bluuebunny/crossref_metadata_2025_split huggingface dataset:
CoNiO2/Co4N Heterostructure Nanowires Assisted Polysulfide Reaction Kinetics for Improved Lithium–Sulfur Batteries
Authors: Pu Jun , Gong Wenbin , Shen Zhaoxi , Wang Litong , Yao Yagang , Hong Guo 
Published: December 2021

AbstractThe “shuttle effect” of soluble polysulfides and slow reaction kinetics hinder the practical application of Li–S batteries. Transition metal oxides are promising mediators to alleviate these problems, but the poor electrical conductivity limits their further development. Herein, the homogeneous CoNiO2/Co4N nanowires have been fabricated and employed as additive of graphene based sulfur cathode. Through optimizing the nitriding degree, the continuous heterostructure interface can be obtained, accompanied by effective adjustment of energy band structure. By combining the strong adsorptive and catalytic properties of CoNiO2 and electrical conductivity of Co4N, the in situ formed CoNiO2/Co4N heterostructure reveals a synergistic enhancement effect. Theoretical calculation and experimental design show that it can not only significantly inhibit “shuttle effect” through chemisorption and catalytic conversion of polysulfides, but also improve the transport rate of ions and electrons. Thus, the graphene composite sulfur cathode supported by these CoNiO2/Co4N nanowires exhibits improved sulfur species reaction kinetics. The corresponding cell provides a high rate capacity of 688 mAh g−1 at 4 C with an ultralow decaying rate of ≈0.07% per cycle over 600 cycles. The design of heterostructure nanowires and graphene composite structure provides an advanced strategy for the rapid capture–diffusion–conversion process of polysulfides.
Complex Oxides under Simulated Electric Field: Determinants of Defect Polarization in ABO3 Perovskites
Authors: Chi Yen‐Ting , Van Vliet Krystyn J. , Youssef Mostafa , Yildiz Bilge 
Published: December 2021

AbstractPolarization of ionic and electronic defects in response to high electric fields plays an essential role in determining properties of materials in applications such as memristive devices. However, isolating the polarization response of individual defects has been challenging for both models and measurements. Here the authors quantify the nonlinear dielectric response of neutral oxygen vacancies, comprised of strongly localized electrons at an oxygen vacancy site, in perovskite oxides of the form ABO3. Their approach implements a computationally efficient local Hubbard U correction in density functional theory simulations. These calculations indicate that the electric dipole moment of this defect is correlated positively with the lattice volume, which they varied by elastic strain and by A‐site cation species. In addition, the dipole of the neutral oxygen vacancy under electric field increases with increasing reducibility of the B‐site cation. The predicted relationship among point defect polarization, mechanical strain, and transition metal chemistry provides insights for the properties of memristive materials and devices under high electric fields.
Exploring Charge Transport in High‐Temperature Polymorphism of ITIC Derivatives in Simple Processed Unipolar Bottom Contact Organic Field‐Effect Transistor
Authors: Avalos Quiroz Yatzil Alejandra , Koganezawa Tomoyuki , Perkhun Pavlo , Barulina Elena , Ruiz Carmen M. , Ackermann Jörg , Yoshimoto Noriyuki , Videlot‐Ackermann Christine 
Published: December 2021

AbstractPower conversion efficiency of organic solar cells increases continuously due the emergence of novel nonfullerene acceptors (NFAs). As solar cell efficiency is governed by photogeneration followed by charge carrier transport toward the electrode, understanding of univocal electron transport properties of NFAs is of great importance. Acceptors from the indacenodithienothiophene‐based family such as ITIC, ITIC‐Th, and ITIC‐4F have been intensively studied in solar cells. Importantly, ITIC‐ and ITIC‐4F‐based films evolve with increasing annealing temperature from 100 °C up to 250 °C into several polymorphs that may impact the electronic transport strongly. Here, for the first time, the effects of temperature‐dependent polymorphism on the charge transport properties of ITIC, ITIC‐Th, and ITIC‐4F are studied. A unipolar, high performance, and high‐temperature stable thin‐film transistor structure is developed first using divinyltetramethyldisiloxane‐bis(benzocyclobutene) as dielectric passivation material to explore the intrinsic charge transport up to 240 °C. It is shown that electron mobility in the three ITIC‐based films is strongly influenced by the molecule specific polymorphism at optimal temperatures. This leads to a strong increase in electron mobility compared to the as‐cast films, which is correlated to changes in molecule aggregation, domain crystallinity, and orientation as well as intermolecular electronic coupling.
Self‐Healable, Recyclable Anisotropic Conductive Films of Liquid Metal‐Gelatin Hybrids for Soft Electronics
Authors: Park Young‐Geun , Jang Jiuk , Kim Hyobeom , Hwang Jae Chul , Kwon Yong Won , Park Jang‐Ung 
Published: December 2021

