bluuebunny/crossref_metadata_2025 huggingface dataset:
Let's Talk About Sex—Biological Sex Is Underreported in Biomaterial Studies
Authors: James Bryan D. , Guerin Paxton , Allen Josephine B.
Published: October 2020

Precision medicine aims to better individualize healthcare. It requires that biomaterials be designed for the physiological characteristics of a specific patient. To make this a reality, biomaterials research and development must address differences of biological sex. More specifically, biomaterials should be designed with properties optimized and appropriate for male and female patients. In analyzing research articles from seven prominent biomaterials journals, sex as a biological variable is missing from an overwhelming majority of in vitro biomaterial studies. From the survey, the reporting of the sex of primary cell cultures happened only 10.3% of the time. Contributing to this trend is that commercial vendors bias cell lines toward one sex or another by not disclosing information of cell line sex at the time of purchase; researchers do not communicate this pertinent information in published studies; and many journal policies have little to no requirements for reporting cell line characteristics. Omitting this valuable information leads to a gap in the understanding of sex‐specific cell‐biomaterial interactions and it creates a bias in research findings towards one sex or another. To curb this concerning trend and make precision biomaterials a reality will require the biomaterials field to “talk about sex” by reporting cell sex more broadly.
Bloch Lines Constituting Antiskyrmions Captured via Differential Phase Contrast
Authors: Yasin Fehmi S. , Peng Licong , Takagi Rina , Kanazawa Naoya , Seki Shinichiro , Tokura Yoshinori , Yu Xiuzhen
Published: October 2020

Much scientific capital has been directed toward exotic magnetic spin textures called Bloch lines, that is, Néel‐type line boundaries within domain walls, because their geometry promises high‐density magnetic storage. While predicted to arise in high‐anisotropy magnets, bulk soft magnets, and thin films with in‐plane magnetization, Bloch lines also constitute magnetic antiskyrmions, that is, topological antiparticles of skyrmions. Most domain walls occur as Bloch‐type or Néel‐type, in which the magnetization rotates parallel or perpendicular to the domain wall across its profile, respectively. The Bloch lines’ Néel‐type rotation and their minute size make them difficult to directly measure. This work utilizes differential phase contrast (DPC) scanning transmission electron microscopy (STEM) to measure the in‐plane magnetization of Bloch lines within antiskyrmions emergent in a non‐centrosymmetric Heusler magnet with D2d symmetry, Mn1.4Pt0.9Pd0.1Sn, in addition to Bloch‐type skyrmions in an FeGe magnet with B20‐type crystal structure to benchmark the DPC technique. Both in‐focus measurement and identification of Bloch lines at the antiskyrmion's corners are provided.
Fractal Web Design of a Hemispherical Photodetector Array with Organic‐Dye‐Sensitized Graphene Hybrid Composites
Authors: Lee Eun Kwang , Baruah Ratul Kumar , Leem Jung Woo , Park Woohyun , Kim Bong Hoon , Urbas Augustine , Ku Zahyun , Kim Young L. , Alam Muhammad Ashraful , Lee Chi Hwan
Published: October 2020

The vision system of arthropods consists of a dense array of individual photodetecting elements across a curvilinear surface. This compound‐eye architecture could be a useful model for optoelectronic sensing devices that require a large field of view and high sensitivity to motion. Strategies that aim to mimic the compound‐eye architecture involve integrating photodetector pixels with a curved microlens, but their fabrication on a curvilinear surface is challenged by the use of standard microfabrication processes that are traditionally designed for planar, rigid substrates (e.g., Si wafers). Here, a fractal web design of a hemispherical photodetector array that contains an organic‐dye‐sensitized graphene hybrid composite is reported to serve as an effective photoactive component with enhanced light‐absorbing capabilities. The device is first fabricated on a planar Si wafer at the microscale and then transferred to transparent hemispherical domes with different curvatures in a deterministic manner. The unique structural property of the fractal web design provides protection of the device from damage by effectively tolerating various external loads. Comprehensive experimental and computational studies reveal the essential design features and optoelectronic properties of the device, followed by the evaluation of its utility in the measurement of both the direction and intensity of incident light.
Black Phosphorus: Degradation Mechanism, Passivation Method, and Application for In Situ Tissue Regeneration
Authors: Peng Ling , Abbasi Nasir , Xiao Yao , Xie Zhongjian
Published: October 2020

