bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Electrochemical Performance of Li1.2[Mn0.54Co0.13Ni0.13]O2 Enabled by Synergistic Effect of Li1.5Na0.5SiO3 Modification
Authors: Nie Xiangkun , Xu Zhou , Chen Lina , Li Jianwei , Cheng Jun , Sun Qing , Qiao Ying , Xu Xiaoyan , Zhang Yamin , Li Deping , Peng Ruiqin , Ci Lijie 
Published: June 2020

AbstractSurface coating is effective in improving the electrochemical properties of layered lithium‐rich Mn‐based oxide‐Li1.2[Mn0.54Co0.13Ni0.13]O2 (LLMO). In this work, a novel coating material‐Na+ doped Li2SiO3 (forming Li1.5Na0.5SiO3) is selected to modify LLMO. By means of the modification, the Na+ doping is realized along with the Li2−xNaxSiO3 coating on the surface of Li1.2−xNax[Mn0.54Co0.13Ni0.13]O2 (NLLMO). The higher electrochemical activity of Li2−xNaxSiO3 than Li2SiO3, and surface Na+ doping of LLMO, can significantly improve the battery performance of the LLMO cathode. Consequently, 1 wt% Li1.5Na0.5SiO3 modified LLMO exhibits much improved cycling stability than the others with the minimum voltage decay of only 0.198 V and the highest capacity retention of 83.9% after 100 cycles at 0.5C (1C = 200 mAh g−1). Moreover, it also exhibits an excellent rate performance (200.6 mAh g−1 at 1C). The outstanding electrochemical performance of 1 wt% Li1.5Na0.5SiO3 modified LLMO sheds more light on improving the properties of Li‐rich cathode materials.
Ni/Fe Clusters and Nanoparticles Confined by Covalent Organic Framework Derived Carbon as Highly Active Catalysts toward Oxygen Reduction Reaction and Oxygen Evolution Reaction
Authors: Xu Qing , Qian Jing , Luo Dan , Liu Guojuan , Guo Yu , Zeng Gaofeng 
Published: June 2020

AbstractDeveloping bifunctional electrocatalysts with high activity toward the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) is of great significance for metal–air batteries. Herein, a covalent organic framework (COF)‐derived bifunctional electrocatalyst toward the ORR and the OER is demonstrated, in which the COF‐derived carbon on carbon nanotubes is used as the support to anchor active bimetal Ni/Fe clusters and nanoparticles. Since Ni/Fe ions are immobilized in the pore channels of the COFs, the aggregation and migration of ions under pyrolysis are effectively hindered. In addition, the COF‐derived carbon‐made catalyst features abundant nitrogen content and a high mesoporous volume. As a result, the catalyst displays ultrahigh ORR activity, with a half‐wave potential of 0.87 V versus reversible hydrogen electrode in 0.1 m KOH electrolyte. Moreover, the catalyst achieves a low operating potential of 1.55 V at a current density of 10 mA cm−2, with a Tafel slop of 61 mV decade−1 for OER in 0.1 m KOH, superior to most oxygen electrocatalysts. Furthermore, the catalyst also exhibits remarkable performance in Zn–air batteries. This work demonstrates a new insight into developing bifunctional catalysts from COFs.
Efficient Syntheses of 2D Materials from Soft Layered Composites Guided by Yield Prediction Model: Potential of Experiment‐Oriented Materials Informatics
Authors: Noda Kyohei , Igarashi Yasuhiko , Imai Hiroaki , Oaki Yuya 
Published: June 2020

AbstractExfoliation is a common route to synthesize 2D materials such as monolayered and few‐layered nanosheets. However, it is not easy to control the breaking‐down process. This work shows a new exfoliation strategy for generation of nanosheets from soft layered composites in high yield. Soft layered composites of inorganic hosts and organic guests are exfoliated into nanosheets in organic dispersion media. A simple yield prediction model is constructed on small‐scale experimental data by sparse modeling, a data‐scientific approach, combined with chemical perspective. The prediction model indicates the guest–medium combinations enabling high‐ and low‐yield syntheses of the nanosheets. The high‐ and low‐yield syntheses are actually achieved on different types of layered transition metal oxides in a minimum number of experiments. The number of experiments is reduced by 94%. The experimental optimization realizes further improvement of the yield, namely, shortening the exfoliation time. The present strategies can be applied to obtain a variety of 2D materials through exfoliation. Moreover, the present work suggests that combination of small experimental data, data‐scientific approach, and chemical perspective, i.e., experiment‐oriented materials informatics, has potentials for acceleration of materials design.
Systemic Nanoparticle‐Mediated Delivery of Pantetheinase Vanin‐1 Regulates Lipolysis and Adiposity in Abdominal White Adipose Tissue
Authors: Chen Siyu , Zhang Wenxiang , Sun Chen , Song Mingming , Liu Shuang , Xu Mengyi , Zhang Xiaojin , Liu Li , Liu Chang 
Published: June 2020

