to 91.82%. Absolute bioavailability in rats was assessed by comparing pharmacokinetic results after the oral (5, 20, and 40 mg/kg) and intravenous (5 mg/kg) administration. The results indicated that the absolute bioavailability of niazirin in rats was 46.78%, 52.61%, and 48.28%, respectively, and the equations of AUC0−∞ and Cmax at the three doses were y = 177.39x + 99.716 (r2 = 0.9962), and y = 63.152x + 19.531 (r2 = 0.9961), respectively. The study provides a scientific basis for safety evaluation and new clinical research on niazirin.