bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metal‐Organic Cages with Missing Linker Defects
Authors: Tang Xianhui , Chu Dandan , Gong Wei , Cui Yong , Liu Yan 
Published: January 2021

AbstractWe present here the controlled synthesis of defective coordination cages by employing steric hindrance of organic linkers to manipulate coordination modes of the assembled metal ions. Three chiral 1,1′‐bi‐2‐naphthol (BINOL) derived bis‐tridentate ligands L1–L3 with pyridine‐2,6‐dicarboxamides (pcam) chelating moieties are therefore designed and synthesized, among which L3 has a smaller steric hindrance on the coordinating sites relative to the other two linkers. Complexes of L1 and L2 with lanthanides afford the irregular Ln8(L1)10 hexahedra with two missing edges and Ln4(L2)5 tetrahedra with one missing edge, respectively, both of which contain a 1:1 mixture of Ln(pcam)2 and Ln(pcam)3. In contrast, complex of L3 produces the regular twisted Ln6(L3)9 trigonal prisms without missing edges that contain only Ln(pcam)3 vertices. The defective cage has more freedom to adjust its structural conformation, affording adaptable cavity to accommodate a range of guest molecules with sizes comparable or much larger than the cavity portals.
Photo‐responsive Helical Motion by Light‐Driven Molecular Motors in a Liquid‐Crystal Network
Authors: Hou Jiaxin , Mondal Anirban , Long Guiying , de Haan Laurens , Zhao Wei , Zhou Guofu , Liu Danqing , Broer Dirk J. , Chen Jiawen , Feringa Ben L. 
Published: January 2021

AbstractControlling sophisticated motion by molecular motors is a major goal on the road to future actuators and soft robotics. Taking inspiration from biological motility and mechanical functions common to artificial machines, responsive small molecules have been used to achieve macroscopic effects, however, translating molecular movement along length scales to precisely defined linear, twisting and rotary motions remain particularly challenging. Here, we present the design, synthesis and functioning of liquid‐crystal network (LCN) materials with intrinsic rotary motors that allow the conversion of light energy into reversible helical motion. In this responsive system the photochemical‐driven molecular motor has a dual function operating both as chiral dopant and unidirectional rotor amplifying molecular motion into a controlled and reversible left‐ or right‐handed macroscopic twisting movement. By exploiting the dynamic chirality, directionality of motion and shape change of a single motor embedded in an LC‐network, complex mechanical motions including bending, walking and helical motion, in soft polymer materials are achieved which offers fascinating opportunities toward inherently photo‐responsive materials.
Traceless Removal of Two Kernel Atoms in a Gold Nanocluster and Its Impact on Photoluminescence
Authors: Zhou Yue , Liao Lingwen , Zhuang Shengli , Zhao Yan , Gan Zibao , Gu Wanmiao , Li Jin , Deng Haiteng , Xia Nan , Wu Zhikun 
Published: January 2021

AbstractRemoving or adding kernel atoms of metal nanoclusters (NCs) without leaving a trace is a substantial challenge because the kernel atoms are inside and covered by the outer staples. However, such kernel tuning is very important for improving the properties and acquiring an in‐depth understanding of the kernel‐property correlation. Photoluminescence (PL) is one of the most intriguing characteristics of metal NCs but has not been well understood until now. Inspired by these challenges/questions, we conducted this study and, for the first time, achieved the traceless removal of two kernel atoms in a gold nanocluster by applying a simple thermal treatment and revealed its impact on PL. Further, we demonstrated that the kernel Au‐Au bond length can be an indicator for a comparison of the PL or kernel charge state between nanoclusters with similar kernel structures and sizes.
Stretchable, mechanically resilient, and high electromagnetic shielding polymer/MXene nanocomposites
Authors: Aakyiir Mathias , Kingu Mary‐Ann Stephen , Araby Sherif , Meng Qingshi , Shao Junyan , Amer Yousef , Ma Jun 
Published: January 2021

