bluuebunny/crossref_metadata_2025 huggingface dataset:
Drag Reduction Using Lubricant‐Impregnated Anisotropic Slippery Surfaces Inspired by Bionic Fish Scale Surfaces Containing Micro‐/Nanostructured Arrays
Authors: Rong Wanting , Zhang Haifeng , Zhang Tengjiao , Mao Zhigang , Liu Xiaowei , Song Keguan
Published: September 2020

Inspired by the bionic fish scale surfaces containing micro/nanostructured arrays, herein, the applications of lubricant‐impregnated anisotropic slippery surfaces (LIASSs) using laser ablation of aluminum–magnesium alloys are proposed. Different hydrophobic properties are presented on the LIASSs along the parallel direction and the reverse direction defined as directions A and B of bionic fish scale micro/nanostructures. A self‐assembled solid–liquid interface friction test device is set up to demonstrate the drag reduction property of LIASSs. The drag reduction ratios are found to be 51.09% and 44.88% along directions A and B, respectively. With the increase in the velocity, the drag reduction ratios of LIASSs can also be kept near 50%. Simulation models are established to study the drag reduction mechanism of LIASSs in laminar flows. Liquid–liquid repellency has a lubricating effect that can increase mobility and reduce viscous resistance. In this way, it improves the fluidity of the liquid and reduces drag. The drag reduction ratio in direction A is superior to that in direction B for the same flow velocity. The results of the simulation are consistent with the experiments results. LIASSs represents an effective strategy to drag reduction and reducing energy consumption in liquid directional transport and marine vessels.
Photoactivated Nanosheets Accelerate Nucleus Access of Cisplatin for Drug‐Resistant Cancer Therapy
Authors: Gao Fang , Yang Xue , Luo Xinping , Xue Xuling , Qian Chenggen , Sun Minjie
Published: September 2020

Non‐small cell lung cancer (NSCLC) is a primary threat to human health. Cisplatin is always in first‐line treatment of NSCLC; however, cisplatin resistance restricts the application in the clinic. Herein, an innovative 2D platinum delivery platform based on manganese dioxide nanosheet is presented to overcome cisplatin‐resistance and enhance theranostic efficacy in NSCLC. The photo‐induced hyperthermia of nanosheets can inhibit Pt drug efflux from the multidrug resistance‐associated protein (MRP1) repression. Then the intracellular l‐Glutathione (GSH) consumed by MnO2 nanosheets can reduce the generation of GSH‐Pt complex. Working along both lines accelerates access to the nucleus for cisplatin. Moreover, chemo‐photothermal synergistic therapy of Pt nanosheets significantly enhances therapeutic efficacy in vitro and in vivo. In addition, nanosheets can exert an on‐demand activable magnetic resonance imaging contrast effect to monitor Pt drug release. For the first time, a promising photoactivated 2D vector is provided to overcome cisplatin resistance in NSCLC therapy.
Controlled Nucleation and Stabilization of Ferroelectric Domain Wall Patterns in Epitaxial (110) Bismuth Ferrite Heterostructures
Authors: Zhang Yangyang , Tan Yueze , Sando Daniel , Chen Long‐Qing , Valanoor Nagarajan , Zhu Yimei , Han Myung‐Geun
Published: September 2020

Ferroelectric domain walls, topological entities separating domains of uniform polarization, are promising candidates as active elements for nanoscale memories. In such applications, controlled nucleation and stabilization of domain walls are critical. Here, using in situ transmission electron microscopy and phase‐field simulations, a controlled nucleation of vertically oriented 109° domain walls in (110)‐oriented BiFeO3 (BFO) thin films is reported. In the switching experiment, reversed domains that are nucleated preferentially at the nanoscale edges of the “crest and sag” pattern‐like electrode under external bias subsequently grow into a stable stripe configuration. In addition, when triangular pockets (with an in‐plane polarization component) are present, these domain walls are pinned to form stable flux‐closure domains. Phase field simulations show that i) field enhancement at the edges of the electrode causes site‐specific domain nucleation, and ii) the local electrostatics at the domain walls drives the formation of flux closure domains, thus stabilizing the striped pattern, irrespective of the initial configuration. The results demonstrate how flux closure pinning can be exploited in conjunction with electrode patterning and substrate orientation to achieve a desired topological defect configuration. These insights constitute critical advancements in exploiting domain walls in next generation ferroelectronic devices.
An Orally Administered CeO2@Montmorillonite Nanozyme Targets Inflammation for Inflammatory Bowel Disease Therapy
Authors: Zhao Sheng , Li Yixuan , Liu Quanyi , Li Sirong , Cheng Yuan , Cheng Chaoqun , Sun Ziying , Du Yan , Butch Christopher J. , Wei Hui
Published: September 2020

Safe, effective, and convenient administration of therapeutic nanomaterials is one of the greatest difficulties in nanomedicine. To tackle this challenge, a system which couples multi‐enzyme mimicking CeO2 nanoparticles with clinically approved montmorillonite (MMT) for inflammatory bowel disease (IBD) therapy is reported. CeO2 exhibits superoxide dismutase‐ and catalase‐like activities, and hydroxyl radical scavenging activity, making it more efficient at scavenging reactive oxygen species (ROS) than non‐catalytic antioxidants while being more stable than free enzymes. In addition, negatively‐charged MMT can be orally administered and specifically adsorbed onto positively‐charged inflamed colon tissue via electrostatic interactions for targeted delivery. When the two are assembled together by in situ growth of CeO2 onto MMT, the optimized CeO2@MMT(1:9) is stable in the stomach for oral delivery, targets the inflamed colon through electrostatic interactions, and reduces inflammation through ROS scavenging, all without any significant systemic exposure as demonstrated by the relief of murine IBD in vivo.
Bifunctional Cx43 Mimic Peptide Grafted Hyaluronic Acid Hydrogels Inhibited Tumor Recurrence and Stimulated Wound Healing for Postsurgical Tumor Treatment
Authors: He Dan , Li Haiyan
Published: September 2020

