bluuebunny/crossref_metadata_2025_split huggingface dataset:
An adaptive model predictive control strategy for a class of discrete‐time linear systems with parametric uncertainty
Authors: Hu Yingjie , Gou Linfeng , Fan Ding , Iu Herbert Ho‐Ching , Fernando Tyrone , Zhang Xinan 
Published: October 2021

SummaryIn this study, an adaptive model predictive control (MPC) strategy is proposed for a class of discrete‐time linear systems with parametric uncertainty. In the presented adaptive MPC, an updating law is firstly designed to update the estimated parameters online. By utilizing the estimated parameters, a standard MPC optimization problem for unconstrained systems is established. Then, to deal with constrained systems, the min–max MPC technique is developed under the set‐based approach for the estimated parameters. Furthermore, it is shown theoretically that the recursive feasibility and closed‐loop stability can be rigorously proved, respectively. Finally, numerical simulations and comparative analysis are presented to illustrate the superiority of the proposed algorithms in control performance.
Access to Triazolopiperidine Derivatives via Copper(I)‐Catalyzed [3+2] Cycloaddition/Alkenyl C−N Coupling Tandem Reactions
Authors: Xiao Guorong , Wu Kaifu , Zhou Wei , Cai Qian 
Published: October 2021

AbstractA copper‐catalyzed [3+2] cylcoaddition/ alkenyl C−N coupling tandem reaction was demonstrated. It provided a method for the formation of triazolopiperidine skeletons.magnified image
Detektion und Visualisierung der Pflanzen‐Pathogen‐Response durch Nah‐Infrarot‐fluoreszente Polyphenolsensoren
Authors: Nißler Robert , Müller Andrea T. , Dohrman Frederike , Kurth Larissa , Li Han , Cosio Eric G. , Flavel Benjamin S. , Giraldo Juan Pablo , Mithöfer Axel , Kruss Sebastian 
Published: October 2021

AbstractPflanzen nutzen Sekundärmetabolite, wie Polyphenole, zur chemischen Verteidigung gegenüber Pathogenen und Herbivoren. Trotz ihrer wichtigen Rolle bei der Reaktion von Pflanzen auf Pathogene bleibt die Detektion von Polyphenolen in komplexen Pflanzengeweben eine Herausforderung. Hier berichten wir vom Aufbau molekularer Sensoren zur Visualisierung pflanzlicher Polyphenole, basierend auf Nah‐Infrarot (NIR)‐fluoreszenten Kohlenstoff‐Nanoröhren (SWCNTs). Dabei identifizierten wir Oberflächenmodifikationen mit Polyethylenglycol‐Phospholipiden, die (6,5)‐SWCNTs sensitiv (Kd=90 nM) gegenüber pflanzlichen Polyphenolen machen und die Emission (ca. 1000 nm) quenchen und bathochrom (bis zu 20 nm) verschieben. Diese Sensoren detektieren Unterschiede im Gesamtphenolgehalt nach Herbivor‐ oder Pathogenstimulus im Nutzpflanzensystem und in Blattextrakten. Ferner erlauben sie die Bildgebung der Pathogen‐induzierten Polyphenolausschüttung (24 h). Dieser Ansatz ermöglicht die In‐situ‐Visualisierung und Charakterisierung der chemischen Pflanzenverteidigung in Echtzeit und ebnet den Weg zur Phänotyp‐basierten Optimierung der Polyphenolsekretion.
Divergent Reactivity of an Isolable Nickelacyclobutane
Authors: Sansores‐Paredes María L. G. , van der Voort Storm , Lutz Martin , Moret Marc‐Etienne 
Published: October 2021

AbstractNickelacyclobutanes are mostly invoked as reactive intermediates in the reaction of nickel carbenes and olefins to yield cyclopropanes. Nevertheless, early work suggested that other decomposition routes such as β‐hydride elimination and even metathesis could be accessible. Herein, we report the isolation and characterization of a stable pentacoordinated nickelacyclobutane incorporated in a pincer complex. The coordination of different coligands to the nickelacyclobutane determines its selective decomposition along cyclopropanation, metathesis or apparent β‐hydride elimination pathways. DFT calculations shed light on the mechanism of these different pathways.
Promoting CO2 Electroreduction Kinetics on Atomically Dispersed Monovalent ZnI Sites by Rationally Engineering Proton‐Feeding Centers
Authors: Chen Jiayi , Li Zhongjian , Wang Xinyue , Sang Xiahan , Zheng Sixing , Liu Shoujie , Yang Bin , Zhang Qinghua , Lei Lecheng , Dai Liming , Hou Yang 
Published: October 2021