AbstractThe increasingly disturbing electromagnetic wave pollution has intensified research for high‐performance shielding materials to protect humans and the environment. It remains a great challenge to combine high electromagnetic interference (EMI) shielding performance with mechanical robustness and stretchability. These crucial features have been simultaneously achieved in this work by using a facile method to prepare elastomer/MXene nanocomposites. An EMI shielding effectiveness of 49 dB was obtained from a 1‐mm thick nanocomposite film at 19.6 vol% of MXene; the film has a density of 1.25 g/cm3. The outstanding electrical conductivity of MXene – 4350 ± 125 S·cm−1 – provided free charge carriers in the matrix to absorb electromagnetic signals, leading to the dominance of absorption mechanism over reflection mechanism. Owing to a nanofiller modification step, the nanocomposite films demonstrated not only outstanding EMI shielding but sufficient strength and stretchability. A nanocomposite at 14.0 vol% exhibited Young's modulus of 15.85 ± 0.75 MPa and tensile strength 25.94 ± 0.81 MPa with elongation at break of 170 ± 5.6%, which relates to high stretchability. These impressive properties make our nanocomposites suitable for use in harsh environments as well as applications in stretchable devices, protective clothing, aerospace, aircraft, and automotive industries.
Characterization and Function of Tumor Necrosis Factor and Interleukin‐6–Induced Osteoclasts in Rheumatoid Arthritis
Authors: Yokota Kazuhiro , Sato Kojiro , Miyazaki Takashi , Aizaki Yoshimi , Tanaka Shinya , Sekikawa Miyoko , Kozu Noritsune , Kadono Yuho , Oda Hiromi , Mimura Toshihide 
Published: January 2021

ObjectiveWe have previously reported that stimulation of mouse bone marrow–derived macrophages with tumor necrosis factor (TNF) and interleukin‐6 (IL‐6) induces differentiation of osteoclast‐like cells. We undertook this study to clarify the characterization and function of human TNF and IL‐6–induced osteoclasts using peripheral blood collected from patients with rheumatoid arthritis (RA) and healthy donors.MethodsPeripheral blood monocytes were cultured with a combination of TNF and IL‐6, TNF alone, IL‐6 alone, or with RANKL, and their bone resorption ability was evaluated. Expression levels of NFATc1, proinflammatory cytokines, and matrix metalloproteinase 3 were analyzed. The effects of NFAT inhibitor and JAK inhibitor were examined. Furthermore, the relationship between the number of TNF and IL‐6–induced osteoclasts or RANKL‐induced osteoclasts differentiated from peripheral blood mononuclear cells (PBMCs) in patients with RA and the modified total Sharp score (mTSS) or whole‐body bone mineral density (BMD) was examined.ResultsPeripheral blood monocytes stimulated with a TNF and IL‐6–induced osteoclasts were shown to demonstrate the ability to absorb bone matrix. Cell differentiation was not inhibited by the addition of osteoprotegerin. Stimulation with a combination of TNF and IL‐6 promoted NFATc1 expression, whereas the NFAT and JAK inhibitors prevented TNF and IL‐6–induced osteoclast formation. Expression levels of IL1β, TNF, IL12p40, and MMP3 were significantly increased in TNF and IL‐6–induced osteoclasts, but not in RANKL‐induced osteoclasts. The number of TNF and IL‐6–induced osteoclasts differentiated from PBMCs in patients with RA positively correlated with the mTSS, whereas RANKL‐induced osteoclast numbers negatively correlated with the whole‐body BMD of the same patients.ConclusionOur results demonstrate that TNF and IL‐6–induced osteoclasts may contribute to the pathology of inflammatory arthritis associated with joint destruction, such as RA.
The energy budget of the transition of a neutron star into the third family branch
Authors: Alvarez‐Castillo David E. 
Published: January 2021

AbstractTransition of a compact star into the third family for an equation of state (EoS) featuring mass twins is considered. The energy released at a baryon number conserving the transition of static compact stars configurations is computed for two sets of models for comparison. The EoS of choice is the density‐dependent functional DD2 EoS with excluded model corrections for hadronic matter, which suffers a phase transition into deconfined quark matter described by a constant speed of sound approach. The two sets of EoS models feature different compact star mass onsets that maximize the energy and radius difference at the transition while simultaneously fulfilling state‐of‐the‐art constraints from multimessenger astronomy and empirical nuclear data. The maximal energy budget at the transitions was found to fall in the range of 1049 − 1052 ergs.
Luteolin, inflammation and cancer: Special emphasis on gut microbiota
Authors: Franza Laura , Carusi Valentina , Nucera Eleonora , Pandolfi Franco 
Published: January 2021