Tumor recurrence and delayed wound healing after tumor excision pose great threats to patients. Bifunctional composite biomaterials prepared by simply mixing one component for inhibiting tumor recurrence and another component for enhancing wound healing usually ignores the physico‐chemical property integration of the two components. In this study, a bifunctional Cx43 mimic peptide, juxtamembrane 2 (JM2), is synthesized and grafted to hyaluronic acid (HA) to generate a homogeneous bifunctional injectable hydrogel system (HA‐JM2) for simultaneously inhibiting tumor recurrence and enhancing wound healing. Results demonstrate that JM2 can inhibit proliferation and induce apoptosis of tumor cells in vitro, thereby effectively inhibiting tumor growth in vivo. In addition, JM2 can recruit repairing cells into the wound site and control the ATP release from these cells, which creates a favorable inflammatory microenvironment for tissue regeneration. As the HA‐JM2 hydrogel can sustainably release JM2 to control host inflammation responses and stimulate angiogenesis, it can accelerate the wound healing in full‐thickness skin defects. When the HA‐JM2 hydrogel is applied to incompletely excisional tumor defects, it simultaneously shows inhibitory effects on tumor recurrence and stimulatory effects on skin wound healing. Taken together, the bifunctional HA‐JM2 injectable hydrogel has great application potential for postsurgical tumor treatment.
Recent Advances in Functional 2D MXene‐Based Nanostructures for Next‐Generation Devices
Authors: Huang Weichun , Hu Lanping , Tang Yanfeng , Xie Zhongjian , Zhang Han
Published: September 2020

Similar to graphene and black phosphorus (BP), 2D transition metal carbides and nitrides (MXenes) are of great interest in a variety of fields, such as energy storage and conversion, sensors, electromagnetic interference (EMI) shielding, and photothermal therapy due to their excellent conductivity and hydrophilicity, large specific capacitance, high photothermal effect, and superior electrochemical performance. To further broaden applicable ranges beyond their existing boundaries and fully exploit these potentials, functional 2D MXene nanostructures in recent years have been rationally designed and developed by various approaches, such as doping strategies, surface functionalization, and hybridization, for next‐generation devices with the merits of low power consumption, intelligence, and high‐integration chips. This review provides an overview of the synthetic routes and fundamental properties of functional 2D MXene nanostructures, including surface‐modified 2D MXenes and mixed‐dimensional MXene‐based heterostructures, highlights the state‐of‐the‐art progress in the applications of functional 2D MXene nanostructures with regard to energy storage and conversion, catalysis, sensors, photodetectors, EMI shielding, degradation, and biomedical applications, and presents the challenges and perspectives in these burgeoning fields. It is hoped that this review will inspire more efforts toward fundamental research on new functional 2D MXene‐based devices to satisfy the growing requirements for next‐generation systems.
Connecting Surface‐Forces‐Based Energy Barriers to Nonhomogeneous Colloidal Structures to Appear from Volatile Binary Mixtures of Same Size Nanoparticle Species
Authors: Homede Ekhlas , Abo Jabal Mohammad , Manor Ofer
Published: September 2020

The capacity of nanoparticles to self‐arrange to various structures and their unique physical properties has made these building blocks essential in a broad range of applications and scientific disciplines. In this work, the manipulation of particulate structures that appear from binary dispersions is demonstrated, comprising same size particles of two different chemistries, following the evaporation of an electrolyte solution carrier. By varying the ionic strength and pH in the solutions, the balance between attractive and repulsive surface forces is tuned, that is, electrical double layer, Van der Waals, hydrophobic, and hydrophilic forces, in the binary particle mixtures. Hence, the corresponding potential energy barriers are tuned to particle attachments to each other and to the underlying substrate and alter the nanoscopic arrangement of the different types of particles in the microscopic particulate structures, which appear by convective pattern formation. Hence, by realizing the physical mechanisms which govern the potential energy contributions to the pattern formation of particulate structures at the nanometer scale, the 3D morphology of binary mixtures of same size particles is rendered homogeneous, layered, or phases separated. This is a useful approach toward the top‐down fabrication of nonhomogeneous colloidal structures.
Bioinspired Dopamine/Mucin Coatings Provide Lubricity, Wear Protection, and Cell‐Repellent Properties for Medical Applications
Authors: Song Jian , Lutz Theresa M. , Lang Nora , Lieleg Oliver
Published: September 2020

Even though medical devices have improved a lot over the past decades, there are still issues regarding their anti‐biofouling properties and tribological performance, and both aspects contribute to the short‐ and long‐term failure of these devices. Coating these devices with a biocompatible layer that reduces friction, wear, and biofouling at the same time would be a promising strategy to address these issues. Inspired by the adhesion mechanism employed by mussels, here, dopamine is made use of to immobilize lubricious mucin macromolecules onto both manufactured commercial materials and real medical devices. It is shown that purified mucins successfully adsorb onto a dopamine pre‐coated substrate, and that this double‐layer is stable toward mechanical challenges and storage in aqueous solutions. Moreover, the results indicate that the dopamine/mucin double‐layer decreases friction (especially in the boundary lubrication regime), reduces wear damage, and provides anti‐biofouling properties. The results obtained in this study show that such dopamine/mucin double‐layer coatings can be powerful candidates for improving the surface properties of medical devices such as catheters, stents, and blood vessel substitutes.
Mineralized Hydrogels Induce Bone Regeneration in Critical Size Cranial Defects
Authors: Wu Xinchen , Zhang Tengfei , Hoff Brianna , Suvarnapathaki Sanika , Lantigua Darlin , McCarthy Colleen , Wu Bin , Camci‐Unal Gulden
Published: September 2020