AbstractElectrocatalytic reduction of CO2 (CO2RR) to value‐added chemicals is of great significance for CO2 utilization, however the CO2RR process involving multi‐electron and proton transfer is greatly limited by poor selectivity and low yield. Herein, We have developed an atomically dispersed monovalent zinc catalyst anchored on nitrogenated carbon nanosheets (Zn/NC NSs). Benefiting from the unique coordination environment and atomic dispersion, the Zn/NC NSs exhibit a superior CO2RR performance, featuring a high current density up to 50 mA cm−2 with an outstanding CO Faradaic efficiency of ≈95 %. The center ZnI atom coordinated with three N atoms and one N atom that bridges over two adjacent graphitic edges (Zn‐N3+1) is identified as the catalytically active site. Experimental results reveal that the twisted Zn‐N3+1 structure accelerates CO2 activation and protonation in the rate‐determining step of *CO2 to *COOH, while theoretical calculations elucidate that atomically dispersed Zn‐N3+1 moieties decrease the potential barriers for intermediate COOH* formation, promoting the proton‐coupled CO2RR kinetics and boosting the overall catalytic performance.
Preparation of galactomannan based viscosifiers using bifunctional crosslinker: Case studies using 2‐(chloromethyl)oxirane
Authors: Dangi Deepika , Sharma Pradeep , Kumar Vineet 
Published: October 2021

AbstractGalactomannans are functionalized biopolymers and possess diverse applications in various fields due to a wide range of inherent properties such as thickening, emulsifying, binding, gelling, film forming, and so on. In the present study, highly viscous solutions were obtained by the treatment of 1,2 galactomannan (Guar gum) with 2‐(chloromethyl)oxirane leading to the formation of new 1,3‐diethereal linkages of propanetriol (ROCH2CHOHCH2OR) between the galactomannans backbone. The reaction was studied by varying the amount of 2‐(chloromethyl)oxirane in aqueous methanol (methanol: water; 80:20) under alkaline conditions. The 0.5% solution of modified cross‐linked galactomannan (MGM) using the least amount of 2‐(chloromethyl)oxirane (0.06 × 10−3 mol) formed a highly viscous (1031 cps) solution in comparison to native GM (440 cps). Intriguingly, the decreasing amount of 2‐(chloromethyl)oxirane led to significant improvement in rheological properties whereas a gradual increase resulted in insoluble products. These observations have so far not been reported for galactomannans. The formation of new 1,3‐diethereal linkages (ROCH2CHOHCH2OR) introduced between the galactomannan backbone was analyzed by NMR (1D and 2D) and FT‐IR. Additionally, thermal analysis (TGA and DSC), swelling behavior, the effect of salt, acid, and alkali on MGM were studied. The modified products were resistant to acid, salt, and alkali and can be used for diverse end‐use applications.
Multi‐response optimization of shrinkage, clamp force, and part weight in simulated injection molding process of a dialysis micro‐filter
Authors: Shiroud Heidari Behzad , Bappoo Nikhilesh , Kelsey Lachlan J. , Davachi Seyed Mohammad , Doyle Barry 
Published: October 2021

AbstractAir traps play a critical role in controlling air bubbles and clots in hemodialysis systems. The quality of the micro‐filter, an injection molded part inside the air trap, influence the potential risk of passing emboli to the patient, which can result in serious complications. The aim of this work is optimizing the simulated injection molding process of a dialysis micro‐filter based on minimizing the shrinkage, part weight, and clamping force to maximize the part quality. First, micro‐computed tomography is used to diagnose defects of a typical micro‐filter due to the molding process. Next, the injection molding of micro‐filter is simulated via Autodesk Moldflow Adviser (AMA) to obtain the responses, and the interactions of the process factors are then determined by central composite design (CCD). The injection time is the most significant influence on the responses. Multi‐response optimization results for the equal weights of the responses show the minimum shrinkage, part weight, clamp force of 8.84%, 0.744 g and 0.625 tonne, respectively, with composite desirability of 0.61. Finally, the predicted values using regression models are successfully validated via AMA, offering the optimal process settings to produce high quality dialysis micro‐filter to reduce the risk of passing emboli to patients.
Observer‐based distributed control of large‐scale systems under gossip communication protocol
Authors: Yu Tao , Yu Lanlin , Xiong Junlin 
Published: October 2021