AbstractLuteolin belongs to the family of flavonoids, which have anti‐inflammatory functions, potentially useful in a clinical context, particularly for patients suffering from cancer, neuropsychiatric disorders, inflammatory bowel conditions. This peculiarity has been used for centuries in traditional Chinese medicine, for many different diseases. Its anti‐inflammatory effects might be particularly relevant in cancer, with some studies reporting anti‐angiogenesis, anti‐metastatic, and apoptotic effects on cancer cells by luteolin and other flavonoids. In this article, we analyze the anti‐inflammatory role of luteolin, discussing the pathways it may act on. We will then discuss the possible role of microbiota in inflammatory modulation by luteolin. Finally, the possible therapeutic applications of luteolin's anti‐inflammatory properties will be analyzed, with a particular focus on cancer.
Extending the shikimate pathway for microbial production of maleate from glycerol in engineered Escherichia coli
Authors: Sheng Huakang , Jing Yijie , An Ning , Shen Xiaolin , Sun Xinxiao , Yan Yajun , Wang Jia , Yuan Qipeng 
Published: January 2021

AbstractMaleate is one of the most important unsaturated four‐carbon dicarboxylic acids. It serves as an attractive building block in cosmetic, polymer, and pharmaceutical industries. Currently, industrial production of maleate relies mainly on chemical synthesis using benzene or butane as the starting materials under high temperature, which suffers from strict reaction conditions and low product yield. Here, we propose a novel biosynthetic pathway for maleate production in engineered Escherichia coli. We screened a superior salicylate 5‐hydroxylase that can catalyze hydroxylation of salicylate into gentisate with high conversion rate. Then, introduction of salicylate biosynthetic pathway and gentisate ring cleavage pathway allowed the synthesis of maleate from glycerol. Further optimizations including enhancement of precursors supply, disruption of competing pathways, and construction of a pyruvate recycling system, boosted maleate titer to 2.4 ± 0.1 g/L in shake flask experiments. Subsequent scale‐up biosynthesis of maleate in a 3‐L bioreactor under fed‐batch culture conditions enabled the production of 14.5 g/L of maleate, indicating a 268‐fold improvement compared with the titer generated by the wildtype E. coli strain carrying the entire maleate biosynthetic pathway. This study provided a promising microbial platform for industrial level synthesis of maleate, and demonstrated the highest titer of maleate production in microorganisms so far.
MicroRNA‐145 transcriptionally regulates Semaphorin 3A expression in prostate cancer cells
Authors: Barlak Neslisah , Capik Ozel , Kilic Ahsen , Sanli Fatma , Aytatli Abdulmelik , Yazici Aysenur , Karatas Elanur Aydin , Ortucu Serkan , Karatas Omer Faruk 
Published: January 2021

AbstractProstate cancer (PCa) is one of the most prevalent cancer types among males. Differential expression of microRNAs is associated with various cancers including PCa. Although mature microRNAs are preferentially located in the cytoplasm, several studies identified mature human microRNAs in purified nuclei and miR‐145 has been found to be predominantly expressed in the nuclei of benign tissues compared to tumor lesions. However, the nuclear functions of miR‐145 are yet limited. Here, we aimed at investigating the inductive role of miR‐145 on the expression of Semaphorin 3A (SEMA3A) in PCa cell lines. To study the regulatory potential of miR‐145 in the transcriptional level in PCa, we overexpressed miR‐145 in PC3 and DU145 cells, and confirmed its upregulation by quantitative‐real‐time‐PCR. Then we investigated the tumor suppressor potential of miR‐145 upon inducing SEMA3A expression using cell viability assay, western blot analysis, Chromatin Immunoprecipitation assay and luciferase reporter assay. Our results revealed that p53, miR‐145, and SEMA3A expressions are significantly downregulated in PC3 and DU145 cells compared to nontumorigenic prostate epithelial PNT1a cells. miR‐145 overexpression in PCa cells induced the expression of SEMA3A at both messenger RNA and protein levels. Furthermore, increased miR‐145 expression enriched RNA Pol‐II antibody on the promoter of SEMA3A and induced luciferase activity controlled by SEMA3A promoter. In this study, we showed that the functions of miR‐145 are not limited to gene silencing, and found that it may lead to changes in gene expression in the transcriptional level.
Severe oropharyngeal dysphagia following COVID‐19: a case report
Authors: De Vincentis Giulia , Ferrari Chiara , Guerini Rocco Dario 
Published: January 2021

AbstractDysphagia may occur after a prolonged intubation due to COVID‐19 but it is usually mild. Case reports on severe dysphagia following COVID‐19 are infrequent. Diagnosis can be difficult because international indications recommend avoiding instrumental assessments as far as possible because of the infection risk. An early rehabilitation treatment is recommended.
Fatal temozolomide induced aplastic anemia in a female with Glioblastoma multiforme : A case report and literature review
Authors: Ata Fateen , Akkam Veettil Safna Farsana , Gaber Mohammed , Omar Nabil E. , Madani Ammar , Mah. Afifi Hebatalla , Aldardouri Meeloud M. , Amer Aliaa , Kohla Samah , Zar Gul Abdul Rehman 
Published: January 2021

