bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly Durable and Ultrafast Cycling of Dual‐Ion Batteries via In Situ Construction of Cathode–Electrolyte Interphase
Authors: Cheng Zhenjie , Guo Longfei , Dong Qingyu , Wang Chunting , Yao Qian , Gu Xin , Yang Jian , Qian Yitai 
Published: September 2022

AbstractDual‐ion batteries have shown promising prospect in energy storage, owing to their low material costs, high power capability, and environmental friendliness. However, graphite as the cathode always suffers from structural damage and electrode/electrolyte interface instability, which greatly deteriorate their electrochemical performance. Here, tris(trimethyl‐silyl) phosphite (TMSP) is added as an electrolyte additive to improve the electrochemical performance. TMSP not only scavenges the deleterious species generated by electrolytes, but also produces a thin and uniform cathode–electrolyte interphase layer on graphite. Hence, the electrochemical performance is greatly promoted. In graphite||graphite, the capacity retention is ≈96.8% at 30 °C or 92.5% after 3000 cycles in the presence of TMSP, much better than those without TMSP (62% at 30 °C or 27% after 200 cycles).
Direct Observation of “Elongated” Conformational States in α‐Synuclein upon Liquid‐Liquid Phase Separation
Authors: Ubbiali Daniele , Fratini Marta , Piersimoni Lolita , Ihling Christian H. , Kipping Marc , Heilmann Ingo , Iacobucci Claudio , Sinz Andrea 
Published: September 2022

Abstractα‐Synuclein (α‐syn) is an intrinsically disordered protein (IDP) that undergoes liquid‐liquid phase separation (LLPS), fibrillation, and forms insoluble intracellular Lewy bodies in neurons, which are the hallmark of Parkinson's Disease (PD). Neurotoxicity precedes the formation of aggregates and might be related to α‐syn LLPS. The molecular mechanisms underlying the early stages of LLPS are still elusive. To obtain structural insights into α‐syn upon LLPS, we take advantage of cross‐linking/mass spectrometry (XL–MS) and introduce an innovative approach, termed COMPASS (COMPetitive PAiring StatisticS). In this work, we show that the conformational ensemble of α‐syn shifts from a “hairpin‐like” structure towards more “elongated” conformational states upon LLPS. We obtain insights into the critical initial stages of LLPS and establish a novel mass spectrometry‐based approach that will aid to solve open questions in LLPS structural biology.
Comprehensive Fragment Screening of the SARS‐CoV‐2 Proteome Explores Novel Chemical Space for Drug Development
Authors: Berg Hannes , Wirtz Martin Maria A. , Altincekic Nadide , Alshamleh Islam , Kaur Bains Jasleen , Blechar Julius , Ceylan Betül , de Jesus Vanessa , Dhamotharan Karthikeyan , Fuks Christin , Gande Santosh L. , Hargittay Bruno , Hohmann Katharina F. , Hutchison Marie T. , Marianne Korn Sophie , Krishnathas Robin , Kutz Felicitas , Linhard Verena , Matzel Tobias , Meiser Nathalie , Niesteruk Anna , Pyper Dennis J. , Schulte Linda , Trucks Sven , Azzaoui Kamal , Blommers Marcel J. J. , Gadiya Yojana , Karki Reagon , Zaliani Andrea , Gribbon Philip , da Silva Almeida Marcius , Dinis Anobom Cristiane , Bula Anna L. , Bütikofer Matthias , Putinhon Caruso Ícaro , Caterina Felli Isabella , Da Poian Andrea T. , Cardoso de Amorim Gisele , Fourkiotis Nikolaos K. , Gallo Angelo , Ghosh Dhiman , Gomes‐Neto Francisco , Gorbatyuk Oksana , Hao Bing , Kurauskas Vilius , Lecoq Lauriane , Li Yunfeng , Cunha Mebus‐Antunes Nathane , Mompeán Miguel , Cristtina Neves‐Martins Thais , Ninot‐Pedrosa Martí , Pinheiro Anderson S. , Pontoriero Letizia , Pustovalova Yulia , Riek Roland , Robertson Angus J. , Jose Abi Saad Marie , Treviño Miguel Á. , Tsika Aikaterini C. , Almeida Fabio C. L. , Bax Ad , Henzler‐Wildman Katherine , Hoch Jeffrey C. , Jaudzems Kristaps , Laurents Douglas V. , Orts Julien , Pierattelli Roberta , Spyroulias Georgios A. , Duchardt‐Ferner Elke , Ferner Jan , Fürtig Boris , Hengesbach Martin , Löhr Frank , Qureshi Nusrat , Richter Christian , Saxena Krishna , Schlundt Andreas , Sreeramulu Sridhar , Wacker Anna , Weigand Julia E. , Wirmer‐Bartoschek Julia , Wöhnert Jens , Schwalbe Harald 
Published: September 2022

