bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alarming and Calming: Opposing Roles of S100A8/S100A9 Dimers and Tetramers on Monocytes
Authors: Russo Antonella , Schürmann Hendrik , Brandt Matthias , Scholz Katja , Matos Anna Livia L. , Grill David , Revenstorff Julian , Rembrink Maximilian , von Wulffen Meike , Fischer‐Riepe Lena , Hanley Peter J. , Häcker Hans , Prünster Monika , Sánchez‐Madrid Francisco , Hermann Sven , Klotz Luisa , Gerke Volker , Betz Timo , Vogl Thomas , Roth Johannes 
Published: October 2022

AbstractMechanisms keeping leukocytes distant of local inflammatory processes in a resting state despite systemic release of inflammatory triggers are a pivotal requirement for avoidance of overwhelming inflammation but are ill defined. Dimers of the alarmin S100A8/S100A9 activate Toll‐like receptor‐4 (TLR4) but extracellular calcium concentrations induce S100A8/S100A9‐tetramers preventing TLR4‐binding and limiting their inflammatory activity. So far, only antimicrobial functions of released S100A8/S100A9‐tetramers (calprotectin) are described. It is demonstrated that extracellular S100A8/S100A9 tetramers significantly dampen monocyte dynamics as adhesion, migration, and traction force generation in vitro and immigration of monocytes in a cutaneous granuloma model and inflammatory activity in a model of irritant contact dermatitis in vivo. Interestingly, these effects are not mediated by the well‐known binding of S100A8/S100A9‐dimers to TLR‐4 but specifically mediated by S100A8/S100A9‐tetramer interaction with CD69. Thus, the quaternary structure of these S100‐proteins determines distinct and even antagonistic effects mediated by different receptors. As S100A8/S100A9 are released primarily as dimers and subsequently associate to tetramers in the high extracellular calcium milieu, the same molecules promote inflammation locally (S100‐dimer/TLR4) but simultaneously protect the wider environment from overwhelming inflammation (S100‐tetramer/CD69).
Heterogeneity and Memory Effect in the Sluggish Dynamics of Vacancy Defects in Colloidal Disordered Crystals and Their Implications to High‐Entropy Alloys
Authors: Chan Chor‐Hoi , Huo Qingxiao , Kumar Anupam , Shi Yunhong , Hong Huihui , Du Yitong , Ren Simiao , Wong Kin‐Ping , Yip Cho‐Tung 
Published: October 2022

AbstractVacancy dynamics of high‐density 2D colloidal crystals with a polydispersity in particle size are studied experimentally. Heterogeneity in vacancy dynamics is observed. Inert vacancies that hardly hop to other lattice sites and active vacancies that hop frequently between different lattice sites are found within the same samples. The vacancies show high probabilities of first hopping from one lattice site to another neighboring lattice site, then staying at the new site for some time, and later hopping back to the original site in the next hop. This back‐returning hop probability increases monotonically with the increase in packing fraction, up to 83%. This memory effect makes the active vacancies diffuse sluggishly or even get trapped in local regions. Strain‐induced vacancy motion on a distorted lattice is also observed. New glassy properties in the disordered crystals are discovered, including the dynamical heterogeneity, the presence of cooperative rearranging regions, memory effect, etc. Similarities between the colloidal disordered crystals and the high‐entropy alloys (HEAs) are also discussed. Molecular dynamics simulations further support the experimental observations. These results help to understand the microscopic origin of the sluggish dynamics in materials with ordered structures but in random energy landscapes, such as high‐entropy alloys.
Distributed model predictive control‐oriented network decomposition based on full dynamic response
Authors: Wang Jiaorao , Song Chunyue , Zhao Jun , Mo Ziyan , Xu Zuhua 
Published: October 2022

AbstractThis article addresses network decomposition for distributed model predictive control (DMPC), which includes two improvements. First, in the weighted input–output bipartite graph construction of a process network, a new measure called frequency affinity is proposed to characterize the input–output interaction considering the full dynamic response and structural information of a process. Then, in community detection, which is used to decompose the process network, the gap metric is added to quantify stability and the loss of control performance of each subsystem. Through the proposed decomposition, the obtained subsystems can be dynamically well‐decoupled since both transient and steady‐state responses are measured by the frequency affinity. As structural information is considered, the decomposition is consistent with the process physical topology. Furthermore, the utilization of gap metric can facilitate controller design for DMPC. Case studies on a reactor separator process and an air separation process demonstrate the effectiveness of the proposed decomposition method.
An Electrocatalytic Model of the Sulfur Reduction Reaction in Lithium–Sulfur Batteries
Authors: Feng Shuai , Fu Zhong‐Heng , Chen Xiang , Li Bo‐Quan , Peng Hong‐Jie , Yao Nan , Shen Xin , Yu Legeng , Gao Yu‐Chen , Zhang Rui , Zhang Qiang 
Published: October 2022

