bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Vivo Induction of Regulatory T Cells Via CTLA‐4 Signaling Peptide to Control Autoimmune Encephalomyelitis and Prevent Disease Relapse
Authors: Kim Gil‐Ran , Kim Won‐Ju , Lim Sangho , Lee Hong‐Gyun , Koo Ja‐Hyun , Nam Kyung‐Ho , Kim Sung‐Min , Park Sung‐Dong , Choi Je‐Min 
Published: May 2021

AbstractRegulatory T cells play a key role in immune tolerance to self‐antigens, thereby preventing autoimmune diseases. However, no drugs targeting Treg cells have been approved for clinical trials yet. Here, a chimeric peptide is generated by conjugation of the cytoplasmic domain of CTLA‐4 (ctCTLA‐4) with dNP2 for intracellular delivery, dNP2‐ctCTLA‐4, and evaluated Foxp3 expression during Th0, Th1, Treg, and Th17 differentiation dependent on TGF‐β. The lysine motif of ctCTLA‐4, not tyrosine motif, is required for Foxp3 expression for Treg induction and amelioration of experimental autoimmune encephalomyelitis (EAE). Transcriptome analysis reveals that dNP2‐ctCTLA‐4‐treated T cells express Treg transcriptomic patterns with properties of suppressive functions. In addition, the molecular interaction between the lysine motif of ctCTLA‐4 and PKC‐η is critical for Foxp3 expression. Although both CTLA‐4‐Ig and dNP2‐ctCTLA‐4 treatment in vivo ameliorated EAE progression, only dNP2‐ctCTLA‐4 requires Treg cells for inhibition of disease progression and prevention of relapse. Furthermore, the CTLA‐4 signaling peptide is able to induce human Tregs in vitro and in vivo as well as from peripheral blood mononuclear cells (PBMCs) of multiple sclerosis patients. These results collectively suggest that the chimeric CTLA‐4 signaling peptide can be used for successful induction of regulatory T cells in vivo to control autoimmune diseases, such as multiple sclerosis.
Jahn–Teller Distortion Induced Mn2+‐Rich Cathode Enables Optimal Flexible Aqueous High‐Voltage Zn‐Mn Batteries
Authors: Dai Lixin , Wang Yan , Sun Lu , Ding Yi , Yao Yuanqing , Yao Lide , Drewett Nicholas E. , Zhang Wei , Tang Jun , Zheng Weitao 
Published: May 2021

AbstractAlthough one of the most promising aqueous batteries, all Zn‐Mn systems suffer from Zn dendrites and the low‐capacity Mn4+/Mn3+ process (readily leading to the occurrence of Jahn–Teller distortion, which in turn causes structural collapse and voltage/capacity fading). Here, the Mn3+ reconstruction and disproportionation are exploited to prepare the stable, Mn2+‐rich manganese oxides on carbon‐cloth (CMOs) in a discharged state through an inverted design, which promotes reversible Mn2+/Mn4+ kinetics and mitigates oxygen‐related redox activity. Such a 1.65 V Mn2+‐rich cathode enable constructing a 2.2 V Zn‐Mn battery, providing a high area capacity of 4.16 mA h cm–2 (25 mA h cm–2 for 10 mL electrolyte) and superior 4000‐cycle stability. Moreover, a flexible hybrid 2.7 V Zn‐Mn battery is constructed using 2‐pH hydrogel electrolytes to demonstrate excellent practicality and stability. A further insight has been gained to the commercial application of aqueous energy storage devices toward low‐cost, high safety, and excellent energy density.
Halide Perovskite Materials for Photo(Electro)Chemical Applications: Dimensionality, Heterojunction, and Performance
Authors: Pan Shuang , Li Jun , Wen Zhangchuan , Lu Rong , Zhang Qingcheng , Jin Huile , Zhang Lijie , Chen Yihuang , Wang Shun 
Published: May 2021