AbstractLipolysis in white adipose tissue (WAT) occurs in response to nutritional signals and helps to regulate lipid turnover/adiposity in animals. However, the causal relationships and the mechanisms controlling WAT morphology are not clear. In this report, Vanin‐1, a pantetheinase, is shown to be a novel determinant for lipolysis and adiposity. The expression of Vanin‐1 in the abdominal WAT is positively correlated with lipolysis both in mice and in humans. Mice with global Vanin‐1 deficiency exhibit adipocyte hypertrophy and impaired lipolysis. Use of a nanosystem comprising P3‐peptide, chitosan oligosaccharide lactate, and polyethylene glycol that controls Vanin‐1 expression in the abdominal WAT shows that WAT‐specific Vanin‐1 knockdown blocks fasting‐induced lipolysis and prevents WAT loss. However, WAT‐specific Vanin‐1 mRNA restoration rescues impaired lipolysis and improves glucose/insulin intolerance in diabetic db/db mice. Mechanistically, Vanin‐1 induces PPARγ activity and subsequently facilitates its activation on the proximal promoters of lipolytic genes. Thus, an essential role of Vanin‐1 in the regulation of lipolysis and adiposity is revealed, and a functional RNA delivering strategy for specific intervention of Vanin‐1 expression in WAT is shown. These findings provide a promising approach to treat metabolic diseases caused by dysregulation of Vanin‐1 and lipolysis.
Genetic screens reveal CCDC115 as a modulator of erythroid iron and heme trafficking
Authors: Sobh Amin , Loguinov Alex , Zhou Jie , Jenkitkasemwong Supak , Zeidan Rola , El Ahmadie Nader , Tagmount Abderrahmane , Knutson Mitchell , Fraenkel Paula G. , Vulpe Christopher D. 
Published: June 2020

AbstractTransferrin‐bound iron (TBI), the physiological circulating iron form, is acquired by cells through the transferrin receptor (TfR1) by endocytosis. In erythroid cells, most of the acquired iron is incorporated into heme in the mitochondria. Cellular trafficking of heme is indispensable for erythropoiesis and many other essential biological processes. Comprehensive elucidation of molecular pathways governing and regulating cellular iron acquisition and heme trafficking is required to better understand physiological and pathological processes affecting erythropoiesis. Here, we report the first genome‐wide clustered regularly interspaced short palindromic repeats (CRISPR) screens in human erythroid cells to identify determinants of iron and heme uptake, as well as heme‐mediated erythroid differentiation. We identified several candidate modulators of TBI acquisition including TfR1, indicating that our approach effectively revealed players mechanistically relevant to the process. Interestingly, components of the endocytic pathway were also revealed as potential determinants of transferrin acquisition. We deciphered a role for the vacuolar‐type H+ − ATPase (V‐ ATPase) assembly factor coiled‐coil domain containing 115 (CCDC115) in TBI uptake and validated this role in CCDC115 deficient K562 cells. Our screen in hemin‐treated cells revealed perturbations leading to cellular adaptation to heme, including those corresponding to trafficking mechanisms and transcription factors potentiating erythroid differentiation. Pathway analysis indicated that endocytosis and vesicle acidification are key processes for heme trafficking in erythroid precursors. Furthermore, we provided evidence that CCDC115, which we identified as required for TBI uptake, is also involved in cellular heme distribution. This work demonstrates a previously unappreciated common intersection in trafficking of transferrin iron and heme in the endocytic pathway of erythroid cells.
Chemical Reaction Monitoring using Zero‐Field Nuclear Magnetic Resonance Enables Study of Heterogeneous Samples in Metal Containers
Authors: Burueva Dudari B. , Eills James , Blanchard John W. , Garcon Antoine , Picazo‐Frutos Román , Kovtunov Kirill V. , Koptyug Igor V. , Budker Dmitry 
Published: June 2020