Nanomaterials have attracted ever‐increasing interest in tissue regeneration in the past few decades. As an emerging 2D layered nanomaterial, black phosphorus shows more promising potentials in organism restoration than other 2D materials, attributed to its extraordinary biodegradation ability, remarkable optical properties, and high payload of drugs and agents. The degradation products, i.e., phosphate, can be adsorbed by tissues for specific regeneration such as bone, yet the excessive degradation rate of black phosphorus will reduce its application performance and hazard the biological safety. First, a solid overview of the research topic about the balance between the degradation and stability of black phosphorus is provided. For this purpose, the recent research works on the degradation mechanism, and the passivation methods from both physical and chemical aspects are in detail summarized. In the next part, the biosafety of black phosphorus is compared with the biosafety of other 2D materials, and the latest research studies of black phosphorus used for tissue regeneration are provided. At last, the current challenges of black phosphorus are put forward; therefore, its future development direction and research focus applied in the field of tissue regeneration in vivo are derived.
Organic Bioelectronics: Using Highly Conjugated Polymers to Interface with Biomolecules, Cells, and Tissues in the Human Body
Authors: Higgins Stuart G. , Lo Fiego Alessandra , Patrick Ijeoma , Creamer Adam , Stevens Molly M.
Published: October 2020

Conjugated polymers exhibit interesting material and optoelectronic properties that make them well‐suited to the development of biointerfaces. Their biologically relevant mechanical characteristics, ability to be chemically modified, and mixed electronic and ionic charge transport are captured within the diverse field of organic bioelectronics. Conjugated polymers are used in a wide range of device architectures, and cell and tissue scaffolds. These devices enable biosensing of many biomolecules, such as metabolites, nucleic acids, and more. Devices can be used to both stimulate and sense the behavior of cells and tissues. Similarly, tissue interfaces permit interaction with complex organs, aiding both fundamental biological understanding and providing new opportunities for stimulating regenerative behaviors and bioelectronic based therapeutics. Applications of these materials are broad, and much continues to be uncovered about their fundamental properties. This report covers the current understanding of the fundamentals of conjugated polymer biointerfaces and their interactions with biomolecules, cells, and tissues in the human body. An overview of current materials and devices is presented, along with highlighted major in vivo and in vitro applications. Finally, open research questions and opportunities are discussed.
Multi‐Band Tunable Chiral Metamaterial for Asymmetric Transmission and Absorption of Linearly Polarized Electromagnetic Waves
Authors: Huang Chen Xi , Zhang Jing Jing , Wu Lin , Zhang Cheng , Yang Jin , Yang Liu Xi , Ke Jun Chen , Bai Lin , Cheng Qiang , Cui Tie Jun
Published: October 2020

Due to the importance of chiral materials in realizing many exotic phenomena, a chiral metamaterial incorporated with active components of PIN diodes for the flexible control of asymmetric transmission (AT) of linearly polarized electromagnetic (EM) waves at microwave frequency is proposed. A transfer‐matrix approach and full‐wave simulations for cascading anisotropic impedance sheets is applied to analyse the physical mechanism of the structure, enabling the device with optimal multi‐band AT effect. The experimental results demonstrate that the robust real‐time controls of polarization conversion and AT effect for the linearly polarized waves can be achieved by altering the applied biasing voltage, giving rise to the tunability in three frequency bands of 9–10.5 GHz, 11–11.8 GHz, and 12.2–12.8 GHz. Furthermore, the tunable absorption can also be achieved, making it a good candidate in intelligent EM systems.
The Mobile and Pinned Grain Boundaries in 2D Monoclinic Rhenium Disulfide
Authors: Zheng Fangyuan , Huang Lingli , Wong Lok‐Wing , Han Jin , Cai Yuan , Wang Ning , Deng Qingming , Ly Thuc Hue , Zhao Jiong
Published: October 2020