AbstractSARS‐CoV‐2 (SCoV2) and its variants of concern pose serious challenges to the public health. The variants increased challenges to vaccines, thus necessitating for development of new intervention strategies including anti‐virals. Within the international Covid19‐NMR consortium, we have identified binders targeting the RNA genome of SCoV2. We established protocols for the production and NMR characterization of more than 80 % of all SCoV2 proteins. Here, we performed an NMR screening using a fragment library for binding to 25 SCoV2 proteins and identified hits also against previously unexplored SCoV2 proteins. Computational mapping was used to predict binding sites and identify functional moieties (chemotypes) of the ligands occupying these pockets. Striking consensus was observed between NMR‐detected binding sites of the main protease and the computational procedure. Our investigation provides novel structural and chemical space for structure‐based drug design against the SCoV2 proteome.
Rational Design of Surface‐Enhanced Raman Scattering Substrate for Highly Reproducible Analysis
Authors: Shi Lu , Zhang Limin , Tian Yang 
Published: September 2022

AbstractSurface‐enhanced Raman scattering (SERS) is an intense ongoing hot topic due to the ultrahigh sensitivity of intrinsic molecular fingerprint information. However, the reliable SERS analysis is restricted because of the lack of efficient control over the large scale of Raman substrates. With the evolution of nanotechnology, new approaches are being developed to produce substrates with higher reproducibility. In this review, we briefly introduce the factors that affect the reproducibility for SERS analysis. The recent progress in the design of SERS‐active substrates is further summarized, including fabrication of uniform nanostructures, accurate control of nanogaps and molecular regulation. In the end, an outlook of the direction of reliable SERS detection is given.
Pathology or expected morphology? Investigating patterns of cortical porosity and trabecularization during infancy and early childhood
Authors: Welsh Hayley , Brickley Megan B. 
Published: September 2022

AbstractIncreased cortical porosity is associated with a heightened risk of skeletal fragility due to bone loss and structural decay in adults. However, few studies have examined the etiology of cortical porosity in infants and children. This study examines whether age‐related changes in femoral growth and locomotor development influence femoral midshaft cortical porosity in a sample of 48 individuals (fetal to 3.99 years) from the 10th–13th century cemetery of St. Étienne de Toulouse, France. Histological sections were prepared and imaged using light microscopy. Midshaft geometric variables such as total area, cortical area, and pore area were calculated using BoneJ. Increased porosity and cortical trabecularization were found to be significantly associated with age, being almost exclusively present in individuals aged 0.5–1.99 years. At approximately 6 months of age infants typically begin engaging in regular femoral loading and experience an acceleration in growth. The observed increase in midshaft porosity and trabecularization, therefore, likely results from the reorganization and redistribution of cortical bone, stimulated by increased growth velocity and the onset of weight‐bearing activities. The reduction in cortical porosity and trabecularization in individuals aged 2.0–3.99 years indicates that children are approaching some sort of homeostasis as growth velocity slows and their femora adapt to consistent loading. Understanding what expected skeletal development looks like is necessary when conducting bioarcheological studies and this study provides evidence for a pattern of transient midshaft porosity during infancy and early childhood.
Changes of the gene expression in silkworm larvae and Cordyceps militaris at late stages of the pathogenesis
Authors: Kato Tatsuya , Nishimura Konomi , Misu Sadahiko , Ikeo Kazuho , Park Enoch Y. 
Published: September 2022