AbstractWe demonstrate that heterogeneous/biphasic chemical reactions can be monitored with high spectroscopic resolution using zero‐field nuclear magnetic resonance spectroscopy. This is possible because magnetic susceptibility broadening is negligible at ultralow magnetic fields. We show the two‐step hydrogenation of dimethyl acetylenedicarboxylate with para‐enriched hydrogen gas in conventional glass NMR tubes, as well as in a titanium tube. The low frequency zero‐field NMR signals ensure that there is no significant signal attenuation arising from shielding by the electrically conductive sample container. This method paves the way for in situ monitoring of reactions in complex heterogeneous multiphase systems and in reactors made of conductive materials while maintaining resolution and chemical specificity.
Single‐Molecule Redox‐Targeting Reactions for a pH‐Neutral Aqueous Organic Redox Flow Battery
Authors: Zhou Mingyue , Chen Yan , Salla Manohar , Zhang Hang , Wang Xun , Mothe Srinivasa Reddy , Wang Qing 
Published: June 2020

AbstractAqueous organic redox flow batteries (AORFBs) have received considerable attention for large‐scale energy storage. Quinone derivatives, such as 9,10‐anthraquinone‐2,7‐disulphonic acid (2,7‐AQDS), have been explored intensively owing to potentially low cost and swift reaction kinetics. However, the low solubility in pH‐neutral electrolytes restricts their application to corrosive acidic or caustic systems. Herein, the single molecule redox‐targeting reactions of 2,7‐AQDS anolyte are presented to circumvent its solubility limit in pH‐neutral electrolytes. Polyimide was employed as a low‐cost high‐capacity solid material to boost the capacity of 2,7‐AQDS electrolyte to 97 Ah L−1. Through in situ FTIR spectroscopy, a hydrogen‐bonding mediated reaction mechanism was disclosed. In conjunction with NaI as catholyte and nickel hexacyanoferrate as the catholyte capacity booster, a single‐molecule redox‐targeting reaction‐based full cell with energy density up to 39 Wh L−1 was demonstrated.
Fcγ Receptor I–Coupled Signaling in Peripheral Nociceptors Mediates Joint Pain in a Rat Model of Rheumatoid Arthritis
Authors: Liu Fan , Shen Xinhua , Su Si , Cui Huan , Fang Yehong , Wang Tao , Zhang Lianfeng , Huang Yuguang , Ma Chao 
Published: June 2020

ObjectiveRheumatoid arthritis (RA) is often accompanied by joint pain and inflammation. Previous studies have demonstrated that functional Fcγ receptor I (FcγRI) is expressed in dorsal root ganglion (DRG) neurons and might contribute to pain in rodent models of antigen‐induced arthritis (AIA). This study was undertaken to elucidate the roles of nociceptive neuronal FcγRI–coupled signaling in the development of joint pain in AIA.MethodsRNA sequencing was used to investigate the transcriptome profile changes in the DRG in a rat model of AIA. A primary sensory neuron–specific Fcgr1a conditional‐knockout (CKO) rat was established by crossing rats carrying a loxP‐flanked Fcgr1a with a Pirt‐specific Cre line. Behavioral, morphologic, and molecular studies were conducted to evaluate the differences between wild‐type (WT) and CKO rats after AIA.ResultsWe first showed that AIA induced a transcriptome profile change in the DRG, involving a number of key proteins downstream of the FcγRI‐related signaling pathway. Compared to the WT rats, both the IgG immune complex–induced acute pain and AIA‐induced pain were alleviated in CKO rats. Moreover, the AIA‐induced activation of FcγRI‐related signaling in DRGs was significantly reduced in CKO rats. In addition, CKO rats showed attenuated joint swelling after AIA.ConclusionThese results indicate that activation of FcγRI‐coupled signaling in DRG neurons plays an important role in the development of joint pain in AIA. Our findings may provide novel insights into the interactions between the peripheral nervous system and the immune system in pathologic conditions and might suggest potential biotargets for the treatment of pain in RA.
Clinical and Molecular Spectrum of Nonsyndromic Early‐Onset Osteoarthritis
Authors: Ruault Valentin , Yauy Kevin , Fabre Aurélie , Fradin Mélanie , Van-Gils Julien , Angelini Chloé , Baujat Geneviève , Blanchet Patricia , Cuinat Silvestre , Isidor Bertrand , Jorgensen Christian , Lacombe Didier , Moutton Sébastien , Odent Sylvie , Sanchez Elodie , Sigaudy Sabine , Touitou Isabelle , Willems Marjolaine , Apparailly Florence , Geneviève David , Barat-Houari Mouna 
Published: June 2020