In bulk crystals, the kinetics of dislocations is usually hindered by the twining boundaries (TB) or grain boundaries (GB), rendering the well‐known grain boundary strengthening effects. Nevertheless, here it is found that in 2D rhenium disulfide (ReS2), twinning is much easier than dislocation slip. Consequently, the highly mobile TBs or GBs are inversely pinned by the relatively immobile dislocations. Due to the strong in‐plane covalent bonding, the GBs in high‐symmetry 2D materials such as graphene which consists of defects are immobile at room temperature. In contrast, in monoclinic 2D ReS2 several types of GBs (including TBs) can be readily generated and driven by mechanical loading. A complete library of the GBs in 2D ReS2 is established by the (in situ) atomic‐scale transmission electron microscopy (TEM) characterizations and density functional theory (DFT) calculations. The twinning (shear) stresses for 2D ReS2 are estimated as low as 4–30 MPa, one or two orders of magnitude lower than the traditional bulk materials. Full elucidation on the GB structures and especially the intriguing GB kinetics in such anisotropic 2D materials are of fundamental importance to understand the structure–property relationships and develop strain‐tunable applications for 2D materials in future.
Recent Progress in Designing Stable Composite Lithium Anodes with Improved Wettability
Authors: Zheng Zi‐Jian , Ye Huan , Guo Zai‐Ping
Published: October 2020

Lithium (Li) is a promising battery anode because of its high theoretical capacity and low reduction potential, but safety hazards that arise from its continuous dendrite growth and huge volume changes limit its practical applications. Li can be hosted in a framework material to address these key issues, but methods to encage Li inside scaffolds remain challenging. The melt infusion of molten Li into substrates has attracted enormous attention in both academia and industry because it provides an industrially adoptable technology capable of fabricating composite Li anodes. In this review, the wetting mechanism driving the spread of liquefied Li toward a substrate is discussed. Following this, various strategies are proposed to engineer stable Li metal composite anodes that are suitable for liquid and solid‐state electrolytes. A general conclusion and a perspective on the current limitations and possible future research directions for constructing composite Li anodes for high‐energy lithium metal batteries are presented.
Estimating economic minimums of mowing, fertilizing, and irrigating turfgrass
Authors: Soldat Douglas J. , Brosnan James T. , Chandra Ambika , Gaussoin Roch E. , Kowalewski Alec , Leinauer Bernd , Rossi Frank S. , Stier John C. , Unruh J. Bryan
Published: October 2020

The public health crisis and economic recession caused by the COVID‐19 pandemic have forced turfgrass industry professionals to re‐evaluate standard practices. Minimum costs required to fertilize, irrigate, and mow turfgrasses can be roughly estimated using climate data, turfgrass physiology information, and resource costs. Although the actual minimum costs vary situationally and regionally, mowing golf putting greens optimally requires about US$34 per acre per month, whereas other turfgrass areas cost less than US$11 per acre per growing month. Fertilizer applications to turfgrass cost US$22 or less per acre per growing month. Irrigation costs (water and electricity for pumping) vary widely, with the least expensive regions requiring ∼US$300 per acre per year compared with 12 times more than that total in other parts of the United States.
Fabrication of Flexible Resistive Switching Devices Based on Lead‐Free All‐Inorganic CsSnBr3 Perovskite Using a One‐Step Chemical Vapor Deposition Method
Authors: Wang Hongjun , Lin Jiaquan , Zhu Yuanyuan , Zeng Xiong , Wei Hong , Cheng Pengwei , Lu Hongbing , Liu Yong , Xiong Rui
Published: October 2020