AbstractLithium–sulfur (Li–S) battery is strongly considered as one of the most promising energy storage systems due to its high theoretical energy density and low cost. However, the sluggish reduction kinetics from Li2S4 to Li2S during discharge hinders the practical application of Li–S batteries. Although various electrocatalysts have been proposed to improve the reaction kinetics, the electrocatalytic mechanism is unclear due to the complexity of sulfur reduction reactions (SRR). It is crucial to understand the electrocatalytic mechanism thoroughly for designing advanced electrocatalysts. Herein an electrocatalytic model is constructed to reveal the chemical mechanism of the SRR in Li–S batteries based on systematical density functional theory calculations, taking heteroatoms‐doped carbon materials as an example. The adsorption energy of LiSy⋅ (y=1, 2, or 3) radicals is used as a key descriptor to predict the reaction pathway, rate‐determining step, and overpotential. A diagram for designing advanced electrocatalysts is accordingly constructed. This work establishes a theoretical model, which is an intelligent integration for probing the complicated SRR mechanisms and designing advanced electrocatalysts for high‐performance Li–S batteries.
Revealing the High Salt Concentration Manipulated Evolution Mechanism on the Lithium Anode in Quasi‐Solid‐State Lithium‐Sulfur Batteries
Authors: Liu Gui‐Xian , Tian Jian‐Xin , Wan Jing , Li Yuan , Shen Zhen‐Zhen , Chen Wan‐Ping , Zhao Yao , Wang Fuyi , Liu Bing , Xin Sen , Guo Yu‐Guo , Wen Rui 
Published: October 2022

AbstractLithium‐sulfur batteries are promising candidates of energy storage devices. Both adjusting salt/solvent ratio and applying quasi‐solid‐state electrolytes are regarded as effective strategies to improve the lithium (Li) anode performance. However, reaction mechanisms and interfacial properties in quasi‐solid‐state lithium‐sulfur (QSSLS) batteries with high salt concentration are not clear. Here we utilize in‐situ characterizations and molecular dynamics simulations to unravel aforesaid mysteries, and construct relationships of electrolyte structure, interfacial behaviour and performance. The generation mechanism, formation process, and mechanical/chemical/electrochemical properties of the anion‐derived solid electrolyte interphase (SEI) are deeply explored. Li deposition uniformity and dissolution reversibility are further tuned by the sustainable SEI. These straightforward evidences and deepgoing studies would guide the electrolyte design and interfacial engineering of QSSLS batteries.
Controlled Diels–Alder “Click” Strategy to Access Mechanically Aligned Main‐Chain Liquid Crystal Networks
Authors: Guillen Campos Jesus , Stricker Friedrich , Clark Kyle D. , Park Minwook , Bailey Sophia J. , Kuenstler Alexa S. , Hayward Ryan C. , Read de Alaniz Javier 
Published: October 2022

AbstractAligned liquid crystal polymers are materials of interest for electronic, optic, biological and soft robotic applications. The manufacturing and processing of these materials have been widely explored with mechanical alignment establishing itself as a preferred method due to its ease of use and widespread applicability. However, the fundamental chemistry behind the required two‐step polymerization for mechanical alignment has limitations in both fabrication and substrate compatibility. In this work we introduce a new protection‐deprotection approach utilizing a two‐stage Diels–Alder cyclopentadiene‐maleimide step‐growth polymerization to enable mild yet efficient, fast, controlled, reproducible and user‐friendly polymerizations, broadening the scope of liquid crystal systems. Thorough characterization of the films by DSC, DMA, POM and WAXD show the successful synthesis of a uniaxially aligned liquid crystal network with thermomechanical actuation abilities.
The Electronic Origin of the Zeta Potential is Supported by the Redox Mechanism on an Aqueous Dispersion of Exfoliated Graphite
Authors: Damasceno João Paulo Vita , Kubota Lauro Tatsuo 
Published: October 2022