Sequential mineralization enables the integration of minerals within the 3D structure of hydrogels. Hydrolyzed collagen‐based hydrogels are sequentially mineralized over 10 cycles. One cycle is defined as an incubation period in calcium chloride dihydrate followed by incubation in sodium phosphate dibasic dihydrate. Separate cycles are completed at 30‐minute and 24‐hour intervals. For the gels mineralized for 30 min and 24 h, the compressive moduli increases from 4.25 to 87.57 kPa and from 4.25 to 125.47 kPa, respectively, as the cycle number increases from 0 to 10. As indicated by X‐ray diffraction (XRD) and Fourier transform infrared analysis (FTIR) analyses, the minerals in the scaffolds are mainly hydroxyapatite. In vitro experiments, which measure mechanical properties, porous structure, mineral content, and gene expression are performed to evaluate the physical properties and osteoinductivity of the scaffolds. Real time‐quantitative polymerase chain reaction (RT‐qPCR) demonstrates 4–10 fold increase in the expression of BMP‐7 and osteocalcin. The in vivo subcutaneous implantation demonstrates that the scaffolds are biocompatible and 90% biodegradable. The critical size cranial defects in vivo exhibit nearly complete bone regeneration. Cycle 10 hydrogels mineralized for 24 h have a volume of 59.86 mm3 and a density of 1946.45 HU. These results demonstrate the suitability of sequentially mineralized hydrogel scaffolds for bone repair and regeneration.
High Formability and Fast Lithium Diffusivity in Metastable Spinel Chloride for Rechargeable All‐Solid‐State Lithium‐Ion Batteries
Authors: Tanibata Naoto , Kato Masashi , Takimoto Shuta , Takeda Hayami , Nakayama Masanobu , Sumi Hirofumi
Published: September 2020

Materials with high formability and Li‐ion diffusivity are desired to realize safe bulk‐type all‐solid‐state Li‐ion batteries with high energy density. Spinel‐type Li2FeCl4, which is expected as a Li‐ion‐conductive electrode, adopts the high‐temperature cubic phase (space group: Fd‐3m) by a mechanochemical synthesis method. The powder‐compressed pellet shows a high relative density of 92% and large neck formation between the particles. An analysis of the distribution of relaxation times from the AC impedance results indicates that the contribution of the grain boundary impedance is almost negligible (≈3%) in the powder‐compressed pellet. Even the Li diffusion coefficient, which is underestimated by the Nernst–Einstein equation, is several orders of magnitude higher than those of conventional oxide and sulfide electrode materials. Analyzing the diffusion pathways using a classical force field calculation suggests that stabilizing the high‐temperature phase at room temperature delocalizes Li ions in the diffusion pathway, thus realizing high Li‐ion diffusivity. The Li2FeCl4 green compact containing 10 wt% carbon as an electron‐conductive additive shows a one‐electron charge reaction with a capacity of 126 mAh g−1, with no large overpotential at a high operating voltage of 3.6 V versus Li/Li+ at 30 °C.
How does tillage intensity affect chemical soil health indicators? A United States meta‐analysis
Authors: Nunes Marcio R. , Karlen Douglas L. , Moorman Thomas B. , Cambardella Cynthia A.
Published: September 2020

Tillage intensity can affect chemical soil health indicators either positively or negatively depending on inherent soil properties and management practices. Soil chemical data (total N, P, K, Ca, Mg, and pH) from four depth increments within 196 published studies were compiled and subjected to a meta‐analysis comparing chisel plow (CP), no‐till (NT), and perennial systems (PER) with moldboard plowing (MP). Overall, CP did not affect soil chemical indicators when compared to MP, but converting from MP to NT increased total N, P, and K concentrations within the top 15 cm. Below that depth, Ca and Mg concentrations were lower under NT than MP but total N, P, and K were not significantly different. Topsoil total N response to NT was moderated by soil order and cropping system, with the largest increase in total N found in Ultisols, Inceptisols, Alfisols, and Mollisols under more diversified cropping systems including those with cover crops. The greatest topsoil P increase in response to NT was found under long‐term experiments (>5‐yr) and on fine‐textured soils. Phosphorus changes in studies on coarse‐textured soils, with short‐term duration, and manure applications were generally neutral. Perennial systems had lower soil P and K but higher total N content in the surface layer as compared to MP. The positive response to PER systems was most notable in Alfisols, Mollisols, and Ultisols and under long‐term PER management. Finally, we demonstrate that these chemical indicators respond to tillage and cropping systems over a wide range of conditions, showing utility for soil health assessment.
Iodine Redox Chemistry in Rechargeable Batteries
Authors: Ma Jizhen , Liu Miaomiao , He Yulong , Zhang Jintao
Published: September 2020

Halogens have been coupled with metal anodes in a single cell to develop novel rechargeable batteries based on extrinsic redox reactions. Since the commercial introduction of lithium‐iodine batteries in 1972, they have shown great potential to match the high‐rate performance, large energy density, and good safety of advanced batteries. With the development of metal anodes (e.g. Li, Zn), one of the actual challenges lies in the preparation of electrochemically active and reliable iodine‐based cathodes to prevent self‐discharge and capacity decay of the rechargeable batteries. Understanding the fundamental reactions of iodine/polyiodide and their underlying mechanisms is still highly desirable to promote the rational design of advanced cathodes for high‐performance rechargeable batteries. In this Minireview, recent advances in the development of iodine‐based cathodes to fabricate rechargeable batteries are summarized, with a special focus on the basic principles of iodine redox chemistry to correlate with structure‐function relationships.
Rhodium‐Catalyzed Cyclization of Terminal and Internal Allenols: An Atom Economic and Highly Stereoselective Access Towards Tetrahydropyrans
Authors: Schmidt Johannes P. , Breit Bernhard
Published: September 2020