Resistive switching (RS) devices have evolved as one of the most promising candidates in the memory filed due to their excellent endurance and retention, fast switching speed, and extra‐high storage density capability. However, the coexistence of toxic lead cations and low RS performance have largely limited the application of halide perovskite in nonvolatile memory filed. Herein, the lead‐free all‐inorganic perovskite CsSnBr3 films are synthesized on flexible polyimide (PI) substrates through a one‐step chemical vapor deposition (CVD) method to construct environmentally friendly RS devices. The RS devices with Pt/CsSnBr3/Pt/PI structure exhibit reliable and reproducible bipolar RS characteristics with an ultralow set/reset voltage (≈0.2/−0.15 V) and a high on/off ratio (≈105). Additionally, the RS devices are further tested by robust current–voltage curves under consecutive flexing cycles, exhibiting high mechanical bendability and electrical reliability. This work demonstrates that lead‐free all‐inorganic perovskite CsSnBr3 film is a good candidate as switching media for applications in the next‐generation environmentally friendly RS devices and opens an avenue for future flexible electronics.
Rechargeable Battery Electrolytes Capable of Operating over Wide Temperature Windows and Delivering High Safety
Authors: Lin Xidong , Zhou Guodong , Liu Jiapeng , Yu Jing , Effat Mohammed B. , Wu Junxiong , Ciucci Francesco
Published: October 2020

Li‐ion batteries (LIBs) are the energy storage systems of choice for portable electronics and electric vehicles. Due to the growing deployment of energy storage solutions, LIBs are increasingly required to function safely and steadily over a broad range of operational conditions. However, the conventional electrolytes used in LIBs will malfunction when the temperatures fall below zero or elevate above 60 °C. Further, conventional electrolytes are toxic and flammable, leading to severe safety risks, especially in the case of an accident or overheating. Therefore, an ever‐growing body of research has been dedicated to the development of electrolytes characterized by high ionic conductivity, excellent electrochemical stability, and operability over a wide temperature range. In this Progress Report, the optimization of liquid‐based electrolytes achieved by controlling Li salts, functional additives, and solvents is discussed first. Next, gel‐polymer and all‐solid‐state electrolytes (i.e., ceramics, polymers, and their composites) are presented. Examples of advanced batteries (Li/Na/Zn‐ion batteries and Li‐metal batteries) capable of working over a broad temperature window are highlighted. Morever, recent computational studies aimed at designing and understanding electrolytes are reviewed. Finally, challenges and perspectives regarding emerging electrolyte materials are proposed with the goal of triggering the further development of high‐performance, safe, and wide‐temperature‐operating electrolytes.
Na‐Ion Batteries—Approaching Old and New Challenges
Authors: Goikolea Eider , Palomares Verónica , Wang Shijian , de Larramendi Idoia Ruiz , Guo Xin , Wang Guoxiu , Rojo Teofilo
Published: October 2020

The last 10 years established the beginning of a post‐lithium era in the field of energy storage, with the renaissance of Na‐ion batteries (NIBs) as alternative for Li‐based systems. The development of this technology has required intense work in materials research in order to produce and optimize anodes, cathodes, and electrolytes for NIBs. The strong and weak points of the main families of compounds for each battery component are analyzed in this progress report. Taking into account the achievements made in materials for NIBs, the industrial scene is analyzed through the existing prototypes and commercial cells and also from an economical viewpoint. In this scenario, where Na‐ion technology seems to be ready for a coming second generation, the use of Na can be extended to almost the whole spectrum of electrochemical energy storage systems: the new room temperature Na–S systems, high‐energy Na–air technology, or high‐power Na‐based hybrid supercapacitors. Thus, the degree of development of NIBs, together with the promising performance of newer Na‐based energy storage systems, makes Na the key to the coming commercial post‐lithium systems.
If You Build Them… Will it Matter? Food Stores' Presence and Perceived Barriers to Purchasing Healthy Foods in the Northeastern U.S.
Authors: Chenarides Lauren , Bonanno Alessandro , Palmer Anne
Published: October 2020