AbstractCordyceps militaris is an entomopathogenic fungus that forms its fruiting body. The gene expression change in C. militaris and silkworm larvae were analyzed using RNA‐seq to investigate the relationship of C. militaris with the host, silkworm larvae before the death by mycosis. At 144 h after the injection of C. militaris conidia, genes encoding proteases, protease inhibitors, and cuticle proteins in the fat body of silkworm larvae were upregulated, but genes encoding lipoproteins and other proteins in hemolymph were downregulated. On the other hand, at 168 h after the injection of C. militaris conidia, genes encoding amino acid and oligopeptide transporters and permeases in C. militaris were upregulated, suggesting that C. militaris may use peptides and amino acids in silkworm larvae as a nutrient to grow in vivo. Additionally, one gene cluster composed of genes putatively involved in the degradation of phenolic substrates was also upregulated. The addition of 4,5‐dichlorocatechol, an inhibitor of catechol 1,2‐dioxygenase, inhibited the in vivo growth of C. militaris, Beauveria bassiana and Metarhizium anisopliae. These results also suggest that the expression of the gene cluster may be crucial for the in vivo growth of C. militaris and entomopathogenic fungi. This study will clarify how C. militaris grows in insect hosts by avoiding host's immune systems.
Flexible Carbon Sponge Electrodes for All Vanadium Redox Flow Batteries
Authors: Lv Yunhui , Pan Zhefei , Zhou Xuelong , Xiong Ningxin , Wang Fang , Li Yongliang , Wu Qixing 
Published: September 2022

AbstractIn the present work, a flexible carbon sponge is experimentally characterized and proposed as an alternative electrode for advanced vanadium redox flow batteries. Such an electrode is prepared via directly carbonizing the commercially‐available and inexpensive melamine formaldehyde resin sponge in argon, to inherit the well‐defined and three‐dimensional bi‐continuous architecture of the melamine sponge with 99.6% porosity and 40 μm average pore size. By applying the carbon sponges as the electrodes, it is demonstrated that the vanadium flow battery at 200 mA cm−2 can yield an energy efficiency of 77.9%, significantly higher than that with commonly‐used graphite felt electrodes (72.9%). After a thermal treatment in air, the energy efficiency of carbon sponge can further be improved to 81.2% at mA cm−2 due to introduction of favorable oxygen containing functionalities. The operating stability with the carbon sponge is proven by a 200 cycling test with minor efficiency decay.
High‐Voltage and Fast‐Charge Electrolytes for Lithium‐Ion Batteries
Authors: Wan Shuang , Ma Weiting , Xiao Ying , Chen Shimou 
Published: September 2022

AbstractLithium‐ion batteries (LIBs) with high energy density and fast‐charge capability are urgently required for the ever‐growing demands for electric vehicles and hybrid electric vehicles. To achieve this demand, as one of the important components, electrolytes are required to work well at a high voltage to fulfill the good performance of high energy density batteries and facilitate the fast‐charge process. In this review, we mainly focus on the electrolytes design for LIBs under high‐voltage and fast‐charge conditions. The bottlenecks and the typical resolving strategies referring to lithium salts, solvents, solid electrolyte interface, additives and solvent structures in electrolytes are presented in detail. Finally, we propose the challenges regarding electrolytes design insight and inspiration for LIBs under the two conditions to give a better guide for the rationale design of the high energy density and fast‐charge devices in the future applications.
Unexpected new insights into DNA clamp loaders
Authors: Li Huilin , O'Donnell Mike , Kelch Brian 
Published: September 2022