A comprehensive study of a diastereoselective Rh‐catalyzed cyclization of terminal and internal allenols is reported. The methodology allows the atom economic and highly syn‐selective access to synthetically important 2,4‐disubstituted and 2,4,6‐trisubstituted tetrahydropyrans (THP). Furthermore, its utility and versatility are demonstrated by a great functional‐group compatibility and the enantioselective total synthesis of (−)‐centrolobine.
CO Binding to the FeV Cofactor of CO‐Reducing Vanadium Nitrogenase at Atomic Resolution
Authors: Rohde Michael , Grunau Katharina , Einsle Oliver
Published: September 2020

Nitrogenases reduce N2, the most abundant element in Earth's atmosphere that is otherwise resistant to chemical conversions due to its stable triple bond. Vanadium nitrogenase stands out in that it additionally processes carbon monoxide, a known inhibitor of the reduction of all substrates other than H+. The reduction of CO leads to the formation of hydrocarbon products, holding the potential for biotechnological applications in analogy to the industrial Fischer–Tropsch process. Here we report the most highly resolved structure of vanadium nitrogenase to date at 1.0 Å resolution, with CO bound to the active site cofactor after catalytic turnover. CO bridges iron ions Fe2 and Fe6, replacing sulfide S2B, in a binding mode that is in line with previous reports on the CO complex of molybdenum nitrogenase. We discuss the structural consequences of continued turnover when CO is removed, which involve the replacement of CO possibly by OH−, the movement of Q176D and K361D, the return of sulfide and the emergence of two additional water molecules that are absent in the CO‐bound state.
Heterogenized magnetic graphene oxide‐supported N6‐Schiff base Cu (II) complex as an exclusive nanocatalyst for synthesis of new pyrido[2,3‐d]pyrimidine‐7‐carbonitrile derivatives
Authors: Mahmoudi‐Gom Yek Samaneh , Azarifar Davood , Khaleghi‐Abbasabadi Masoud , Keypour Hassan , Mahmoudabadi Masoumeh
Published: September 2020

In this article, the synthesis of a novel and highly efficient recyclable and reusable heterogeneous nanocatalyst has been reported via the functionalizing of the Fe3O4‐magnetized graphene oxide nanosheets with the N6‐Schiff base Cu (II) complex (GO/Fe3O4@SPNC). The structure of this novel nanocatalyst was determined by different analytical techniques such as FTIR, FE‐SEM, TEM, TGA‐DTG, and VSM. The catalytic activity of the synthesized GO/Fe3O4@SPNC nanocatalyst was explored for the synthesis of several new 2H‐pyrido[3′,2′:6,7]pyrano[2,3‐d]pyrimidine‐7‐carbonitrile derivatives with excellent yields. All new derivatives were fully identified by various spectral (1H NMR, 13C NMR, FT‐IR, ESI‐MS) analyses. In addition, this nanocatalyst carried out satisfactory catalytic maintenance of activity and high chemical stability in the titled reactions after seven‐time of recycling without substantial loss of leaching.
Rheological properties of teak wood flour reinforced HDPE and maize starch composites
Authors: Biswas Kishor , Khandelwal Vinay , Nath Maiti Sourindra
Published: September 2020

Teak wood flour reinforced high density polyethylene and maize starch composites were prepared by using maleic anhydride grafted polyethylene as a compatibilizer. The mechanical properties (tensile and flexural) of all the composites increased after addition of 10%–40% teak wood flour into HDPE matrix. The complex viscosity (η*) was higher for all the composites at the low frequency, but decreased with increasing frequencies indicating a shear thinning behavior of the composites. The storage modulus and loss modulus increased for the composites compared to the HDPE at low frequencies. Damping factor peak of HDPE and composites showed high below 1 Hz, but the peak start decreasing with increasing above 1 Hz. The relaxation behavior of HDPE and the composites after incorporating teak wood flour, maize starch, and compatibilizer was obtained by Han plot. Biodegradability was enhanced with the incorporation of teak wood flour, maize starch into the composites. Appreciable water uptake and the thickness swelling for the composites indicating it's potential for interior, automobile and packaging applications.
Mechanically stable membranes of polyacrylic acid‐grafted chitosan‐functionalized carbon nanotubes with remarkable water storage capacity in sandy soils
Authors: Alsohaimi Ibrahim , Hafez Inas H. , Berber Mohamed R.
Published: September 2020

Polyacrylic acid (PAA) is one of the most exciting hydrophilic polymers for water control and conservation; however, it suffers from poor mechanical properties during the agricultural applications. For that purpose a series of PAA‐based multiwalled carbon nanotubes (MWCNTs) membranes have synthesized via a grafting process of MWCNTs using chitosan (CS) polymer as a binder. The fabricated membranes have spectroscopically characterized by different techniques to confirm the composite structure. The MWCNTs content into the PAA membranes has played a pronounced effect on water absorptivity, swelling behavior, and mechanical properties. PAA membrane has showed a fourfold increase in yield‐stress by the addition of 3 wt% PAA/CS/MWCNTs, while preserving a 91% of water absorptivity of PAA membrane. The soil applications of the PAA/CS/MWCNTs membranes have showed remarkable improvements in soil moisture content compared to the PAA membrane. This study provides a promising pathway for future field applications, especially in arid lands.
Study on performance characteristics of fused deposition modeling 3D‐printed composites by blending and lamination
Authors: Shi Xinjian , Chen Bicheng , Tuo Xiaohang , Gong Yumei , Guo Jing
Published: September 2020