Policies incentivizing store entry or store improvements are aimed at increasing access to healthy foods; however, findings about their effectiveness to improve diets are mixed. Similarly, little is known about whether food stores' presence affects consumers' perceived barriers to purchasing healthy foods, which reflect the subjective hardships experienced by shoppers to purchase and consume healthier foods. In this study, we assess the relationship between the two most widely studied perceived barriers to purchasing healthy foods (price and availability) and the local retail food environment using individual‐level survey data collected across the northeastern US and census data on the numbers of grocery stores and warehouse clubs and supercenters. Our results indicate that unobserved heterogeneity plays an important role in determining the sign and magnitude of the relationship between store presence and perceptions. The likelihood that an individual cites price or availability as a perceived barrier depends upon the barrier considered, whether respondents live in the zip code where they shop, and the method of controlling for unobserved heterogeneity. Thus, policies focusing on improving access to a given store type may only mitigate some of the negative perceptions associated with one's food environment.
Insight into the Ferrier Rearrangement by Combining Flash Chemistry and Superacids
Authors: Bhuma Naresh , Lebedel Ludivine , Yamashita Hiroki , Shimizu Yutaka , Abada Zahra , Ardá Ana , Désiré Jérôme , Michelet Bastien , Martin‐Mingot Agnès , Abou‐Hassan Ali , Takumi Masahiro , Marrot Jérôme , Jiménez‐Barbero Jesús , Nagaki Aiichiro , Blériot Yves , Thibaudeau Sébastien
Published: October 2020

The transformation of glycals into 2,3‐unsaturated glycosyl derivatives, reported by Ferrier in 1962, is supposed to involve an α,β unsaturated glycosyl cation, an elusive ionic species that has still to be observed experimentally. Herein, while combination of TfOH and flow conditions failed to observe this ionic species, its extended lifetime in superacid solutions allowed its characterization by NMR‐based structural analysis supported by DFT calculations. This allyloxycarbenium ion was further exploited in the Ferrier rearrangement to afford unsaturated nitrogen‐containing C‐aryl glycosides and C‐alkyl glycosides under superacid and flow conditions, respectively.
Alternative Oxidants for the Catalytic Oxidative Coupling of Methane
Authors: Arinaga Allison M. , Ziegelski Morgan C. , Marks Tobin J.
Published: October 2020

The catalytic oxidative coupling of methane (OCM) to C2 hydrocarbons with oxygen (O2‐OCM) has garnered renewed worldwide interest in the past decade due to the emergence of enormous new shale gas resources. However, the C2 selectivity of typical OCM processes is significantly challenged by overoxidation to COx products. Other gaseous reagents such as N2O, CO2, and S2 have been investigated to a far lesser extent as alternative, milder oxidants to replace O2. Although several authoritative review articles have summarized OCM research progress in depth, recent oxidative coupling developments using alternative oxidants (X‐OCM) have not been overviewed in detail. In this perspective, we review and analyze OCM research results reporting the implementation of N2O, CO2, S2, and other non‐O2 oxidants, highlighting the unique chemistries of these systems and their advantages/challenges compared to O2‐OCM. Current outlook and potential areas for future study are also discussed.
Divalent manganese, cobalt, copper and cadmium complexes of (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid: Preparation, characterization, computational and biological studies
Authors: Majeed Abdulnasir A. , Khalil Mostafa M.H. , Fetoh Ahmed , Abdel Aziz Ayman A. , Abu El‐Reash G.M.
Published: October 2020

In this work, (Z)‐N‐benzoyl‐N′‐(1H‐1,2,4‐triazol‐3‐yl)carbamimidothioic acid and its Mn(II), Co(II), Cu(II) and Cd(II) complexes were introduced for the first time. This carbonyl thiourea ligand was prepared by the reaction of 1H‐1,2,4‐triazol‐3‐amine with benzoyl isothiocyanate. The structural elucidation of these compounds was performed using elemental analysis and spectral and magnetic measurements. Octahedral structures of all complexes, except Cd(II) complex with a tetrahedral geometry, were confirmed by applying DFT structural optimization. The thermal decomposition behaviour of metal complexes of carbonyl thiourea ligand is discussed. The calculation of kinetic parameters for prepared complexes (Ea, A, ΔH*, ΔS* and ΔG*) of all thermal degradation stages has been evaluated using two comparable approaches. Antimicrobial and ABTS‐antioxidant studies indicated potent activity of Cd(II) complex compared with the other investigated compounds. The cytotoxic activity of the prepared compounds was investigated in vitro. The results indicated potent activity of Mn(II) complex against both HePG2 (liver carcinoma) and MCF‐7 (breast carcinoma) cancer cells.
Engineered polysaccharide alpha‐1,3 glucan asisocyanate‐reactivecomponent in viscoelastic polyurethane foams
Authors: Lenges Christian , Behabtu Natnael , Mok Jorge , Sendijarevic Ibrahim , Sendijarevic Aisa
Published: October 2020