AbstractIn recent years, halide perovskite materials have sparked intensive research, including their burgeoning development in the field of photo(electro)chemical catalysis. Halide perovskite materials are based on abundant and low‐cost elements with a rich structural composition and a variety of molecular and morphological dimensionalities. They possess versatile advantages over other photo(electro)catalytic materials owing to the facile adjustment of electronic properties via molecular and compositional engineering. Thus, the rapid development of perovskite photo(electro)catalysts in the past 4–5 years has opened up new opportunities for diverse photo(electro)chemical applications, ranging from photocatalytic organic reactions (e.g., chemical transformations, photopolymerization, and degradation) to solar‐to‐chemical fuel conversion (e.g., water splitting and CO2 reduction). This review aims to provide an up‐to‐date discussion on recent applications of halide perovskite photo(electro)catalytic materials, emphasizing their crystal and morphological dimensionality, synthetic methodologies, heterojunction structures, and fundamental structure‐activity relationships. Furthermore, current challenges and future research directions for the rational design of halide perovskite materials to boost their overall catalytic performance and stability are identified and envisaged respectively.
Determining the Criticality of Li‐Excess for Disordered‐Rocksalt Li‐Ion Battery Cathodes
Authors: Lee Jinhyuk , Wang Chao , Malik Rahul , Dong Yanhao , Huang Yimeng , Seo Dong‐Hwa , Li Ju 
Published: May 2021

AbstractThe development of Li‐excess disordered‐rocksalt (DRX) cathodes for Li‐ion batteries and interpretation through the framework of percolation theory of Li diffusion have steered researchers to consider “Li‐excess” (x > 1.1 in LixTM2−xO2; TM = transition metal) as being critical to achieving high performance. It is shown that this is not necessary for Mn‐rich DRX‐cathodes demonstrated by Li1.05Mn0.90Nb0.05O2 and Li1.20Mn0.60Nb0.20O2, which both deliver high capacity (>250 mAh g−1) regardless of their Li‐excess level. By contextualizing this finding within the broader space of DRX chemistries and confirming with first‐principles calculations, it is revealed that the percolation effect is not crucial at the nanoparticle scale. Instead, Li‐excess is necessary to lower the charging voltage (through the formation of condensed oxygen species upon oxygen oxidation) of certain DRX cathodes, which otherwise would experience difficulties in charging due to their very high TM‐redox potential. The findings reveal the dual roles of Li‐excess – modifying the cathode voltage in addition to promoting Li diffusion through percolation – that must be simultaneously considered to determine the criticality of Li‐excess for high‐capacity DRX cathodes.
Conventional anddata‐drivenmodeling of filtered drag, heat transfer, and reaction rate ingas–particleflows
Authors: Zhu Li‐Tao , Ouyang Bo , Lei He , Luo Zheng‐Hong 
Published: May 2021

AbstractThis study presents conventional and artificial neural network‐based data‐driven modeling (DDM) methods to model simultaneously the filtered mesoscale drag, heat transfer and reaction rate in gas–particle flows. The dataset used for developing the DDM is filtered from highly resolved simulations closed by our recently formulated microscopic drag and heat transfer coefficients (HTCs). Results reveal that the filtered drag correction is nearly independent of filter size when including the filtered gas phase pressure gradient. We further find that the filtered HTC correction critically depends on the added filtered temperature difference marker while the filtered reaction rate correction shows weak dependence on the additional markers. Moreover, compared with conventional correlations, DDM predictions agree better with filtered resolved data. Comparative analysis is also conducted between existing HTC corrections and our work. Finally, the applicability of conventional and data‐driven models coupled with coarse‐grid computational fluid dynamics simulations for pilot‐scale (reactive) gas–particle flows is validated comprehensively.
Encephalitis with Autoantibodies against the Glutamate Kainate Receptors GluK2
Authors: Landa Jon , Guasp Mar , Míguez‐Cabello Federico , Guimarães Joana , Mishima Takayasu , Oda Fumiko , Zipp Frauke , Krajinovic Vladimir , Fuhr Peter , Honnorat Jerome , Titulaer Maarten , Simabukuro Mateus , Planagumà Jesus , Martínez‐Hernández Eugenia , Armangué Thais , Saiz Albert , Gasull Xavier , Soto David , Graus Francesc , Sabater Lidia , Dalmau Josep ,   GluK2 encephalitis study group
Published: May 2021