AbstractHerein we have proposed that a redox mechanism can produce surface charges and negative zeta potential on an aqueous graphite dispersion. Graphite was kept in contact with a concentrated ammonia aqueous solution, washed, and exfoliated in water, resulting in a dispersion with lyophobic nature. Ammonia treatment did not provide functional groups or nitrogen doping to graphite. Moreover, this material was washed twice before sonication to remove most hydroxide. Therefore, neither functional groups, nitrogen atoms, nor hydroxide excess is responsible for the zeta potential. Kelvin probe force microscopy has shown that the ammonia‐treated and exfoliated graphite has higher Fermi level than the water‐treated material, indicating that the contact between ammonia and graphite promotes redox reactions that provide electrons to graphite. These electrons raise the Fermi level of graphite and generate the negative zeta potential, consequently, they account for the colloidal stability.
Genetic population structure of the critically endangered stellate sturgeon (Acipenser stellatus) in the Black Sea basin: Implications for conservation
Authors: Holostenco Daniela Nicoleta , Ciorpac Mitică , Firidin Șirin , Eroglu Oguzhan , Memiș Devrim , Paraschiv Marian , Honț Ștefan , Iani Marian , Tošić Katarina , Taflan Elena , Porea Daniela , Kersten Petra , Aydın İlhan , Suciu Radu , Gessner Jörn , Rîșnoveanu Geta , Kohlmann Klaus 
Published: October 2022

Abstract

Stellate sturgeon (Acipenser stellatus) is a species of great conservation concern throughout its range. Over the past century, it has experienced a dramatic decline in abundance and distribution in the Black Sea basin. Information regarding the genetic structure of the species is very limited in the region, despite its crucial importance for developing adequate management plans for the species’ conservation and recovery.
Samples from 163 A. stellatus were analysed using mitochondrial and microsatellite DNA markers to investigate the species’ genetic characteristics in the north‐western and southern Black Sea.
Both genetic markers revealed high genetic diversity (153 haplotypes and 264 alleles) and low genetic differentiation of marine and freshwater catches. The north‐western Black Sea population is undergoing a slight demographic expansion after a bottleneck event induced by overfishing and dam constructions.
The genetic population structure indicates a single genetic cluster in the north‐western Black Sea region and signs of admixture of two genetic clusters in the southern region. It also provides the first evidence for a remnant reproductive stellate sturgeon micro‐population in rivers of Turkey and Georgia.
A sturgeon fishing ban and stocking activities carried out during the last decades, largely without any prior genetic assessment of the sturgeon populations, added little conservation value. Outreach initiatives and urgent actions are required to foster the recovery of this Critically Endangered species in the region.
Reconstruction of the connectivity of the rivers and the enhancement of habitats and spawning grounds are beneficial to all sturgeon species. An ex‐situ conservation programme for Turkish rivers which flow into the Black Sea would be beneficial to help conserve the genetic resources until the habitats and migration routes become functional. Moreover, genetic screening and recruitment programmes must be functional for all rivers flowing into the Black Sea.
NRF2, a crucial modulator of skin cells protection against vitiligo, psoriasis, and cancer
Authors: Panieri Emiliano , Telkoparan‐Akillilar Pelin , Saso Luciano 
Published: October 2022

AbstractThe skin represents a physical barrier between the organism and the environment that has evolved to confer protection against biological, chemical, and physical insults. The inner layer, known as dermis, is constituted by connective tissue and different types of immune cells whereas the outer layer, the epidermis, is composed by different layers of keratinocytes and an abundant number of melanocytes, localized in the stratum basale of the epidermis. Oxidative stress is a common alteration of inflammatory skin disorders such as vitiligo, dermatitis, or psoriasis but can also play a causal role in skin carcinogenesis and tumor progression. Nuclear factor (erythroid‐derived 2)‐like 2 (NRF2) has emerged as a crucial regulator of cell defense mechanisms activating complex transcriptional programs that facilitate reactive oxygen species detoxification, repair oxidative damage and prevent xenobiotic‐induced toxicity. Accumulating evidence suggests that the keratinocytes, melanocytes, and other skin cell types express high levels of NRF2, which is known to play a pivotal role in the skin homeostasis, differentiation, and metabolism during normal and pathologic conditions. In the present review, we summarize the current evidence linking NRF2 to skin pathophysiology and we discuss some recent modulators of NRF2 activity that have shown a therapeutic efficacy in skin protection against tumor initiation and common inflammatory skin conditions such as vitiligo or psoriasis, with a particular emphasis on natural compounds.
The Transformation of Inorganic to Organic Carbonates: Chasing for Reaction Pathways in Mechanochemistry
Authors: Sander Miriam , Fabig Sven , Borchardt Lars 
Published: October 2022