AbstractClamp loaders are pentameric AAA+ assemblies that use ATP to open and close circular DNA sliding clamps around DNA. Clamp loaders show homology in all organisms, from bacteria to human. The eukaryotic PCNA clamp is loaded onto 3′ primed DNA by the replication factor C (RFC) hetero‐pentameric clamp loader. Eukaryotes also have three alternative RFC‐like clamp loaders (RLCs) in which the Rfc1 subunit is substituted by another protein. One of these is the yeast Rad24‐RFC (Rad17‐RFC in human) that loads a 9‐1‐1 heterotrimer clamp onto a recessed 5′ end of DNA. Recent structural studies of Rad24‐RFC have discovered an unexpected 5′ DNA binding site on the outside of the clamp loader and reveal how a 5′ end can be utilized for loading the 9‐1‐1 clamp onto DNA. In light of these results, new studies reveal that RFC also contains a 5′ DNA binding site, which functions in gap repair. These studies also reveal many new features of clamp loaders. As reviewed herein, these recent studies together have transformed our view of the clamp loader mechanism.
Bone marrow mesenchymal stem cells‐derived exosomes mediate nuclear receptor coactivator‐3 expression in osteoblasts by delivering miR‐532‐5p to influence osteonecrosis of the femoral head development
Authors: Lan XiaoYong , Ma HaiPing , Xiong YiPin , Zou LingFeng , Yuan Zhen , Xiao YuHong 
Published: September 2022

AbstractExosomes (Exo) originated from bone marrow mesenchymal stem cells (BMSCs) have therapeutic impacts on osteonecrosis of the femoral head (ONFH), and microRNA (miR)‐532‐5p has been confirmed to participate in ONFH progression. In the research, it was figured out whether BMSCs‐Exo could relieve ONFH by delivering miR‐532‐5p. MG‐63 cells were treated with DEX to construct an ONFH cell model in vitro. The effects of Exo and miR‐532‐5p on the cell viability, lactate dehydrogenase (LDH) content, and apoptosis of BMSCs were detected. The ONFH rat model was established, and the effect of BMSCs‐Exo delivering miR‐532‐5p on the pathological damage of ONFH rats was evaluated. Changes in nuclear receptor coactivator‐3 (NCOA3) and apoptotic proteins were assessed by western blot. The relationship between miR‐532‐5p and NCOA3 was verified by dual luciferase reporter experiments. miR‐532‐5p was elevated in vivo and in vitro ONFH‐models, while NCOA3 expression was reduced. Overexpression of miR‐532‐5p aggravated DEX toxicity in osteoblasts, decreased cell viability, and promoted apoptosis. Knockdown of miR‐532‐5p made Exo further attenuate the toxic effect of DEX on osteoblasts and inhibited apoptosis. The protective effect of miR‐532‐5p‐delivering Exo on osteoblasts was reversed by NCOA3 silencing. In addition, in vivo experiments also confirmed that knockdown of miR‐532‐5p enhanced the therapeutic effect of Exo on ONFH rats. This study demonstrates that miR‐532‐5p‐delivering BMSCs‐Exo inhibits osteoblast viability and promote apoptosis by targeting NCOA3, thereby aggravating ONFH development.
Inhibition of MDFI attenuates proliferation and glycolysis ofHelicobacter pylori‐infected gastric cancer cells by inhibiting Wnt/β‐catenin pathway
Authors: Mi Chen , Zhao Yan , Ren Li , Zhang Dan 
Published: September 2022