ObjectiveThe objective of this study was to report the identification of antibodies against the glutamate kainate receptor subunit 2 (GluK2‐abs) in patients with autoimmune encephalitis, and describe the clinical‐immunological features and antibody effects.MethodsTwo sera from 8 patients with similar rat brain immunostaining were used to precipitate the antigen from neuronal cultures. A cell‐based assay (CBA) with GluK2‐expressing HEK293 cells was used to assess 596 patients with different neurological disorders, and 23 healthy controls. GluK2‐ab effects were determined by confocal microscopy in cultured neurons and electrophysiology in GluK2‐expressing HEK293 cells.ResultsPatients’ antibodies precipitated GluK2. GluK2 antibody‐specificity was confirmed by CBA, immunoprecipitation, GluK2‐immunoabsorption, and GluK2 knockout brain immunohistochemistry. In 2 of 8 samples, antibodies reacted with additional GluK2 epitopes present in GluK1 or GluK3; in both, the reactivity was abrogated after GluK2 immuno‐absorption. Six of 8 patients developed acute encephalitis and clinical or magnetic resonance imaging (MRI) features of predominant cerebellar involvement (4 presenting as cerebellitis, which in 2 patients caused obstructive hydrocephalus), and 2 patients had other syndromes (1 with cerebellar symptoms). One of the samples showed mild reactivity with non‐kainate receptors (alpha‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionic acid receptors [AMPAR] and N‐methyl‐D‐aspartate receptors [NMDAR]) leading to identify 6 additional cases with GluK2‐abs among patients with anti‐AMPAR (5/71) or anti‐NMDAR encephalitis (1/73). GluK2‐abs internalized GluK2 in HEK293 cells and neurons; these antibody‐effects were reversible in neurons. A significant reduction of GluK2‐mediated currents was observed in cells treated with patients’ GluK2 serum following the time frame of antibody‐mediated GluK2 internalization.InterpretationGluK2‐abs associate with an encephalitis with prominent clinicoradiological cerebellar involvement. The antibody effects are predominantly mediated by internalization of GluK2. ANN NEUROL 2021;90:107–123
Interactions of linagliptin, rabeprazole sodium, and their formed complex with bovine serum albumin: Computational docking and fluorescence spectroscopic methods
Authors: Hossain Md. Jamal , Sultan Md. Zakir , Rashid Mohammad A. , Kuddus Md. Ruhul 
Published: May 2021

AbstractThe foremost aim of this thermodynamic study was to evaluate the pharmacokinetics (PK) and pharmacodynamics (PD) profiles of linagliptin (LG), rabeprazole sodium (RS), and their 1:1 formed complex by interacting with bovine serum albumin (BSA) at physiological pH 7.4. The molecular interactions of these ligands with the desired biomolecule were substantiated by the spectral quelling of fluorescence intensity of BSA. The fluorescent test and molecular docking revealed that the quenching mechanism was a spontaneous and exothermic static process, and the protein gained its secondary structure due to the interactions. The spectroscopic method was exercised to determine the thermodynamic factors that supported the interactions mediated by van der Waals forces and hydrogen bonds. The activation energy of the formed complex was higher than its precursor drugs while interacting with BSA, and the energy transformation profiles were studied by UV‐fluorescence overlaid curves according to Förster resonance energy transfer (FRET) theory. The double log plot verified that these ligands bound with protein at a 1:1 ratio, which was confirmed by the approximately estimated values of the binding parameters. The drastically lower value of the binding constant of the formed complex suggested the lower half‐life as well as its triggered elimination rate from the cardiovascular system, which may be an initial indicator of the reduced hypoglycemic property of linagliptin. Moreover, the UV–vis and synchronous fluorescence spectroscopic methods affirmed the conformational changes of the BSA due to drug‐protein complexation and polarity alterations in the microenvironment of disparate chromophores of the biomolecule.
Preparation of a fluid diversion agent for profile control in elevated temperature and high salinity reservoirs
Authors: Liu Pingde , Li Weitao , Wei Falin , Hu Futang , Zhu Xiuyu , Jia Zhiwei 
Published: May 2021