AbstractMechanochemical reactions are solvent‐free alternatives to solution‐based syntheses enabling even conventionally impossible transformations. Their reaction pathways, however, usually remain unexplored within the heavily vibrating, dense milling vessels. Here, we showcase how the green organic solvent diethyl carbonate is synthesized mechanochemically from inorganic alkali carbonates and how the complementary combination of milling parameter studies, synchrotron X‐ray diffraction real time monitoring, and quantum chemical calculations reveal the underlying reaction pathways. With this, reaction intermediates are identified, and chemical concepts of solution‐chemistry are challenged or corroborated for mechanochemistry.
New exponentiated generalized censored regression models: Monte Carlo simulation and application
Authors: Yenilmez İsmail , Mert Kantar Yeliz 
Published: October 2022

SummaryThe standard maximum likelihood estimator of censored regression models is constructed under the assumption of the normal distribution and it yields inefficient results in case of non‐normal asymmetric data or/and presence of outlier(s). In the analysis of censored real‐life data encountered in many disciplines such as finance, medical sciences, and engineering, there is often a violation of the assumption of normality. In this paper, we propose a generalization of the censored normal regression based on the extended normal distribution (EGT). The generalized model, with two additional shape parameters as a and b, includes classical Tobit model for a = 0 and b = 0 and Alpha‐Power Tobit model for a = 1. It provides very flexible estimation in cases symmetric‐asymmetric data and especially in case non‐normal asymmetric data or/and presence of outlier(s). In addition, Lehmann type II‐G Tobit model (LTII‐GT) is also proposed for b = 1 as a special case of generalization. The performance of proposed two new generalizations of Tobit, namely EGT and LTII‐GT has been compared with Tobit, Alpha‐Power Tobit, and classical estimators by means of a comprehensive Monte Carlo simulation study. The performance of proposed models' ML estimators is illustrated on a real data set. The superiority of the proposed estimators is shown.
Comparative analysis of reflected impedance between fractional‐order and integer‐order wireless power transfer systems
Authors: Zhao Xiaoguang , Yang Jingjing , Xie Wenyan , Shu Xujian , Jiang Yanwei 
Published: October 2022

AbstractIn a magnetic coupled wireless power transfer (WPT) system, reflected impedance is the equivalent impedance reflected from receiver to transmitter, playing an important role in transfer efficiency. However, the study on the reflected impedance of fractional‐order magnetic coupled WPT systems is lacking. Therefore, this paper analyzes the reflected impedance characteristics of fractional‐order WPT systems. Based on circuit theory, comparative investigations about the reflected impedance of fractional‐order and integer‐order WPT systems are performed. It is demonstrated that the reflected impedance of the fractional‐order WPT system has a stronger anti‐interference ability against the shift of coupling coefficient and resonant frequency than the integer‐order WPT system. The experimental results verify the correctness of the theoretical analysis.
Diabetes induced by checkpoint inhibition in nonobese diabetic mice can be prevented or reversed by a JAK1/JAK2 inhibitor
Authors: Ge Tingting , Phung Amber‐Lee , Jhala Gaurang , Trivedi Prerak , Principe Nicola , De George David J , Pappas Evan G , Litwak Sara , Sanz‐Villanueva Laura , Catterall Tara , Fynch Stacey , Boon Louis , Kay Thomas W , Chee Jonathan , Krishnamurthy Balasubramanian , Thomas Helen E 
Published: October 2022