Component contacting degree in a composite material is an important reference for evaluation the performance characteristics. In this article, two composite material systems involving polylactic acid (PLA) with acrylonitrile butadiene styrene (ABS) and PLA with thermoplastic polyurethane (TPU) were prepared by blending and laminating through fused deposition modeling (FDM) 3D printing technology. The mechanical and thermal properties of the as‐prepared composite materials were examined. The results indicated that PLA and TPU played a dominant role in tensile strength and breaking elongation, respectively, in individual composite material. ABS and TPU changed the glass transition peek, crystallinity, and modulus of PLA. The results also suggested that although the processing design of the blending method was more suitable for the contact between two components, but the mechanical properties of laminated composites were closer to theoretical predictions. The structural design and processing technology provide a comparative method and reference basis for studying the performance characteristics of composite materials.
Preparation and Photoluminescent Properties of Three 5‐Amino Benzothiadiazoles (5‐amBTDs)
Authors: Wang Zaibin , Wang Zhichao , Lu Ping , Wang Yanguang
Published: September 2020

Three D−A compounds were designed and synthesized based on a benzothiadiazole acceptor. Azepane (AP), iminodubenzyl (IDB) and iminostilbene (ISB) were used, respectively, as donors and installed on the 5‐position of BTD to afford 1, 2 and 3, respectively. Their photophysical properties in different states (solution, film, crystal, and powder) are systematically investigated. Among them, AIE‐active compounds 2 and 3 were found to have good sensitivity toward viscosity and display quite good linear relationship with an increase in viscosity. Compound 2 displayed dual emission in solutions which largely depended on the polarity of the solvent. Meanwhile, compound 2 exhibits a mechanochromic character with disappearance and reappearance of a dual‐emissive peak induced by mechanical grinding and solvent fuming. Furthermore, these three compounds can be used in the fabrication of blue OLED devices.
Assessment of contaminants in California drinking water by region and system size
Authors: Bangia Komal , August Laura , Slocombe Andrew , Faust John
Published: September 2020

In this California‐wide spatial analysis, a cumulative ranking method and a trend test were used to estimate and compare concentrations of 12 contaminants and two drinking water standard violations by system size and region. The San Joaquin Valley, areas not served by water systems, and small water systems (less than 200 connections) had the highest cumulative rank with many high levels of contaminants. Large systems and the South Coast had the highest levels of disinfection byproducts and industrial contaminants. Based on a trend analysis, violations and concentrations of arsenic and cadmium decreased as system size increased, while industrial contaminant concentrations and disinfection byproducts increased as system size increased (p < .05). Although not indicative of violating drinking water standards, this study's results demonstrate where efforts to address specific contaminants can be targeted by region or system type. The results can help elucidate where contaminants may be elevated, from both an individual and multiple‐contaminant perspective.
Designing High‐Performant Lithium Battery Electrolytes by Utilizing Two Natures of Li+ Coordination: LiTDI/LiTFSI in Tetraglyme
Authors: Jankowski Piotr , Andersson Rasmus , Johansson Patrik
Published: September 2020

Highly concentrated electrolytes (HCEs) based on glymes, such as tetraglyme (G4), are currently the focus of much battery research, primarily due to their unique properties – especially with respect to ion transport and electrochemical stability. While the LiTFSI‐G4 and LiTDI‐G4 systems both have been studied extensively, we here design their hybrid electrolytes to answer; will the resulting properties be averages/superpositions or will there be synergies created? We find the latter to be true and demonstrate that the most performant electrolytes are obtained by introducing a minor amount of LiTDI to an LiTFSI based electrolyte, which promotes the disproportionation and formation of “free” cations and at the same to avoid large aggregates – shown comprehensively both experimentally and by different modelling approaches and analyses combined. This electrolyte composition strategy can be generalized to other salts and solvents and thus a route towards a flora of novel battery electrolytes is here suggested.
Latest Advances for the Sleeping Beauty Transposon System: 23 Years of Insomnia but Prettier than Ever
Authors: Amberger Maximilian , Ivics Zoltán
Published: September 2020

The Sleeping Beauty transposon system is a nonviral DNA transfer tool capable of efficiently mediating transposition‐based, stable integration of DNA sequences of choice into eukaryotic genomes. Continuous refinements of the system, including the emergence of hyperactive transposase mutants and novel approaches in vectorology, greatly improve upon transposition efficiency rivaling viral‐vector‐based methods for stable gene insertion. Current developments, such as reversible transgenesis and proof‐of‐concept RNA‐guided transposition, further expand on possible applications in the future. In addition, innate advantages such as lack of preferential integration into genes reduce insertional mutagenesis‐related safety concerns while comparably low manufacturing costs enable widespread implementation. Accordingly, the system is recognized as a powerful and versatile tool for genetic engineering and is playing a central role in an ever‐expanding number of gene and cell therapy clinical trials with the potential to become a key technology to meet the growing demand for advanced therapy medicinal products.
Data‐driven in silico prediction of regulation heterogeneity and ATP demands of Escherichia coli in large‐scale bioreactors
Authors: Zieringer Julia , Wild Moritz , Takors Ralf
Published: September 2020