AbstractTo improve the thermal stability of organic polymer gels applied for profile control in elevated temperature and high salinity reservoirs, a temperature‐tolerant, and salt‐resistant polymer CP (AM‐AMPS‐PPAM) was synthesized using acrylamide, 2‐acrylamido‐2‐methylpropane‐sulfonic acid, and 4‐propylphenylacrylamide.The effect of component weight percentage on CP (AM‐AMPS‐PPAM) properties was investigated, and its structure was characterized by Fourier transform infrared spectroscopy and scanning electron microscope. The rheological properties of CP (AM‐AMPS‐PPAM) were also investigated. The results showed that CP (AM‐AMPS‐PPAM) has high apparent viscosity at different temperatures. Based on CP (AM‐AMPS‐PPAM), phenolic resin (PF), and a thermal stabilizer (TSA), a fluid diversion agent for profile control in elevated temperature and high salinity reservoirs was prepared. The optimized formula for the fluid diversion agent was as follows: 0.4–0.5 wt% CP (AM‐AMPS‐PPAM) + 0.3–0.4 wt% PF + 0.2–0.3 wt% TSA. In high salinity formation water, the apparent viscosity of the fluid diversion agent was greater than 1.2 × 104 mPa·s, with a gelation time of 5 to 30 h at 115°C and retention rate of the apparent viscosity of greater than 85% for 90 days. The results indicate that the diversion agent exhibited good thermal stability.
Quantifying alignment in carbon nanotube yarns and similar two‐dimensional anisotropic systems
Authors: Kaniyoor Adarsh , Gspann Thurid S. , Mizen Jenifer E. , Elliott James A. 
Published: May 2021

AbstractThe uniaxial orientational order in a macromolecular system is usually specified using the Hermans factor which is equivalent to the second moment of the system's orientation distribution function (ODF) expanded in terms of Legendre polynomials. In this work, we show that for aligned materials that are two‐dimensional (2D) or have a measurable 2D intensity distribution, such as carbon nanotube (CNT) textiles, the Hermans factor is not appropriate. The ODF must be expanded in terms of Chebyshev polynomials and therefore, its second moment is a better measure of orientation in 2D. We also demonstrate that both orientation parameters (Hermans in three dimensional (3D) and Chebyshev in 2D) depend not only on the respective full‐width‐at‐half‐maximum of the peaks in the ODF but also on the shape of the fitted functions. Most importantly, we demonstrate a method to rapidly estimate the Chebyshev orientation parameter from a sample's 2D Fourier power spectrum, using an analysis program written in Python which is available for open access. As validation examples, we use digital photographs of dry spaghetti as well as scanning electron microscopy images of direct‐spun carbon nanotube fibers, proving the technique's applicability to a wide variety of fibers and images.
Intestinal proteases profiling from Anticarsia gemmatalis and their binding to inhibitors
Authors: Silva‐Júnior Neilier R. , Cabrera Yaremis M. , Barbosa Samuel L. , Barros Rafael de A. , Barros Edvaldo , Vital Camilo E. , Ramos Humberto J. O. , Oliveira Maria Goreti A. 
Published: May 2021

AbstractAlthough the importance of intestinal hydrolases is recognized, there is little information on the intestinal proteome of lepidopterans such as Anticarsia gemmatalis. Thus, we carried out the proteomic analysis of the A. gemmatalis intestine to characterize the proteases by LC/MS. We examined the interactions of proteins identified with protease inhibitors (PI) using molecular docking. We found 54 expressed antigens for intestinal protease, suggesting multiple important isoforms. The hydrolytic arsenal featured allows for a more comprehensive understanding of insect feeding. The docking analysis showed that the soybean PI (SKTI) could bind efficiently with the trypsin sequences and, therefore, insect resistance does not seem to involve changing the sequences of the PI binding site. In addition, a SERPIN was identified and the interaction analysis showed the inhibitor binding site is in contact with the catalytic site of trypsin, possibly acting as a regulator. In addition, this SERPIN and the identified PI sequences can be targets for the control of proteolytic activity in the caterpillar intestine and serve as a support for the rational design of a molecule with greater stability, less prone to cleavage by proteases and viable for the control of insect pests such as A. gemmatalis.
Bmcas‐1 plays an important role in response against BmNPV infection in vitro
Authors: Wang Xin , Zhao Zi‐qin , Huang Xin‐ming , Ding Xin‐yi , Zhao Chun‐xiao , Li Mu‐wang , Wu Yang‐chun , Liu Qiu‐ning , Wang Xue‐yang 
Published: May 2021