AbstractWhen seeing patients on Temozolomide with pancytopenia, aplastic anemia secondary to the drug should be considered early in the differentials to avoid permanent hematological suppression.
Diethylene Glycol/NaBr Catalyzed CO2 Insertion into Terminal Epoxides: From Batch to Continuous Flow
Authors: Rigo Davide , Calmanti Roberto , Perosa Alvise , Selva Maurizio , Fiorani Giulia 
Published: January 2021

AbstractCO2 insertion reactions on terminal epoxides (styrene oxide, 1,2‐epoxyhexane and butyl glycidyl ether) were performed in a binary homogeneous mixture comprising NaBr as the nucleophilic catalyst and diethylene glycol (DEG) as both solvent and catalyst activator (cation coordinating agent). The reaction protocol was initially studied under batch conditions either in autoclaves and glass reactors: quantitative formation of the cyclic organic carbonate products (COCs) were achieved at T=100 °C and p0(CO2)=1–40 bar. The process was then transferred to continuous‐flow (CF) mode. The effects of the reaction parameters (T, p(CO2), catalyst loading, and flow rates) were studied using microfluidic reactors of capacities variable from 7.85 ⋅ 10−2 to 0.157 cm3. Albeit the CF reaction took place at T=220 °C and 120 bar, CF improved the productivity and allowed catalyst recycle through a semi‐continuous extraction procedure. For the model case of 1,2‐epoxyhexane, the (non‐optimized) rate of formation of the corresponding carbonate, 4‐butyl‐1,3‐dioxolan‐2‐one, was increased up to 27.6 mmol h−1 equiv.−1, a value 2.5 higher than in the batch mode. Moreover, the NaBr/DEG mixture was reusable without loss of performance for at least 4 subsequent CF‐tests.
Biomass‐Derived Activated Carbon for High‐Performance Supercapacitor Electrode Applications
Authors: Merin Pulikkottil , Jimmy Joy P. , Muralidharan M. N. , Veena Gopalan E. , Seema Ansari 
Published: January 2021

AbstractActivated carbon is the most widely used electrode material in electrochemical double‐layer capacitors. Cashew nutshell‐derived activated carbon (CNSAC) exhibits a highly porous structure with reasonable surface area and high pore volume, which indicates that it is a good electrode material. Electrochemical characterizations confirmed the formation of the electric double layer in the system with high specific capacitance and excellent retention in capacitance even after thousand cylces of charge/discharge. It is found that CNSAC has great potential as a low‐cost and environmentally friendly electrode material for highly efficient supercapacitors.
Gaseous Hydrogen Sulfide Removal Using Macroalgae Biochars Modified Synergistically by H2SO4/H2O2
Authors: Chen Hui , Han Xuan , Liu Yangxian 
Published: January 2021

AbstractA novel H2SO4/H2O2 combining modification was used to modify two kinds of macroalgae (Sargassum and Enteromorpha) biochars to remove gaseous H2S. Desulfurization performance, mechanism, and kinetics of the biochars were studied. The proposed H2SO4/H2O2 combining modification greatly improves the desulfurization performance of biochars. Compared with common adsorbents, the biochars achieve better desulfurization effects. Desulfurization processes follow the pseudo‐first‐order model and external mass transfer is the control step. H2S adsorption over biochars means physical adsorption, while chemical adsorption is auxiliary. H2SO4/H2O2 combining modification improves the desulfurization performance by enhancing the pore structure and increasing O‐containing functional groups.
A bubble structure dependent drag model for CFD simulation of bi‐disperse gas‐solid flow in bubbling fluidizations
Authors: Du Shaohua , Liu Lijun 
Published: January 2021

AbstractIn this work, the bi‐disperse gas‐solid flow system inside a grid cell is decomposed into subsystems, and a bubble structure dependent drag model is proposed. The bi‐disperse drag correlation derived from direct numerical simulation is coupled to calculate the drag coefficient in subsystems. The effects of slip velocity, particle composition concentration, and solid concentration gradient are considered in the novel drag model. Three simulation cases are carried out to validate the effectiveness of the novel drag model. It is found that smaller particles strongly influence the heterogeneity of larger particles. Solids concentration gradient is obvious at the bubble surface, gas inlet, and the bed upper surface, indicating the dramatic change of interphase drag force in these regions. Simulation results predicted by the novel drag model are more accurate than the traditional drag model. The comparison between 2D and 3D simulations for a pseudo‐2D fluidized bed are also presented.
Synthesis and in Vitro Evaluation of Novel 5‐Nitroindole Derivatives as c‐Myc G‐Quadruplex Binders with Anticancer Activity
Authors: Nimbarte Vijaykumar D. , Wirmer‐Bartoschek Julia , Gande Santosh L. , Alshamleh Islam , Seibert Marcel , Nasiri Hamid Reza , Schnütgen Frank , Serve Hubert , Schwalbe Harald 
Published: January 2021