Escherichia coli exposed to industrial‐scale heterogeneous mixing conditions respond to external stress by initiating short‐term metabolic and long‐term strategic transcriptional programs. In native habitats, long‐term strategies allow survival in severe stress but are of limited use in large bioreactors, where microenvironmental conditions may change right after said programs are started. Related on/off switching of genes causes additional ATP burden that may reduce the cellular capacity for producing the desired product. Here, we present an agent‐based data‐driven model linked to computational fluid dynamics, finally allowing to predict additional ATP needs of Escherichia coli K12 W3110 exposed to realistic large‐scale bioreactor conditions. The complex model describes transcriptional up‐ and downregulation dynamics of about 600 genes starting from subminute range covering 28 h. The data‐based approach was extracted from comprehensive scale‐down experiments. Simulating mixing and mass transfer conditions in a 54 m3 stirred bioreactor, 120,000 E. coli cells were tracked while fluctuating between different zones of glucose availability. It was found that cellular ATP demands rise between 30% and 45% of growth decoupled maintenance needs, which may limit the production of ATP‐intensive product formation accordingly. Furthermore, spatial analysis of individual cell transcriptional patterns reveal very heterogeneous gene amplifications with hot spots of 50%–80% messenger RNA upregulation in the upper region of the bioreactor. The phenomenon reflects the time‐delayed regulatory response of the cells that propagate through the stirred tank. After 4.2 h, cells adapt to environmental changes but still have to bear an additional 6% ATP demand.
Modulation of behavioral responses and CA1 neuronal death by nitric oxide in the neonatal rat's hypoxia model
Authors: Ghotbeddin Zohreh , Basir Zahra , Jamshidian Javad , Delfi Farideh
Published: September 2020

Introduction

Neonatal hypoxia leads to cognitive and movement impairments that might persist throughout life. Hypoxia impairs hippocampal blood circulation and metabolism. The exact mechanisms underlying hypoxia‐induced memory impairment are not fully understood. Nitric oxide (NO) is a key neuromodulator that regulates cerebral blood flow. In this study, we aimed to evaluate the possible role of NO on behavioral and histomorphometric changes in the hippocampus following hypoxia in neonate rats.

Material and methods

Neonate male rats (n = 28) were randomly divided into 4 groups: control, hypoxia, hypoxia plus L‐NAME (20 mg/kg), and hypoxia plus L‐arginine (200 mg/kg). Drugs were injected intraperitoneally for seven consecutive days. Hypoxia was induced by keeping rats in a hypoxic chamber (7% oxygen and 93% nitrogen intensity). Ten to 14 days after hypoxia, behavioral changes were measured using a shuttle box, a rotarod, and an open field test. The histological changes in the hippocampus were measured using H&E and Nissl staining methods.

Results

Findings showed that hypoxia caused significant atrophy in the hippocampus. Furthermore, the administration of L‐NAME decreased the atrophy of the hippocampus in comparison with the hypoxic group. Behavioral results showed that hypoxia impaired memory performance and motor activity responses. Additionally, the administration of L‐NAME improved behavioral performance in a significant manner compared with the hypoxic group.

Conclusions

Hypoxia damaged the neurons of hippocampal CA1 region and induced memory impairment. The NOS inhibitor, L‐NAME, significantly attenuated the negative effects of hypoxia on behavior and observed changes in the hippocampus.
Adjuvant radiation therapy alone is associated with improved overall survival compared to hormonal therapy alone in older women with estrogen receptor positive early stage breast cancer
Authors: Jhawar Sachin R. , Alpert Naomi , Taioli Emanuela , Sayan Mutlay , Bazan Jose , Park Ko Un , Stover Daniel , Cherian Mathew , White Julia , Haffty Bruce , Ohri Nisha
Published: September 2020

Background

Breast conserving surgery (BCS) and adjuvant hormonal therapy (HT) without radiation therapy (RT) is an acceptable approach for older women with early stage, estrogen receptor (ER) positive breast cancer. Toxicity and compliance remain issues with HT. Adjuvant RT alone may have better compliance, but its efficacy in the absence of HT is unclear. We aim to assess patterns of adjuvant therapy and survival outcomes among older women with early stage, ER positive (ER+) breast cancer.

Methods

The National Cancer Data Base (NCDB) was used to identify 130,194 women age ≥65 years with invasive ER+, node negative breast cancer diagnosed between 2004 and 2015. All patients underwent BCS. Kaplan‐Meier survival curves were used to examine overall survival (OS). The association between adjuvant therapy and OS was assessed in multivariable Cox proportional hazards regression models.

Results

Unadjusted 5/10‐year OS rates were 90.0%/64.3% for HT and RT, 84.2%/54.9% for RT alone, 78.7%/44.5% for HT alone, and 71.6%/38.0% for no treatment; p<0.001 for all. Compared to HT alone, the 10‐year multivariable hazard ratio (HR) for death for RT alone was 0.86 (95% CI 0.82‐0.91). In propensity‐matched patients who received RT alone or HT alone (n=21,326), RT alone had significantly better survival at 5 (HRadj: 0.84) and 10 (HRadj: 0.87) years.

Conclusions

Older women with early stage ER+ breast cancer who undergo BCS and receive both HT and RT have the best survival, while RT as single‐modality therapy had higher rates of OS at 5 and 10 years compared to HT alone.
Did court stop college from enforcing suspension?
Authors: Lyerly Eric
Published: September 2020

The plaintiff, a senior at Vassar College, was the captain of the school's soccer team. In May 2019, a female classmate reported to the Title IX coordinator that the plaintiff attempted to coerce her into a sexual encounter after a party they both attended. She also claimed he had engaged in nonconsensual sexual touching of her body in violation of the school's Sexual Misconduct Policy.
Autonomic emotional responses to food: Private label brands versus National Brands
Authors: Rita Paulo , Guerreiro João , Omarji Muhamad
Published: September 2020