ObjectiveOsteoarthritis (OA) is the most common joint disease worldwide. The etiology of OA is varied, ranging from multifactorial to environmental to monogenic. In a condition called early‐onset OA, OA occurs at an earlier age than is typical in the general population. To our knowledge, there have been no large‐scale genetic studies of individuals with early‐onset OA. The present study was undertaken to investigate causes of monogenic OA in individuals with nonsyndromic early‐onset OA.MethodsThe study probands were 45 patients with nonsyndromic early‐onset OA who were referred to our skeletal disease center by skeletal dysplasia experts between 2013 and 2019. Criteria for early‐onset OA included radiographic evidence, body mass index ≤30 kg/m2, age at onset ≤50 years, and involvement of ≥1 joint site. Molecular analysis was performed with a next‐generation sequencing panel.ResultsWe identified a genetic variant in 13 probands (29%); the affected gene was COL2A1 in 11, ACAN in 1, and SLC26A2 in 1. After familial segregation analysis, 20 additional individuals were identified. The mean ± SD age at onset of joint pain was 19.5 ± 3.9 years (95% confidence interval 3–47). Eighteen of 33 subjects (55%) with nonsyndromic early‐onset OA and a genetic variant had had at least 1 joint replacement (mean ± SD age at first joint replacement 41 ± 4.2 years; mean number of joint replacements 2.6 per individual), and 21 (45%) of the joint replacement surgeries were performed when the patient was <45 years old. Of the 20 patients age >40 years, 17 (85%) had had at least 1 joint replacement.ConclusionWe confirmed that COL2A1 is the main monogenic cause of nonsyndromic early‐onset OA. However, on the basis of genetic heterogeneity of early‐onset OA, we recommend next‐generation sequencing for all individuals who undergo joint replacement prior to the age of 45 years. Lifestyle recommendations for prevention should be implemented.
Comparison of random‐effects meta‐analysis models for the relative risk in the case of rare events: A simulation study
Authors: Beisemann Marie , Doebler Philipp , Holling Heinz 
Published: June 2020

AbstractPooling the relative risk (RR) across studies investigating rare events, for example, adverse events, via meta‐analytical methods still presents a challenge to researchers. The main reason for this is the high probability of observing no events in treatment or control group or both, resulting in an undefined log RR (the basis of standard meta‐analysis). Other technical challenges ensue, for example, the violation of normality assumptions, or bias due to exclusion of studies and application of continuity corrections, leading to poor performance of standard approaches. In the present simulation study, we compared three recently proposed alternative models (random‐effects [RE] Poisson regression, RE zero‐inflated Poisson [ZIP] regression, binomial regression) to the standard methods in conjunction with different continuity corrections and to different versions of beta‐binomial regression. Based on our investigation of the models' performance in 162 different simulation settings informed by meta‐analyses from the Cochrane database and distinguished by different underlying true effects, degrees of between‐study heterogeneity, numbers of primary studies, group size ratios, and baseline risks, we recommend the use of the RE Poisson regression model. The beta‐binomial model recommended by Kuss (2015) also performed well. Decent performance was also exhibited by the ZIP models, but they also had considerable convergence issues. We stress that these recommendations are only valid for meta‐analyses with larger numbers of primary studies. All models are applied to data from two Cochrane reviews to illustrate differences between and issues of the models. Limitations as well as practical implications and recommendations are discussed; a flowchart summarizing recommendations is provided.
Fluorescent probe sensor based on (R)‐(−)‐4‐phenyl‐2‐oxazolidone for effective detection of divalent cations
Authors: Baruah Shyamal , Aier Merangmenla , Puzari Amrit 
Published: June 2020