AbstractThis note is concerned with the observer‐based distributed control problem of large‐scale systems under gossip communication protocol. Random binary variables that satisfy a certain conditional probability distribution are introduced to model gossip communication protocol. In such a protocol, each subcontroller receives information from only one randomly chosen neighbor at each instant. Novel observer‐based distributed controllers are proposed for large‐scale systems. Based on Lyapunov stability theory and stochastic matrix manipulations, sufficient conditions are established such that the closed‐loop system is exponentially mean square stable and the prescribed‐gain performance is satisfied. Then these conditions are transformed into linear matrix inequalities. The observer gains and controller gains can be obtained by solving a set of linear matrix inequalities. Finally, two numerical examples are used to illustrate the effectiveness of the proposed theoretical results.
Cardamonin Presents in Vivo Activity against Schistosoma mansoni and Inhibits Potato Apyrase
Authors: de Carvalho Lara Soares Aleixo , Silva Lívia Mara , de Souza Vinícius Carius , da Silva Marcos Paulo Nascimento , Capriles Priscila V. S. Z. , de Faria Pinto Priscila , de Moraes Josué , Da Silva Filho Ademar Alves 
Published: October 2021

AbstractSchistosomiasis, a neglected tropical disease caused by Schistosoma species, harms over 250 million people in several countries. The treatment is achieved with only one drug, praziquantel. Cardamonin, a natural chalcone with in vitro schistosomicidal activity, has not been in vivo evaluated against Schistosoma. In this work, we evaluated the in vivo schistosomicidal activities of cardamonin against Schistosoma mansoni worms and conducted enzymatic apyrase inhibition assay, as well as molecular docking analysis of cardamonin against potato apyrase, S. mansoni NTPDase 1 and S. mansoni NTPDase 2. In a mouse model of schistosomiasis, the oral treatment with cardamonin (400 mg/kg) showed efficacy against S. mansoni, decreasing the total worm load in 46.8 % and reducing in 54.5 % the number of eggs in mice. Cardamonin achieved a significant inhibition of the apyrase activity and the three‐dimensional structure of the potato apyrase, obtained by homology modeling, showed that cardamonin may interact mainly through hydrogen bonds. Molecular docking studies corroborate with the action of cardamonin in binding and inhibiting both potato apyrase and S. mansoni NTPDases.
Visible‐Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases
Authors: Peters Aileen , Herrmann Eric , Cornelissen Nicolas V. , Klöcker Nils , Kümmel Daniel , Rentmeister Andrea 
Published: October 2021

AbstractMethylation and demethylation of DNA, RNA and proteins constitutes a major regulatory mechanism in epigenetic processes. Investigations would benefit from the ability to install photo‐cleavable groups at methyltransferase target sites that block interactions with reader proteins until removed by non‐damaging light in the visible spectrum. Engineered methionine adenosyltransferases (MATs) have been exploited in cascade reactions with methyltransferases (MTases) to modify biomolecules with non‐natural groups, including first evidence for accepting photo‐cleavable groups. We show that an engineered MAT from Methanocaldococcus jannaschii (PC‐MjMAT) is 308‐fold more efficient at converting ortho‐nitrobenzyl‐(ONB)‐homocysteine than the wildtype enzyme. PC‐MjMAT is active over a broad range of temperatures and compatible with MTases from mesophilic organisms. We solved the crystal structures of wildtype and PC‐MjMAT in complex with AdoONB and a red‐shifted derivative thereof. These structures reveal that aromatic stacking interactions within the ligands are key to accommodating the photocaging groups in PC‐MjMAT. The enlargement of the binding pocket eliminates steric clashes to enable AdoMet analogue binding. Importantly, PC‐MjMAT exhibits remarkable activity on methionine analogues with red‐shifted ONB‐derivatives enabling photo‐deprotection of modified DNA by visible light.
Utilizing NPWT improving skin graft taking in reconstruction for extended breast skin defects following mastectomy
Authors: Kuo Chia‐Yu , Kan Jung‐Yu , Kao Chieh‐Ni , Ou‐Yang Fu , Wu Cheng‐Che , Shiau Jun‐ping , Li Chung‐Liang , Hou Ming‐Feng , Huang Shu‐Hung 
Published: October 2021

AbstractNPWT fulfill graft taking in complex breast wounds.
Fast Detection of Entacapone by a Lanthanide–Organic Framework with Rhombic Channels
Authors: Min Hui , Wu Shuangyan , Han Zongsu , Chen Zhonghang , Sun Tiankai , Shi Wei , Cheng Peng 
Published: October 2021