AbstractLead‐optimization strategies for compounds targeting c‐Myc G‐quadruplex (G4) DNA are being pursued to develop anticancer drugs. Here, we investigate the structure‐activity‐ relationship (SAR) of a newly synthesized series of molecules based on the pyrrolidine‐substituted 5‐nitro indole scaffold to target G4 DNA. Our synthesized series allows modulation of flexible elements with a structurally preserved scaffold. Biological and biophysical analyses illustrate that substituted 5‐nitroindole scaffolds bind to the c‐Myc promoter G‐quadruplex. These compounds downregulate c‐Myc expression and induce cell‐cycle arrest in the sub‐G1/G1 phase in cancer cells. They further increase the concentration of intracellular reactive oxygen species. NMR spectra show that three of the newly synthesized compounds interact with the terminal G‐quartets (5′‐ and 3′‐ends) in a 2 : 1 stoichiometry.
Impact of ferrous sulfate concentration on Clarireedia isolate growth and dollar spot development
Authors: Shelton C. D. , Askew S. D. , Ervin E. H. , McCall D. S. 
Published: January 2021

AbstractDollar spot is a common disease of both warm‐ and cool‐season amenity turfgrasses caused by Clarireedia species. Previous field studies have shown dollar spot suppression with 48.8 kg ha−1 ferrous sulfate heptahydrate. In vitro research suggests that 100–1,000 mg L−1 ferrous sulfate concentrations suspended in agar will directly inhibit Clarireedia mycelial growth. The impact of ferrous sulfate concentration on dollar spot development in situ is not clearly defined. Our research explored five field rates and five concentrations of ferrous sulfate against dollar spot development in situ and Clarireedia growth in‐vitro, respectively. Field‐applied rates included 0, 4.88, 24.4, 48.8, and 97.6 kg ha−1 ferrous sulfate. Our data indicate a nonlinear relationship between ferrous sulfate rate and dollar spot development, with 26.4 kg ha−1 required for 50% dollar spot suppression and only a 10% increase in suppression with previously reported rates of 48.8 kg ha−1. Ferrous sulfate suppressed dollar spot on both golf course fairways and putting greens. Radial mycelial growth of four isolates were modeled using ferrous sulfate‐amended agar at concentrations of 0, 200, 400, 600, and 800 mg kg−1. Effective concentration required to suppress Clarireedia growth by 50% ranged from 511 to 687 mg L−1 and varied by isolate, though the relationships for all had a negative linear relationship of mycelial growth to concentration. Radial growth of the two isolates collected from warm‐season grasses grew faster than two isolates collected from cool‐season grasses.
Push‐Pull Electronic Effects in Surface‐Active Sites Enhance Electrocatalytic Oxygen Evolution on Transition Metal Oxides
Authors: Garcés‐Pineda Felipe Andrés , Chuong Nguyën Huu , Blasco‐Ahicart Marta , García‐Tecedor Miguel , de Fez Febré Mabel , Tang Peng‐Yi , Arbiol Jordi , Giménez Sixto , Galán‐Mascarós José Ramón , López Núria 
Published: January 2021

AbstractSustainable electrocatalysis of the oxygen evolution reaction (OER) constitutes a major challenge for the realization of green fuels. Oxides based on Ni and Fe in alkaline media have been proposed to avoid using critical raw materials. However, their ill‐defined structures under OER conditions make the identification of key descriptors difficult. Here, we have studied Fe−Ni−Zn spinel oxides, with a well‐defined crystal structure, as a platform to obtain general understanding on the key contributions. The OER reaches maximum performance when: (i) Zn is present in the Spinel structure, (ii) very dense, equimolar 1 : 1 : 1 stoichiometry sites appear on the surface as they allow the formation of oxygen vacancies where Zn favors pushing the electronic density that is pulled by the octahedral Fe and tetrahedral Ni redox pair lowering the overpotential. Our work proves cooperative electronic effects on surface active sites as key to design optimum OER electrocatalysts.