Private label brands (PLB) have been increasing both perceived quality and consumer acceptance in the last decades, which has compelled national brands (NBs) to invest in maintaining consumer confidence and preference. Recent economic crisis led consumers to become more price sensitive and more worried about cutting on daily needs, such as food consumption. However, taste is still one of the most important factor of decision for consumers regarding food products. Despite such importance of taste in decision‐making, most research on consumer senses still relies on traditional methods of surveying consumers, which are unable to measure the consumers' autonomic emotional reactions. The current paper uses a psychophysiological method to measure emotional arousal–electrodermal activity (EDA) and a self‐assessment manikin to measure pleasure. Emotions are then tested to assess their influence on perceived quality and willingness to buy (WTB). Findings show that NB are still perceived by consumers as superior, but consumers' WTB is not higher for NB. These results show that consumers' decisions are not always in favor of the product which is perceived to have a better quality which suggests that the “quality gap” is fading and the “branding gap” is gaining momentum.
Chemical Constituents from Citrus changshan‐huyou and Their Anti‐Inflammatory Activities
Authors: Hu Yu‐Hong , Liu Jin , Li Heng , Tang Wei , Li Xu‐Wen , Guo Yue‐Wei
Published: September 2020

A systematically chemical investigation of Citrus changshan‐huyou Y.B.Chang resulted in the isolation and structure determination of twelve known natural products, including limonoid, nootkatone, scoparone, β‐sitosterol, 3,3′,4′,5,6,7,8,‐heptamethoxyflavone, nobiletin, tangeretin, naringin, hesperidin, neohesperidin, 3,5‐dihydroxyphenyl β‐D‐glucoside, β‐sitosterol‐D‐glucoside. The structure modification of the most abundant compound limonin further led to eight limonoid derivatives, including epi‐limonol, epi‐limonyl acetate, and six new compounds epi‐limonol A, limonol A, limonol B, epi‐limonol B, epi‐limonol C, epi‐limonol D, which enlarged the chemical diversity of limonin related limonoids. The structures of the new limonoid derivatives were identified by extensive spectroscopic analysis. In bioassay, all the isolates, the semi‐synthetic derivatives and the previously isolated limonoids in our natural product library were subjected for anti‐inflammatory activities evaluation, and several limonoids exhibited the inhibition of TNF‐α release.
An Efficient Strategy for the Chemo‐Enzymatic Synthesis of Bufalin Glycosides with Improved Water Solubility and Inhibition against Na+, K+‐ATPase
Authors: Liu Yan , Xu Wei , Huang Zhao‐He , Guo Jun , Jiang Ren‐Wang
Published: September 2020

In this study, bufalin was glycosylated by an efficient chemo‐enzymatic strategy. Firstly, 2‐chloro‐4‐nitrophenyl‐1‐O‐β‐D‐glucoside (sugar donors) was obtained by chemical synthesis. Then, the glycosylation of the bufalin was achieved with the synthesized sugar donor under the catalysis of two glycosyltransferases (Loki and ASP). Finally, two glycosides, i. e., bufalin‐3‐O‐β‐D‐glucopyranoside and bufalin‐3‐O‐[β‐D‐glucopyranosyl‐(1→2)‐β‐D‐glucopyranoside)], were obtained by preparative HPLC. Compared to our previously reported sole chemical (total yield 10 % in four steps) or enzymatic methods (30 %), our combined chemo‐enzymatic strategy in this article greatly improves the yields of monoglycoside (68 %) and diglycoside (21 %) and decreased the experimental cost (90 %). Furthermore, we tested the water solubility of these glycosides and found that the water solubilities of the two glycosides were 13.1 and 53.7 times of bufalin, respectively. In addition, the inhibitory activity of these glycosides against Na+, K+‐ATPase were evaluated. The mono‐glycosylated compound showed more potent activity than bufalin, while the diglycosylated compound was less potent.
In vivo Targeting of DNA Vaccines to Dendritic Cells via the Mannose Receptor Induces Long‐Lasting Immunity against Melanoma
Authors: Moku Gopikrishna , Vangala Swathi , Gulla Suresh Kumar , Yakati Venu
Published: September 2020

Herein, we report effective, C‐type lectin mannose receptor (MR)‐selective, in vivo dendritic cell (DC)‐targeting lipid nanoparticles (LNPs) of a novel lipid‐containing mannose‐mimicking di‐shikimoyl‐ and guanidine head group and two n‐hexadecyl hydrophobic tails (DSG). Subcutaneous administration of LNPs of the DSG/p‐CMV‐GFP complex showed a significant expression of green fluorescence protein in the CD11c+ DCs of the neighboring lymph nodes compared to the control LNPs of the BBG/p‐CMV‐GFP complex. Mannose receptor‐facilitated in vivo DC‐targeted vaccination (s.c.) with the electrostatic complex of LNPs of DSG/pCMV‐MART1 stimulated long‐lasting (270 days post B16F10 tumor challenge) antimelanoma immunity under prophylactic conditions. Remarkably, under therapeutic settings, vaccination (s.c.) with LNPs of the DSG/pCMV‐MART1 complex significantly delayed melanoma growth and improved the survival of mice with melanoma. These findings demonstrate that this nonviral delivery system offers a resilient and potential approach to deliver DNA vaccines encoding tumor antigens to DCs in vivo with high efficacy.
Engineering of Thermostable β‐Hydroxyacid Dehydrogenase for the Asymmetric Reduction of Imines
Authors: Stockinger Peter , Schelle Luca , Schober Benedikt , Buchholz Patrick C. F. , Pleiss Jürgen , Nestl Bettina M.
Published: September 2020