AbstractThis paper reports an unconventional approach for the formation of self‐healable and recyclable anisotropic conductive films (ACFs) using soft composites of gelatin hydrogels and liquid metals (LMs). The capsules of LMs dispersed inside the gelatin matrix can present satisfactory anisotropic conductance for electrical connections of vertically aligned, fine electrodes at room temperature by applying compressive pressures. The minimization of the capsule size as well as the softness of these LM‐gelatin hybrid ACFs enables high‐resolution integrations of deformable electronic systems, which can increase the integrity of freeform devices. In addition, the good fluidity of LMs and strong hydrogen bonding in gelatin enable these ACFs to be self‐healable at ambient conditions and even recyclable with no significant degradations in either their original electrical or mechanical properties. The utilization of these ACFs to integrate multiple interconnections of micro‐light‐emitting diode arrays on a soft elastomeric substrate demonstrates a stretchable display with its reliable operations during mechanical deformations, suggesting a promising strategy for next‐generation freeform and eco‐friendly green electronics.
Importance of Superstructure in Stabilizing Oxygen Redox in P3‐Na0.67Li0.2Mn0.8O2
Authors: Kim Eun Jeong , Maughan Philip A. , Bassey Euan N. , Clément Raphaële J. , Ma Le Anh , Duda Laurent C. , Sehrawat Divya , Younesi Reza , Sharma Neeraj , Grey Clare P. , Armstrong A. Robert 
Published: December 2021

AbstractActivation of oxygen redox represents a promising strategy to enhance the energy density of positive electrode materials in both lithium and sodium‐ion batteries. However, the large voltage hysteresis associated with oxidation of oxygen anions during the first charge represents a significant challenge. Here, P3‐type Na0.67Li0.2Mn0.8O2 is reinvestigated and a ribbon superlattice is identified for the first time in P3‐type materials. The ribbon superstructure is maintained over cycling with very minor unit cell volume changes in the bulk while Li ions migrate reversibly between the transition metal and Na layers at the atomic scale. In addition, a range of spectroscopic techniques reveal that a strongly hybridized Mn 3d–O 2p favors ligand‐to‐metal charge transfer, also described as a reductive coupling mechanism, to stabilize reversible oxygen redox. By preparing materials under three different synthetic conditions, the degree of ordering between Li and Mn is varied. The sample with the maximum cation ordering delivers the largest capacity regardless of the voltage windows applied. These findings highlight the importance of cationic ordering in the transition metal layers, which can be tuned by synthetic control to enhance anionic redox and hence energy density in rechargeable batteries.
Biodiesel purification by novel green solvent based on choline chloride: Deep eutectic solvent
Authors: dos Santos Matheus Romeiro Manoel , Teleken Joel Gustavo , Tavares Fernanda , da Silva Edson Antonio 
Published: December 2021

AbstractIn the typical biodiesel production process carried out by the wet method, large volumes of effluents are generated. The objective of this work was to evaluate and compare the use of a novel high efficiency deep eutectic solvent (DES), with the conventional solvent (hot water). The intense ionic interactions established with the formation of hydrogen bonds between DES and impurities, especially with OH groups, potentiated the use of DES, reducing the levels of moisture, free and total glycerol, and mono, di‐ and triglycerides, in accordance with the standards EN 14214 and ASTM D6751, and being more efficient than conventional purification in some cases. The use of triethylene glycol in the DES composition reduced the content of triglyceride, a poorly soluble molecule. Therefore, with a simple and efficient technique, this work presents the potential use of a new alternative green solvent, which can help reduce costs for biodiesel purification.
Synthesis, characterization, and some metal complexes of bis(isocyanide)disiloxane, showing catalytic activity
Authors: Racles Carmen , Zaltariov Mirela‐Fernanda , Silion Mihaela , Avadanei Mihaela , Macsim Ana‐Maria , Nicolescu Alina 
Published: December 2021