AbstractMyoD family inhibitor (MDFI) is a myogenic transcription factor regulatory protein. MDFI has been proven to be upregulated and to promote cell proliferation in colorectal cancer. However, the role of MDFI in gastric cancer (GC) is unclear. In this study, MDFI expression in GC tissues and cell lines was examined by quantitative real‐time PCR and western blot. Cell Counting Kit‐8 assay, clone formation assay, and 5‐ethynyl‐2′‐deoxyuridine assay were used to evaluate GC cell proliferation. Glycolysis was assessed by measuring glucose consumption and lactate and ATP production using commercial assay kits. Western blot was used to detect the expression levels of glycolytic key proteins and Wnt/β‐catenin pathway proteins. To activate Wnt/β‐catenin signaling, GC cells were treated with CHIR‐99021. We found that MDFI expression was increased in GC tumor tissues and cells with a positive correlation with poor survival. Knockdown of MDFI inhibited the increase in GC cell proliferation and glycolysis induced byHelicobacter pylori.Helicobacter pyloriinfection promoted MDFI expression and activated Wnt/β‐catenin signaling. What is more, activation of the Wnt/β‐catenin pathway remarkably reversed the effect of knocking down MDFI on GC cells. Further studies found that MDFI participated in GC cell proliferation and glycolysis by regulating the Wnt/β‐catenin pathway, thereby affecting the development of GC. In conclusion, we demonstrated for the first time that knockdown of MDFI inhibited the increase in GC cell proliferation and glycolysis by regulating the Wnt/β‐catenin pathway. MDFI may be a new target for the clinical treatment of GC.
Procedural and long‐term outcome among patients undergoing expedited trans‐catheter aortic valve replacement
Authors: Berkovitch Anat , Segev Amit , Guetta Victor , Finkelstein Ariel , Kornowski Ran , Danenberg Haim , Fefer Paul , Assa Hana Vaknin , Konigstein Maayan , Merdler Ilan , Perlman Gidon , Maor Elad , Carmiel Rivka , Planer David , Banai Ariel , Shuvy Mony , Assali Abid R. , Orvin Katia , Barbash Israel M. 
Published: September 2022

AbstractObjectivePatients with rapidly deteriorating clinical status due to severe aortic stenosis are often referred for expedited transcatheter aortic valve replacement (TAVR). Data regarding the outcome of such interventions is limited. We aimed to evaluate the outcome of patients undergoing expedited TAVR.Design and SettingData were derived from the Israeli Multicenter Registry.SubjectsSubjects were divided into two groups based on procedure urgency: patients who were electively hospitalized for the procedure (N = 3140) and those who had an expedited TAVR (N = 142). Procedural and periprocedural complication rates were significantly higher among patients with an expedited indication for TAVR compared to those having an elective procedure: valve malposition 4.6% versus 0.6% (p < 0.001), procedural cardiopulmonary resuscitation 4.3% versus 1.0% (p = 0.007), postprocedure myocardial infarction 2.0% versus 0.4% (p = 0.002), and stage 3 acute kidney injury 3.0% versus 1.1%, (p < 0.001). Patients with expedited indication for TAVR had significantly higher in hospital mortality (5.6% vs. 1.4%, p = 0.003). Kaplan–Meier's survival analysis showed that patients undergoing expedited TAVR had higher 3‐year mortality rates compared to patients undergoing an elective TAVR procedure (p < 0.001). Multivariate analysis found that patients with expedited indication had fourfolds increased risk of in‐hospital mortality (odds ratio: 4.07, p = 0.001), and nearly twofolds increased risk of mortality at 3‐year (hazard ratio: 1.69, p = 0.001) compared to those having an elective procedure.ConclusionPatients with expedited indications for TAVR suffer from poor short‐ and long‐term outcomes. It is important to characterize and identify these patients before the deterioration to perform TAVR in a fast‐track pathway to minimize their procedural risk.
Two‐year outcomes after transcatheter aortic valve‐in‐valve implantation in degenerated surgical valves
Authors: Abushouk Abdelrahman I. , Abdelfattah Omar , Gad Mohamed M. , Saad Anas , Hariri Essa , Isogai Toshiaki , Shekhar Shashank , Reed Grant W. , Puri Rishi , Yun James , Vargo Patrick R. , Weiss Aaron J. , Burns Daniel , Unai Shinya , Popovic Zoran , Harb Serge C. , Krishnaswamy Amar , Svensson Lars G. , Johnston Douglas R. , Kapadia Samir R. 
Published: September 2022