AbstractEntacapone (ENT) is a powerful catechol‐O‐methyl transferase inhibitor that is used for the diagnosis and treatment of Parkinson's syndrome, but the amount used must be well controlled to avoid overtreatment and side effect. Fast and selective detection of ENT needs well‐matched energy levels and well‐designed sensor‐ENT interaction which is highly challenging. In this work, a water stable europium‐based metal‐organic framework (Eu‐TDA) was synthesized to detect ENT by luminescence with excellent reusability and selectivity in the presence of main coexisting and interference species of plasma with a limit of detection of 5.01 μM. The experimental results showed that the luminescence of Eu‐TDA can be effectively quenched by ENT via well‐designed photoinduced electron transfer mechanism and internal filtration effect mechanism in the system.
Computational Insights into the Role of External and Local Electric Fields in Macrocyclic Chemical and Biological Systems
Authors: Mukherjee Anagh , Ghule Siddharth , Vanka Kumar 
Published: October 2021

AbstractThe investigation of the role of the electric field in systems of widespread interest employing computational techniques is an emerging area of research. The outcome of applying an oriented external electric field (OEEF) on the geometric and electronic properties of the chemically unique π‐conjugated cyclic carbon ring compounds has been explored with density functional theory (DFT). Distinct changes in the structural and electronic features of such ring compounds are observed upon the application of OEEFs. Importantly, the calculations indicate that a mixed aliphatic‐aromatic conjugated ring converts from a singlet to a triplet after the application of an OEEF, suggesting potential applications in optoelectronics for such molecules, without the need for photochemically induced change in the spin state. Furthermore, the influence of built‐in local electric fields (LEFs) present in naturally occurring macrocyclic systems such as valinomycin has also been explored. Static andab initiomolecular dynamics (AIMD) calculations indicate that LEFs are the primary driving factor in determining the energetically favoured position of counter anions such as chloride (Cl−) in the potassium (K+) and sodium (Na+) coordinated valinomycin macrocycle structures: they exist inside the cage in the case of K+sequestration by valinomycin and outside for Na+. This divergence has been proposed to be the determining factor for the selectivity of the valinomycin macrocycle for binding a K+cation over Na+.
Compartmentalized multicellular crosstalk in lymph nodes coordinates the generation of potent cellular and humoral immune responses
Authors: Poirot Justine , Medvedovic Jasna , Trichot Coline , Soumelis Vassili 
Published: October 2021

AbstractDistributed throughout the body, lymph nodes (LNs) constitute an important crossroad where resident and migratory immune cells interact to initiate antigen‐specific immune responses supported by a dynamic 3‐dimensional network of stromal cells, that is, endothelial cells and fibroblastic reticular cells (FRCs). LNs are organized into four major subanatomically separated compartments: the subcapsular sinus (SSC), the paracortex, the cortex, and the medulla. Each compartment is underpinned by particular FRC subsets that physically support LN architecture and delineate functional immune niches by appropriately providing environmental cues, nutrients, and survival factors to the immune cell subsets they interact with. In this review, we discuss how FRCs drive the structural and functional organization of each compartment to give rise to prosperous interactions and coordinate immune cell activities. We also discuss how reciprocal communication makes FRCs and immune cells perfect compatible partners for the generation of potent cellular and humoral immune responses.
Metabolomic and proteomic characterization of sng and pain phenotypes in fibromyalgia
Authors: Hsu Wei‐Hsiang , Han Der‐Sheng , Ku Wei‐Chi , Chao Yen‐Ming , Chen Chih‐Cheng , Lin Yun‐Lian 
Published: October 2021