AbstractIsocyanides (isonitriles) are unique organic compounds that contain a formally divalent carbon. Herein, the synthesis of 1,3‐bis(isocyanopropyl)tetramethyldisiloxane was performed by a modified carbylamine method, using a phase transfer agent. Spectral methods (nuclear magnetic resonance [NMR], Fourier transform infrared spectroscopy [FT‐IR], and electrospray ionization mass spectrometry [ESI‐MS]) were used to confirm the structure. Energy gap of 1.86 eV (measured by diffuse reflectance spectroscopy [DRS]), high dielectric permittivity (15 at 10 kHz), and conductivity value in the order of 10−7 S·cm−1 place this compound in the range of wide‐bandgap semiconductors. The synthesis of Pt, Ag, and Fe metal complexes without organic co‐ligands and their catalytic activity were also investigated. The Pt complex was active in hydrosilylation reaction and in reduction of p‐nitrophenol, whereas the Ag complex was found effective in alkaline decomposition of hydrogen peroxide. The Fe complex is a new and cheap heterogeneous hydrosilylation catalyst and also showed very good catalytic behavior in heterogeneous Fenton‐like photodecomposition of Congo Red in various photo‐irradiation conditions, with 100% color removal efficiency after 60 min under sunlight. Thus, a simple path for siloxane‐containing materials with promising applications is open.
Development of methylated cobalt–alkyne complexes with selective cytotoxicity against COX‐positive cancer cell lines
Authors: Baecker Daniel , Sagasser Jessica , Karaman Serhat , Hörmann Anton Amadeus , Gust Ronald 
Published: December 2021

AbstractDerivatives of the cytotoxic cyclooxygenase (COX) inhibitor [(prop‐2‐ynyl)−2‐acetoxybenzoate]dicobalthexacarbonyl (Co‐ASS) with a methyl group in the 3, 4, 5, or 6 position of the acetylsalicylic acid (ASS) scaffold were synthesized with the aim to achieve enhanced selectivity for COX‐2. From this modification, a higher specificity for COX‐2‐expressing tumors is expected, preventing COX‐1‐mediated side effects. The cobalt–alkyne complexes were tested for their COX‐inhibitory and antiproliferative properties as well as their cellular uptake. Methylation reduced the effects at the isolated COX‐1, whereas those at the isolated COX‐2 remained nearly constant compared to Co‐ASS. In cellular systems, the new compounds showed superior cytotoxicity toward the COX‐positive HT‐29 colon carcinoma cells than cisplatin. The reduced growth‐inhibitory potency in T‐24 cells, which express distinctly fewer COX enzymes (COX‐1/COX‐2 = 50/1) than HT‐29 cells (COX‐1/COX‐2 = 50/50), and the only marginal activity in COX‐negative MCF‐7 breast cancer cells point to an interference in the arachidonic acid cascade through COX‐2 inhibition as part of the mode of action, especially as the cellular uptake was even higher in MCF‐7 cells than in T‐24 cells. These findings clearly demonstrate that the methylated cobalt–alkyne complexes possess promising potential for further development as reasonable alternatives to the limited platinum‐based antitumor agents.
Synthesis and n‐Type Semiconducting Properties of Bis(dioxaborin) Compounds Containing a π‐Extended 2,2′‐Bithiophene Structure
Authors: Kojima Yohei , Sugiura So , Suzuki Keiji , Yisilamu Yilihamu , Ono Katsuhiko 
Published: December 2021

AbstractBis(dioxaborin) compounds containing π‐conjugated systems have been studied as n‐type semiconductors for organic field‐effect transistors (OFETs). In this study, with the aim of investigating the effect of the extension of the π‐conjugation on the n‐type semiconducting properties and stability of bis(dioxaborin) compounds, we synthesized new compounds containing 2,2′‐bithiophene derivatives extended with an olefin or an acetylene spacer. The absorption maxima of the compounds containing olefin spacers were greatly red‐shifted compared with those of the original compound without a π‐spacer. The newly synthesized compounds exhibited high electron affinity, and the olefin spacers effectively reduced the on‐site Coulomb repulsion in the two‐electron reduction of the compounds. An OFET fabricated using one of these compounds having a layer‐by‐layer crystal structure exhibited n‐type semiconductor behavior with a low threshold voltage, most likely due to the small on‐site Coulomb repulsion. The electron‐transporting properties were investigated by theoretical calculations based on the Marcus theory.
A dual responsive robust human serum albumin‐based nanocarrier for doxorubicin
Authors: Toosi Moghadam Fatemeh , Mamashli Fatemeh , Khoobi Mehdi , Ghasemi Atiyeh , Pirhaghi Mitra , Delavari Behdad , Mahmoudi Aznaveh Hooman , Nikkhah Maryam , Saboury Ali Akbar 
Published: December 2021