AbstractBackgroundTranscatheter aortic valve‐in‐valve implantation (ViV‐TAVI) has emerged in recent years as a safe alternative to redo surgery in high‐risk patients. Although early results are encouraging, data beyond short‐term outcomes are lacking. Herein, we aimed to assess the 2‐year outcomes after ViV‐TAVI.MethodsPatients undergoing ViV‐TAVI for degenerated surgical valves between 2013 and 2019 at the Cleveland Clinic were reviewed. The coprimary endpoints were all‐cause mortality and congestive heart failure (CHF) hospitalizations. We used time‐to‐event analyses to assess the primary outcomes. Further, we measured the changes in transvalvular gradients and the incidence of structural valve deterioration (SVD).ResultsOne hundred and eighty‐eight patients were studied (mean age = 76 years; 65% males). At 2 years of follow‐up, all‐cause mortality and CHF hospitalizations occurred in 15 (8%) and 28 (14.9%) patients, respectively. On multivariable analysis, the postprocedural length of stay was a significant predictor for both all‐cause mortality (hazard ratio [HR] = 1.1; 95% confidence interval [CI]: 1.01, 1.19) and CHF hospitalization (HR = 1.16; 95% CI: 1.07, 1.27). However, the internal diameter of the surgical valve was not associated with significant differences in both primary endpoints. For hemodynamic outcomes, nine patients (4.8%) developed SVD. The mean and peak transvalvular pressure gradients remained stable over the follow‐up period.ConclusionViV‐TAVI for degenerated surgical valves was associated with favorable 2‐year clinical and hemodynamic outcomes. Further studies are needed to better understand the role of ViV‐TAVI as a treatment option in the life management of aortic valve disease.
Photocatalytic degradation of diclofenac using hybridMIL‐53(Al)@TiO2andMIL‐53(Al)@ZnOcatalysts
Authors: Karami Abdollah , Shomal Reem , Sabouni Rana , Murtaza Sana Z. M. , Ghommem Mehdi 
Published: September 2022

AbstractIn this work, TiO2and ZnO were incorporated successfully into a MIL‐53(Al) metal–organic framework (MOF) to form nanocomposites via a facile post‐modification technique. The hybrid MIL‐53(Al)@TiO2and MIL‐53(Al)@ZnO were characterized by several characterization tests. The X‐ray diffraction (XRD), Fourier‐transform infrared (FTIR), and field‐emission scanning electron microscopy (FE‐SEM) analyses showed evidence of the successful incorporation of TiO2and ZnO within the MIL‐53(Al) framework. The thermal gravimetric analysis (TGA) analysis demonstrated the excellent thermal stability of MIL‐53(Al)@TiO2and MIL‐53(Al)@ZnO, while diffuse reflectance spectroscopy (DRS) determined the direct optical band gaps of MIL‐53(Al)@ZnO and MIL‐53(Al)@TiO2to be 3.24 and 3.34 eV, respectively. The composites were also tested for the photocatalytic degradation of diclofenac (DCF) as a micropollutant. The DCF degradation efficiency of the photocatalysts was ranked in the following order: MIL‐53(Al)@TiO2 > MIL‐53(Al) > TiO2 > ZnO > MIL‐53(Al)@ZnO. The incorporation of TiO2enhanced the optical properties of MIL‐53 (Al), which was confirmed with the superior photodegradation efficiency of MIL‐53(Al)@TiO2(>85% in 2 h) as compared to the pristine MIL‐53(Al) (around 80% in 2 h). The improvement in the photodegradation of the hybrid‐MOF is mostly associated with the possible dual function of the adsorption and photodegradation mechanisms. The reusability of MIL‐53(Al) and its composites was inspected over 3 cycles of photodegradation experiments with DCF. The photocatalytic activity of MIL‐53(Al)@TiO2remained unchanged (>90%), while for MIL‐53(Al) and MIL‐53(Al)@ZnO a slight drop was observed over three cyclic degradation experiments. Fluorescence measurements revealed that the hydroxyl radical is an important reactive oxygen species produced by all the photocatalysts that aid in the photodegradation of DCF. Furthermore, the kinetic modelling of the photoreaction identified a second‐order kinetics for all catalysts. Experiments with scavengers showed that hydroxyl radicals played a major role in the photocatalytic process, and it was found that only 2 h of treatment was sufficient to obtain a considerable chemical oxygen demand (COD) reduction of 58%.