AbstractApoptosis, as one kind of innate immune system, is involved in host response against pathogens innovation. Caspases play a vital role in the execution stage of host cell apoptosis. It has been reported that Bmcaspase‐1 (Bmcas‐1) has a close relationship with Bombyx mori nucleopolyhedrovirus (BmNPV) infection for its differentially expressed patterns after viral infection. However, its underlying response mechanism is still unclear. The significant differential expression of Bmcas‐1 in different tissues of differentially resistant strains revealed its vital role in BmNPV infection. To further validate its role in BmNPV infection, budded virus (BV)‐eGFP was analyzed after knockdown and overexpression of Bmcas‐1 by small interfering RNA and the pIZT‐mCherry vector, respectively. The reproduction of BV‐eGFP obviously increased at 72 h after knockdown of Bmcas‐1, and decreased after overexpression in BmN cells. Moreover, the conserved functional domain of Cas‐1 among different species and the closed evolutionary relationship of Cas‐1 in Lepidoptera hinted that Bmcas‐1 might be associated with apoptosis, and this was also validated by the apoptosis inducer, Silvestrol, and the inhibitor, Z‐DEVD‐FMK. Therefore, Bmcas‐1 plays an essential antiviral role by activating apoptosis, and this result lays a fundament for clarifying the molecular mechanism of silkworm in response against BmNPV infection and breeding of resistant strains.
Differences in the Oral Microbiome in Patients With Early Rheumatoid Arthritis and Individuals at Risk of Rheumatoid Arthritis Compared to Healthy Individuals
Authors: Kroese Johanna M. , Brandt Bernd W. , Buijs Mark J. , Crielaard Wim , Lobbezoo Frank , Loos Bruno G. , van Boheemen Laurette , van Schaardenburg Dirkjan , Zaura Egija , Volgenant Catherine M. C. 
Published: May 2021

ObjectiveIt has been suggested that rheumatoid arthritis (RA) may originate at the oral mucosa. The aim of the present study was to assess the oral microbiome and periodontal condition in patients with early RA and individuals at risk of developing RA compared to healthy controls.MethodsThree groups were recruited (n = 50 participants per group): 1) patients with early RA (meeting the American College of Rheumatology/European Alliance of Associations for Rheumatology 2010 classification criteria), 2) individuals at risk of developing RA (those with arthralgia who were positive for RA‐associated autoantibodies), and 3) healthy controls. A periodontal examination was conducted to assess the presence of bleeding on probing (BOP), pocket probing depth (PPD), and periodontal inflamed surface area (PISA). The microbial composition of subgingival dental plaque, saliva, and tongue coating was assessed using 16S ribosomal DNA amplicon sequencing, and findings were compared between groups with permutational multivariate analysis of variance (PERMANOVA).ResultsThere were no significant differences in any of the 3 periodontal variables between patients with early RA, at‐risk individuals, and healthy controls (P = 0.70 for BOP, P = 0.30 for PPD, and P = 0.57 for PISA, by Kruskal‐Wallis test). PERMANOVA analyses comparing microbial composition between the groups showed significant differences in the microbial composition of saliva (F = 2.08, P = 0.0002) and tongue coating (F = 2.04, P = 0.008), but not subgingival dental plaque (F = 0.948, P = 0.51). However, in post hoc tests, no significant differences in microbial composition of the saliva or tongue coating were observed between the early RA group and the at‐risk group (F = 1.12, P = 0.28 for saliva; F = 0.834, P = 0.59 for tongue coating). In assessing microbial diversity based on the number of zero‐radius operational taxonomic units per sample, Prevotella in the saliva and Veillonella in the saliva and tongue coating were each found at a higher relative abundance in samples from patients with early RA and at‐risk individuals compared to healthy controls.ConclusionThe results show similarities in the oral microbiome between patients with early RA and at‐risk individuals, since in both groups, the oral microbiome was characterized by an increased relative abundance of potentially proinflammatory species when compared to that in healthy controls. These findings suggest a possible association between the oral microbiome and the onset of RA.
Quantile modeling through multivariate log‐normal/independent linear regression models with application to newborn data
Authors: Morán‐Vásquez Raúl Alejandro , Mazo‐Lopera Mauricio A. , Ferrari Silvia L. P. 
Published: May 2021

AbstractIn this article, we propose and study the class of multivariate log‐normal/independent distributions and linear regression models based on this class. The class of multivariate log‐normal/independent distributions is very attractive for robust statistical modeling because it includes several heavy‐tailed distributions suitable for modeling correlated multivariate positive data that are skewed and possibly heavy‐tailed. Besides, expectation‐maximization (EM)‐type algorithms can be easily implemented for maximum likelihood estimation. We model the relationship between quantiles of the response variables and a set of explanatory variables, compute the maximum likelihood estimates of parameters through EM‐type algorithms, and evaluate the model fitting based on Mahalanobis‐type distances. The satisfactory performance of the quantile estimation is verified by simulation studies. An application to newborn data is presented and discussed.