AbstractTargeted drug therapy against cancer has been introduced as a smart strategy to combat the unwanted side effects due to systemic administration of chemotherapeutics. A human serum albumin (HSA)‐based nanocarrier was fabricated with the aim to target reductive media and acidic pH of the tumor tissues. α‐Lipoic acid (LA) was applied to increase the number of disulfide bonds in the nanocarrier to target higher glutathione concentrations present in tumor tissues and polyethylene glycol was used to target the acidic pH of tumors. UV illumination, ethanol desolvation, oxygen bubbling, and a mixture of redox buffers were employed to prepare doxorubicin‐loaded HSA–LA nanoparticles. The nanocarrier was supposed to release the loaded doxorubicin in reductive and acidic pH media. Fourier‐transform infrared spectroscopy and energy dispersive X‐ray analysis indicated successful attachment of LA to HSA. The prepared nanoplatform presented improved doxorubicin loading efficiency and content and successfully released the loaded doxorubicin in the expected conditions. Protein corona study indicated that positively charged plasma proteins with molecular weights of nearly 80 kDa are absorbed to the surface of the nanoparticles. Furthermore, it showed desirable UV and storage stability, which implied its robustness and improved shelf life if applied in nanomedicine.
Biosensing epidemic and pandemic respiratory viruses: Internet of Things with Gaussian noise channel algorithmic model
Authors: Gopinath Subash C.B. , Ismail Zool H. , Sekiguchi Kazuma 
Published: December 2021

AbstractThe current world condition is dire due to epidemics and pandemics as a result of novel viruses, such as influenza and the coronavirus, causing acute respiratory syndrome. To overcome these critical situations, the current research seeks to generate a common surveillance system with the assistance of a controlled Internet of Things operated under a Gaussian noise channel. To create the model system, a study with an analysis of H1N1 influenza virus determination on an interdigitated electrode (IDE) sensor was validated by current–volt measurements. The preliminary data were generated using hemagglutinin as the target against gold‐conjugated aptamer/antibody as the probe, with the transmission pattern showing consistency with the Gaussian noise channel algorithm. A good fit with the algorithmic values was found, displaying a similar pattern to that output from the IDE, indicating reliability. This study can be a model for the surveillance of varied pathogens, including the emergence and reemergence of novel strains.
Improving genomically recoded Escherichia coli to produce proteins containing non‐canonical amino acids
Authors: Perez Jessica G. , Carlson Erik D. , Weisser Oliver , Kofman Camila , Seki Kosuke , Des Soye Benjamin J. , Karim Ashty S. , Jewett Michael C. 
Published: December 2021

AbstractA genomically recoded Escherichia coli strain that lacks all amber codons and release factor 1 (C321.∆A) enables efficient genetic encoding of chemically diverse non‐canonical amino acids (ncAAs) into proteins. While C321.∆A has opened new opportunities in chemical and synthetic biology, this strain has not been optimized for protein production, limiting its utility in widespread industrial and academic applications. To address this limitation, the construction of a series of genomically recoded organisms that are optimized for cellular protein production is described. It is demonstrated that the functional deactivation of nucleases (e.g., rne, endA) and proteases (e.g., lon) increases production of wild‐type superfolder green fluorescent protein (sfGFP) and sfGFP containing two ncAAs up to ≈5‐fold. Additionally, a genomic IPTG‐inducible T7 RNA polymerase (T7RNAP) cassette into these strains is introduced. Using an optimized platform, the ability to introduce two identical N6‐(propargyloxycarbonyl)‐L‐Lysine residues site specifically into sfGFP with a 17‐fold improvement in production relative to the parent strain is demonstrated. The authors envision that their library of organisms will provide the community with multiple options for increased expression of proteins with new and diverse chemistries.
An integrative multiomics approach to characterize anti‐adipogenic and anti‐lipogenic effects of Akkermansia muciniphila in adipocytes
Authors: Lee Jae‐Seung , Song Won‐Suk , Lim Jun Woo , Choi Tae‐Rim , Jo Sung‐Hyun , Jeon Hyo‐Jin , Kwon Ji‐Eun , Park Ji‐Hyeon , Kim Ye‐Rim , Yang Yung‐Hun , Jeong Jae Hyun , Kim Yun‐Gon 
Published: December 2021