The β‐hydroxyacid dehydrogenase from Thermocrinus albus (Ta‐βHAD), which catalyzes the NADP+‐dependent oxidation of β‐hydroxyacids, was engineered to accept imines as substrates. The catalytic activity of the proton‐donor variant K189D was further increased by the introduction of two nonpolar flanking residues (N192 L, N193 L). Engineering the putative alternative proton donor (D258S) and the gate‐keeping residue (F250 A) led to a switched substrate specificity as compared to the single and triple variants. The two most active Ta‐βHAD variants were applied to biocatalytic asymmetric reductions of imines at elevated temperatures and enabled enhanced product formation at a reaction temperature of 50 °C.
Anesthetic management of a neonate with an intrapericardial teratoma: a case report
Authors: Lu‐Boettcher Ying E. , Koppera Prabhat , Riegger Lori Q.
Published: September 2020

Intrapericardial teratomas can exert mass effect on the cardiovascular and respiratory system. Adequate volume resuscitation and anticipation of cardiopulmonary collapse is paramount in the management of these patients in the operating room.
Hydrocarbon and Soot Oxidation over Cerium and Iron Doped Vanadium SCR Catalysts
Authors: Zheng Lei , Zimina Anna , Casapu Maria , Grunwaldt Jan‐Dierk
Published: September 2020

V2O5−WO3/TiO2 (VWTi) catalysts are widely employed for selective catalytic reduction (SCR) of NOx. However, due to their poor thermal stability the application in diesel particulate filters (DPFs), i. e. 2‐way SCRonDPF is limited. In this study, the potential of Ce‐ and Fe‐doped VWTi systems for hydrocarbon and soot oxidation in addition to the SCR activity was systematically investigated for fresh and thermally aged samples. The formation of metal vanadates upon thermal aging, as identified by X‐ray diffraction, Raman and X‐ray adsorption spectroscopy, prevents drastic sintering of the support and maintains a high NOx−SCR and hydrocarbon oxidation activity. Additionally, the doped VWTi catalysts show a slight increase of the CO2 selectivity during hydrocarbon oxidation, which represents an important aspect for such multifunctional catalysts. Despite of the advantages, the formation of metal vanadates hinders the mobility of vanadium species and decreases the soot oxidation ability of the doped catalysts. Interestingly, a promising soot oxidation activity was identified for the VWTi−Fe sample after aging at 650 °C, which resulted in decomposition of the iron vanadate and generation of highly dispersed and mobile V2O5.
Catalytic Asymmetric Intermolecular Radical Aminotrifluoromethylation of Alkenes with Hydrazines by Cu(I)/CPA Cooperative Catalysis
Authors: Wang Zhe , Cheng Jiang‐Tao , Shi Zhichao , Wang Na , Zhan Feng , Jiang Sheng‐Peng , Lin Jin‐Shun , Jiang Yuyang , Liu Xin‐Yuan
Published: September 2020

A first catalytic enantioselective intermolecular radical aminotrifluoromethylation of alkene with hydrazine and Togni's reagent by Cu(I)/CPA cooperative catalysis has been reported, accessing diversely substituted CF3‐containing enantioenriched diarylmethylamines bearing an α‐tertiary stereocenter with high enantioselectivity and excellent chemoselectivity. The highly asymmetric induction of C−N bond formation between hydrazine and the carbocation intermediate was achieved by using a CPA catalyst via hydrogen‐bonding and ion pair interaction.
A Liu estimator for the beta regression model and its application to chemical data
Authors: Karlsson Peter , Månsson Kristofer , Kibria B.M. Golam
Published: September 2020

Beta regression has become a popular tool for performing regression analysis on chemical, environmental, or biological data in which the dependent variable is restricted to the interval [0, 1]. For the first time, in this paper, we propose a Liu estimator for the beta regression model with fixed dispersion parameter that may be used in several realistic situations when the degree of correlation among the regressors differs. First, we show analytically that the new estimator outperforms the maximum likelihood estimator (MLE) using the mean square error (MSE) criteria. Second, using a 'simulation study, we investigate the properties in finite samples of six different suggested estimators of the shrinkage parameter and compare it with the MLE. The simulation results indicate that in the presence of multicollinearity, the Liu estimator outperforms the MLE uniformly. Finally, using an empirical application on chemical data, we show the benefit of the new approach to applied researchers.
What's in an Atom? A Comparison of Carbon and Silicon‐Centred Amidinium⋅⋅⋅Carboxylate Frameworks**
Authors: Boer Stephanie A. , Yu Li‐Juan , Genet Tobias L. , Low Kaycee , Cullen Duncan A. , Gardiner Michael G. , Coote Michelle L. , White Nicholas G.
Published: September 2020

Despite their apparent similarity, framework materials based on tetraphenylmethane and tetraphenylsilane building blocks often have quite different structures and topologies. Herein, we describe a new silicon tetraamidinium compound and use it to prepare crystalline hydrogen bonded frameworks with carboxylate anions in water. The silicon‐containing frameworks are compared with those prepared from the analogous carbon tetraamidinium: when biphenyldicarboxylate or tetrakis(4‐carboxyphenyl)methane anions were used similar channel‐containing networks are observed for both the silicon and carbon tetraamidinium. When terephthalate or bicarbonate anions were used, different products form. Insights into possible reasons for the different products are provided by a survey of the Cambridge Structural Database and quantum chemical calculations, both of which indicate that, contrary to expectations, tetraphenylsilane derivatives have less geometrical flexibility than tetraphenylmethane derivatives, that is, they are less able to distort away from ideal tetrahedral bond angles.
Jahrestagungen for Future – im Cyberspace
Authors: Rübberdt Kathrin
Published: September 2020

Ort der gemeinsamen ProcessNet‐Jahrestagung und Dechema‐Jahrestagung der Biotechnologen: https://dechema.de/JT2020.html