Enzymatic polymerization is emerging as scalable method to convert sucrose to engineered polysaccharides. Polymer architecture and material properties can be controlled selectively to produce novel differentiated biomaterials. One first example for such an engineered polysaccharide is alpha‐1,3‐polyglucose (alpha‐1,3‐glucan) synthesized using glucosyltransferase (GTF) enzymes. Stable dispersions of alpha‐1,3‐glucan in polyether polyols were prepared with narrow particle size distributions, which are reactive with isocyanate allowing for covalent bonding to the hard segment of the polyurethane polymer matrix. This study further explored the use of alpha‐1,3‐glucan (PS) in the preparation of viscoelastics (VE) polyurethane foams. The introduction of alpha‐1,3‐glucan into the polyurethane polymer matrix was found to increase the load‐bearing properties of VE foams without impacting the density. Other key performance properties of VE foams were effectively unchanged, including resilience, tensile, and tear strength. Cell size and morphology were also unaffected. The glass transition of these VE foams was not impacted; however, the overall thermal dimensional stability was improved as considerable reduction in compression set was observed. The results of this study indicated that alpha‐1,3‐glucan disperses in polyether polyols to improve performance characteristics of the VE foams, as well as other flexible polyurethane foams properties.
Poly(ethylene terephthalate)‐based nanocomposite films as greenhouse covering material: Environmental sustainability, mechanical durability, and thermal stability
Authors: Bahramian Alireza
Published: October 2020

The environmental sustainability, mechanical durability, and thermal stability of the poly(ethylene terephthalate) (PET)‐based nanocomposite films compared with pure PET were evaluated. The samples were obtained by incorporating 2 wt% of TiO2, SiO2, ZnO nanoparticles (NPs), and an equal mixture of NPs in polymer by melt‐mixing in a twin‐screw extruder. The mechanical properties and hardness of samples were determined by the tensile and the atomic force microscopy‐based nanoindentation tests. The melting, crystallization, and glass transition temperatures of samples were studied by dynamic mechanical thermal analysis and differential scanning calorimetry. The effects of compatibility, dispersity, and hydrophobicity of NPs on the surface morphology, crystallinity, and thermomechanical properties of nanocomposites were studied. The interaction of SiO2NPs with PET chains had a promising effect on the surface morphology, high elastic modulus, dispersibility, crystallinity, and thermostability of the sample. The mixing of ZnO and TiO2NPs improved the UV‐blocking effects, and photostability, while the SiO2and TiO2NPs maintained the thermal properties of the film against UV radiation. The resulting film could be a good candidate as a greenhouse covering material due to its suitable photosynthetically active radiation transmittance.
An oil‐contamination‐resistant PVP/PAN electrospinning membrane for high‐efficient oil–water mixture and emulsion separation
Authors: Meng Haitao , Xu Tong , Gao Mingyuan , Bai Jie , Li Chunping
Published: October 2020

Oil–water separation is an urgent issue due to the frequently occurred oil leakages and increasing discharge of oily wastewater. The pollutional and wastewater can not only damage the environment, but endanger human health. Owing to the small particle size of the oil contamination, it is still a challenge for the separation of oil–water emulsion. In this study, we developed a facile strategy to prepare a hydrophilic polyvinylpyrrolidone/polyacrylonitrile (PVP/PAN) nanofibrous membrane for oil–water mixture and emulsion separation. The lowest water contact angle on the membrane surface can achieve 16.7°, thus the membranes can effectively resist the oil contamination on them. Moreover, the membrane can efficiently separate oil–water mixtures and emulsion by gravity. In addition, it can separate oil–water mixtures in harsh conditions (pH = 1 and 14). Membranes prepared in this work would hold a great potential in the practical use of water treatment and environmental industry.
Synthesis of benzamide derivatives with thiourea‐substituted benzenesulfonamides as carbonic anhydrase inhibitors
Authors: Tugrak Mehtap , Gul Halise Inci , Demir Yeliz , Gulcin Ilhami
Published: October 2020