AbstractThe cellular components of Akkermansia muciniphila are considered potential biotherapeutics for the improvement of obesity, diabetes, and metabolic diseases. However, the molecular‐based mechanism of A. muciniphila for treatment of obesity, which can provide important evidence for human research, has rarely been explored. Here, we applied integrative multiomics approaches to investigate the underlying molecular mechanism involved in obesity treatment by A. muciniphila. First, the treatment with a cell lysate of A. muciniphila reduced lipid accumulation in 3T3‐L1 cells and downregulated the mRNA expression of proteins involved in adipogenesis and lipogenesis. Our proteomic results revealed that A. muciniphila decreased the expression of proteins involved in fat cell differentiation, fatty acid metabolism, and energy metabolism in adipocytes. Moreover, A. muciniphila significantly reduced the level of metabolites related to glycolysis, the TCA cycle, and ATP in adipocytes. Interestingly, serine protease inhibitor A3 (SERPINA3) homologs were overexpressed in the 3T3‐L1 cells treated with A. muciniphila. Small interfering RNA (siRNA) transfection demonstrated that A. muciniphila upregulates SERPINA3G expression and inhibits lipogenesis in adipocytes. Taken together, our multiomics‐based approaches enabled to uncover the molecular mechanism of A. muciniphila for treatment of obesity and provide potent anti‐lipogenic agents.
Association of serum cholesterol with Parkinson's disease in a cohort of statin‐free individuals
Authors: Lv Yukai , Xu Bo , Zhang Xuejuan , Chen Chunhuan , Gao Yan , Li Ning 
Published: December 2021

AbstractIntroductionThe role of serum cholesterol in the pathogenesis of Parkinson's disease (PD) remains unclear. The objective of this study was to assess the association between serum cholesterol and PD in a cohort of statin‐free newly diagnosed PD patients.MethodsThis retrospective study used fasting lipid profiles obtained from 672 consecutive statin‐free newly diagnosed PD individuals and 540 controls. These PD individuals were identified from three medical institutions during 2017–2021, and the controls were identified from three physical examination centers during the same time period. Logistic regressions were used to estimate odds ratios (ORs) and 95% confidence intervals (CIs), with adjustment of age, sex, and tobacco use history.ResultsAmong 672 PD individuals, 112 were excluded in accordance with the current criteria, leaving 560 PD patients. The multivariate binary logistic regression analysis showed that LDL‐C was the only variable contributing to the occurrence of PD (OR 1.39, 95% CI: 1.07‐2.31, p < .001) after adjusting for age, sex, and tobacco use history; this association persisted following further adjustment for TC and HDL‐C. In the subgroup analysis of the adjusted results of LDL‐C after correcting for TC and HDL‐C, lower LDL‐C was associated with a higher risk of PD.ConclusionAmong selected populations of statin‐free newly diagnosed PD individuals, low LDL‐C might be associated with the occurrence of PD.
Association between serum low‐density neutrophils and acute‐onset and recurrent Guillain–Barré syndrome
Authors: Ren Kaixi , Yang Aili , Lu Jiarui , Zhao Daidi , Bai Miao , Ding Jiaqi , Wei Tiaoxia , Li Hongzeng , Guo Jun 
Published: December 2021

AbstractBackground and AimGuillain–Barré syndrome (GBS) is one of the most common causes of acute flaccid paralysis. A timely assessment of this disease condition and its treatments are of vital importance to patients diagnosed with GBS. The purpose of this study is to investigate the variation trend of neutrophils along with disease courses and assess the prognostic value of serum low‐density neutrophils (LDNs) in the acute‐onset and recurrence of GBS.MethodsA total of 176 GBS patients were recruited. Patients were evaluated with Medical Research Council (MRC) sum score and the Hughes Functional Grading Scale score upon admission. Peripheral blood samples were collected for routine testing. Flow cytometry analysis was performed to identify LDNs. All patients were followed up to collect disease condition data.ResultsThe total neutrophil ratios and counts were significantly higher in patients with acute‐onset GBS compared to healthy controls (HCs). These counts/ratios decreased during remission and re‐elevated in recurrent GBS patients. However, no correlation was observed between the total neutrophil counts/ratios and the MRC sum score. The LDNs collected from different GBS courses were identified using flow cytometry. The counts and ratios were significantly higher in acute‐onset GBS and recurrent GBS compared to HCs and patients in remission. The LDN counts/ratios displayed a negative correlation with the MRC sum scores in acute‐onset GBS and recurrent GBS.ConclusionOur findings suggest that LDN counts/ratios are positively correlated with the acute‐onset and recurrence of GBS and its severity. Therefore, LDNs might serve as an accessible prognostic indicator for disease progression monitoring.