AbstractSignificant progress attained in sensor science in recent years has resulted in the development of highly efficient fluorescence probes for sensing metal ions. Fluorescent molecular probes based on (R)‐(−)‐4‐phenyl‐2‐oxazolidone are reported here. Fluorescence studies indicated that the molecular probe could be used successfully to sense divalent metal cations such as Cu2+, Co2+, Pb2+, and Zn2+. The addition of divalent metal cations to the molecular probe produced a specific interaction pattern under UV–visible and fluorescence spectroscopy. These molecules could detect metal cations using fluorescence quenching. Stern–Volmer plots were used to determine quenching rate coefficients, which were calculated to be 2 × 101, 1.06 × 103 and 7.39 × 102 M−1 s−1 for copper, cobalt, and zinc respectively. Calculation of limit of detection for heavy metal cations revealed that the reported molecular probes improved the limit of detection compared with available standard data. Limit of quantitation values were also well within the permissible range. The frontier energy gap of highest occupied molecular orbital to the lowest unoccupied molecular orbital was evaluated using the density functional theory approach and Gaussian 09 W software, which complemented the coordination of azetidinones with divalent metal ions.
Phenanthroimidazole‐based chromophores for organic light‐emitting diodes: synthesis, photophysical, and theoretical study
Authors: Tagare Jairam , Verma Niraj , Tarafder Kartick , Vaidyanathan Sivakumar 
Published: June 2020

AbstractOrganic light‐emitting diodes (OLED) are gaining attention and making a significant contribution to the area of lighting and displays technology. The synthesis of new materials that can act as a host as well as emissive materials is crucial and efforts have been made in this direction in this research. Here, four star‐shaped fluorophores, with a donor–acceptor (D–A) structure and with triphenylamine and phenanthroimidazole groups with different substitutions at the N1 position of the imidazole moiety, were designed and synthesized. Synthesized fluorophores showed sufficient thermal stability (10% Td in the range 230–280°C). Ultraviolet–visible (UV–vis) spectra of the fluorophores showed multiple absorption bands (bands in the UV region, due to π–π* transitions of the conjugated aromatic portion) and all fluorophores showed blue emission in dichloromethane solution. Electrochemical analysis indicated that all fluorophores had excellent oxidation and reduction characteristics. Theoretical calculations were also performed to better understand the structural and electronic properties of the synthesized fluorophores. All fluorophores had higher triplet (T1) energy (ranging from 2.49–2.52 eV) than the widely used green (Ir(ppy)3 –2.4 eV) and red (Ir (piq)2 acac – 2.2 eV) dopant materials. These results indicated that these fluorophores would be useful as host materials for efficient green and red phosphorescent OLEDs.
Advances in Bacterial Biofilm Management for Maintaining Microbiome Homeostasis
Authors: Liu Zhao , Hong Can‐Jian , Yang Yongshuai , Dai Lei , Ho Chun Loong 
Published: June 2020

AbstractCertain microbial biofilm in the human‐microbiota community can negatively impact the host microbiome. This gives rise to various methods to prevent the formation of biofilms or to facilitate biofilm dispersal from surfaces and tissues in the host. Despite all these efforts, these persistent microbial biofilms on surfaces and in the host tissue can result in health problems to the host and its microbiome. It is the adaptive behavior of microbes within the biofilm that confers on these tenacious microbes the resistance to harsh environments, antibiotic treatments, and the ability to evade the host immune system. In this review, the approaches to combat microbial biofilm in the last decade are discussed. The biochemical pathway regulating biofilm formation is first discussed, followed by the discussion of the three approaches to combat biofilm formation: physical, chemical, and biological approaches. The advances in these approaches have given rise to methods of effectively dispersing the microbial biofilm and preventing the adherence of these microbial communities altogether. As there are numerous approaches to target biofilm, in this review the attempt is to provide insights on how these approaches have been used to modulate the host‐microbiome by looking at the individual strengths and weaknesses.
Vesicle transport and growth dynamics in Aspergillus niger: Microscale modeling of secretory vesicle flow and centerline extraction from confocal fluorescent data
Authors: Kunz Philipp J. , Barthel Lars , Meyer Vera , King Rudibert 
Published: June 2020

AbstractIn this paper, we present a mathematical model to describe filamentous fungal growth based on intracellular secretory vesicles (SVs), which transport cell wall components to the hyphal tip. Vesicular transport inside elongating hyphae is modeled as an advection–diffusion–reaction equation with a moving boundary, transformed into fixed coordinates, and discretized using a high‐order weighted essentially nonoscillatory discretization scheme. The model describes the production and the consumption of SVs with kinetic functions. Simulations are subsequently compared against distributions of SVs visualized by enhanced green fluorescent protein in young Aspergillus niger hyphae after germination. Intensity profile data are obtained using an algorithm scripted in ImageJ that extracts mean intensity distributions from 3D time‐lapse confocal measurement data. Simulated length growth is in good agreement with the experimental data. Our simulations further show that a decrease of effective vesicle transport velocity towards the tip can explain the observed tip accumulation of SVs.