AbstractBackgroundFibromyalgia (FM) is characterized by chronic widespread pain. Its pathophysiological mechanisms remain poorly understood, and effective diagnosis and treatments are lacking. This study aimed to identify significantly changed biosignatures in FM and propose a novel classification for FM based on pain and soreness (sng) symptoms.MethodsUrine and serum samples from 30 FM patients and 25 controls underwent metabolomic and proteomic profiling.ResultsCompared with controls, FM patients showed significant differential expression of three metabolites in urine and five metabolites and eight proteins in serum. Of them, DETP, 4‐guanidinobutanoic acid, SM(d18:1/18:0), PC(20:1(11Z)/18:0), S100A7, SERPINB3, galectin‐7 and LYVE1 were first reported as potential biomarkers for FM. Furthermore, lactate, 2‐methylmaleate and cotinine in urine and lactate, SM(d18:1/25:1), SM(d18:1/26:1) and prostaglandin D2 (PGD2) and PCYOX1, ITIH4, PFN1, LRG1, C8G, C8A, CP, CDH5 and DBH in serum could differentiate pain‐ (PG) and sng‐dominant groups (SG). Lactate, 2‐methylmaleate, cotinine, PCYOX1, ITIH4, PFN1 and DBH have a higher level in SG. SM(d18:1/25:1), SM(d18:1/26:1), PGD2, LRG1, C8G, C8A, CP and CDH5 in SG are lower than PG. The omics results indicated disordered free radical scavenging, and lipid and amino acid metabolism networks and resulting NF‐κB‐dependent cytokine generation in FM. Lactate level was altered simultaneously in urine and serum and significantly higher in sng‐dominant patients than others.ConclusionsIn this study, we identified potential biomarkers from FM patients. The selected biomarkers could discriminate sng and pain phenotypes in FM patients. These results could help elucidate the underlying pathological mechanisms for more effective diagnosis and therapy for FM.
Source parameters and scaling relations for small to moderate earthquakes in theIndo‐BurmaRanges,North‐east India, and its seismotectonic implications
Authors: Bora Dipok K. , Mukherjee Pousali , Singh Ajay P. , Borah Kajaljyoti , Biswas Rajib 
Published: October 2021

The Indo‐Burma Ranges (IBRs) and its surrounding North‐east India is one of the seismotectonically active subduction systems in the world, where the Indian Plate is subducting beneath the Sunda Plate. This has resulted in major earthquakes in the past. In this study, spectral analysis of S‐wave has been used to investigate the source parameters for local earthquakes (3.3 ≤ MD ≤ 5.8) exclusively in the Indo‐Burma region fusing a network of six stations by adopting the Brune model. The corner frequencies (fc) of the events are varied from 0.6 to 3.2 Hz. The estimated source parameters lie in the range from 9 × 1013–3.7 × 1017 N m, 0.2–35.1 MPa, 410–1,956.4 m, 0.002–1.196 m, and 2.9–13.5 Hz for seismic momentM0, stress drop (Δσ), source radius, source dislocation, and maximum cut‐off frequency (fmax), respectively. The scaling relation betweenM0andfchas been derived asM0 = 1.622 × 1016 fc−5.298. The scaling relations ofM0withfmaxand stress drop have also been derived. The high‐stress drops (>10 MPa) were at a depth zone of ~40–60 km, while the stress drops were less than 4.0 MPa beyond this depth, indicating the shallow and deeper portion of the lithosphere to be relatively brittle. We postulate that this could occur due to a complex detachment process as a result of slab tearing in the region. The upper boundary of stress drop was found to have an increasing trend with the focal depth of the earthquakes. The empirical relations betweenM0 − MDandMW − MDhave also been derived for the IBRs. The estimated source parameters and scaling relations will be useful in estimations of lithospheric strength, simulation of strong ground motion in the IBRs, and calibrating the coefficient of the local earthquakes in the IBR and its surrounding region.
The syndemic burden of HIV/AIDS in Africa amidst the COVID‐19 pandemic
Authors: Uwishema Olivier , Taylor Charles , Lawal Lukman , Hamiidah Nakyanzi , Robert Isoke , Nasir Abdulrasheed , Chalhoub Elie , Sun Jeffrey , Akin Burak T. , Adanur Irem , Mwazighe Rehema M. , Onyeaka Helen 
Published: October 2021

AbstractIntroduction: The human immunodeficiency virus/acquired immune deficiency syndrome (HIV/AIDS) has long affected millions of individuals across the globe. Historically, the prevalence of this disease is particularly noted within the African continent. Before the coronavirus disease 2019 (COVID‐19) pandemic, many African countries struggled to effectively manage the increasing burden associated with HIV/AIDS. There is now a need to reassess this in a COVID‐19 pandemic context so that the impact of COVID‐19 on HIV/AIDS healthcare within Africa can be adequately evaluated.Methods: Data collection was performed on the PubMed, Ovid MEDLINE and Embase bibliographical databases with a predefined search strategy. Searches were performed in blind duplicate and all articles considering COVID‐19 and HIV/AIDS within African healthcare were considered.Results: The COVID‐19 pandemic has severely exacerbated the many issues surrounding HIV/AIDS care within many African countries. These impacts are noticeable in medical, psychological, and socio‐political contexts.Conclusions: Before efforts are made to improve the provision of HIV/AIDS and COVID‐19 care within Africa, it is important that this issue is brought to the attention of the scientific and clinical community so that the continent can receive the necessary support and aid.