AbstractObjectivesImmune checkpoint inhibitors have achieved clinical success in cancer treatment, but this treatment causes immune‐related adverse events, including type 1 diabetes (T1D). Our aim was to test whether a JAK1/JAK2 inhibitor, effective at treating spontaneous autoimmune diabetes in nonobese diabetic (NOD) mice, can prevent diabetes secondary to PD‐L1 blockade.MethodsAnti‐PD‐L1 antibody was injected into NOD mice to induce diabetes, and JAK1/JAK2 inhibitor LN3103801 was administered by oral gavage to prevent diabetes. Flow cytometry was used to study T cells and beta cells. Mesothelioma cells were inoculated into BALB/c mice to induce a transplantable tumour model.ResultsAnti‐PD‐L1‐induced diabetes was associated with increased immune cell infiltration in the islets and upregulated MHC class I on islet cells. Anti‐PD‐L1 administration significantly increased islet T cell proliferation and islet‐specific CD8+ T cell numbers in peripheral lymphoid organs. JAK1/JAK2 inhibitor treatment blocked IFNγ‐mediated MHC class I upregulation on beta cells and T cell proliferation mediated by cytokines that use the common γ chain receptor. As a result, anti‐PD‐L1‐induced diabetes was prevented by JAK1/JAK2 inhibitor administered before or after checkpoint inhibitor therapy. Diabetes was also reversed when the JAK1/JAK2 inhibitor was administered after the onset of anti‐PD‐L1‐induced hyperglycaemia. Furthermore, JAK1/JAK2 inhibitor intervention after checkpoint inhibitors did not reverse or abrogate the antitumour effects in a transplantable tumour model.ConclusionA JAK1/JAK2 inhibitor can prevent and reverse anti‐PD‐L1‐induced diabetes by blocking IFNγ and γc cytokine activities. Our study provides preclinical validation of JAK1/JAK2 inhibitor use in checkpoint inhibitor‐induced diabetes.
Integrating satellite altimeter data and geomorphic in‐stream flow tool to assess reach average hydraulic habitat of the Ganga River dolphin
Authors: Sonkar Gaurav Kailash , Gaurav Kumar , Rai Atul Kumar , Taigor Sitaram , Beg Zafar 
Published: October 2022

AbstractThe Ganga River ecosystem is under severe anthropogenic stress. Flow regulations through structural barriers alter the geomorphic and hydraulic geometry of riverine habitats. Determining the ecological health of river habitats under the contemporary modification is detrimental to its restoration and management. This study evaluates reach averaged hydraulic habitat of the endangered Ganga River dolphin (Platanista gangetica) in a stretch between Bijnor and Narora barrages. We consider an optimal minimum flow depth as the determining factor of habitat suitability. Field measurement of the hydraulic geometry and flow characteristics show that the optimal flow depth is available in the study reach during the monsoon period, while in the pre‐monsoon, the minimum depth is present only in the reach upstream to Narora barrage. We use a geomorphic instream flow tool (GIFT) and satellite altimeter water level data to simulate reach averaged hydraulic habitat in varying flow conditions in area upstream of Narora barrage. We observe that to maintain the minimum flow depth which supports the dolphin habitat in the study reach, an optimal discharge of about
is essential. Furthermore, we develop a water‐level (altimeter) and discharge (simulated from GIFT) rating curve for the study reach. It can be used to get a first‐order estimate of discharge for a given water level or vice versa. This study indicates that the altimetry datasets are good precursors for estimating averaged hydraulic habitat of rivers in the data‐scarce regions. The application of altimeter data can be a boon in the effective management of river habitat health over a reach scale.
Scorpiands: Quinquedentate Ligands that Couple the Rigidity of Cyclam and the Flexibility of a Coordinating Side Chain
Authors: Fabbrizzi Luigi 
Published: October 2022

AbstractThis review tells the story of scorpiands, polyamine ligands which, when specifically stimulated, act as scorpions, and of their metal complexes, scorpiates. Scorpiands consist of a tetramine macrocycle (typically cyclam) capable of firmly including a transition metal and of a side chain ending with a nitrogen containing coordinating group: under unperturbed conditions the coordinating group is bound to the metal (ON), but on addition of acid the nitrogen is protonated and comes off the metal (OFF). Alternating acid/base addition makes the side chain move imitating the tail of a scorpion that bites a prey firmly immobilized by the claws. Occurrence of the ON‐OFF motion is monitored by the colour change of the scorpiate complexes associated to the change of coordination or by fluorescence quenching/restoring when a light‐emitting substituent is linked to the side arm. Scorpiate complexes can be considered optical molecular switches and, from a different standpoint, molecular machines able to convert chemical energy into mechanical work.