The novel compounds with the chemical structure of N‐({4‐[N′‐(substituted)sulfamoyl]phenyl}carbamothioyl)benzamide (1a–g) and 4‐fluoro‐N‐({4‐[N′‐(substituted)sulfamoyl]phenyl}carbamothioyl)benzamide (2a–g) were synthesized as potent and selective human carbonic anhydrase (hCA) I and hCA II candidate inhibitors. The aryl part was changed to sulfacetamide, sulfaguanidine, sulfanilamide, sulfathiazole, sulfadiazine, sulfamerazine, and sulfametazine. The Ki values of compounds 1a–g were in the range of 20.73 ± 4.32 to 59.55 ± 13.07 nM (hCA I) and 5.69 ± 0.43 to 44.81 ± 1.08 nM (hCA II), whereas the Ki values of compounds 2a–g were in the range of 13.98 ± 2.57 to 75.74 ± 13.51 nM (hCA I) and 8.15 ± 1.5 to 49.86 ± 6.18 nM (hCA II). Comparing the Ki values of the final compounds and acetazolamide, compound 1c with the sulfanilamide moiety (Ki = 5.69 ± 0.43 nM, 8.8 times) and 2f with the sulfamerazine moiety (Ki = 8.15 ± 1.5 nM, 6.2 times) demonstrated promising and selective inhibitory effects against the hCA II isoenzyme, the main target protein in glaucoma. Furthermore, compounds 1d (Ki = 20.73 ± 4.32, 4 times) and 2d (Ki = 13.98 ± 2.57, 5.9 times), which have the sulfathiazole moiety, were found as potent hCA I inhibitors. Compounds 1c and 2f can be considered as the lead compounds determined in the present study, which can be investigated further to alleviate glaucoma symptoms.
Efficacy and Safety of Guselkumab, an Interleukin‐23p19–Specific Monoclonal Antibody, Through One Year in Biologic‐Naive Patients With Psoriatic Arthritis
Authors: McInnes Iain B. , Rahman Proton , Gottlieb Alice B. , Hsia Elizabeth C. , Kollmeier Alexa P. , Chakravarty Soumya D. , Xu Xie L. , Subramanian Ramanand A. , Agarwal Prasheen , Sheng Shihong , Jiang Yusang , Zhou Bei , Zhuang Yanli , van der Heijde Désirée , Mease Philip J.
Published: October 2020

Objective

Guselkumab, a human monoclonal antibody specific to interleukin‐23p19, demonstrated efficacy and safety versus placebo through week 24 of the phase III DISCOVER‐2 trial in biologic‐naive patients with psoriatic arthritis (PsA). Here we report 1‐year DISCOVER‐2 findings.

Methods

Adults with active PsA (≥5 swollen and ≥5 tender joints; C‐reactive protein level ≥0.6 mg/dl) despite standard nonbiologic treatment were randomized to receive subcutaneous injections of guselkumab 100 mg every 4 weeks, guselkumab 100 mg at week 0, week 4 and every 8 weeks thereafter, or placebo with crossover to guselkumab 100 mg every 4 weeks at week 24. We primarily evaluated clinical efficacy through week 52 by imputing missing data (nonresponse for categorical end points; no change/using multiple imputation for continuous end points). Observed radiographic scores and adverse events (AEs) were summarized.

Results

Of 739 randomized, treated patients, 93% completed week 52. The proportions of patients in whom a ≥20% improvement from baseline in American College of Rheumatology criteria (ACR20) was achieved were maintained after week 24, reaching 71% (173 of 245) and 75% (185 of 248) for patients randomized to receive treatment every 4 weeks or every 8 weeks, respectively, by week 52. The proportions of patients in whom ACR50/ACR70 and skin responses, minimal or very low disease activity, and dactylitis or enthesitis resolution were achieved at week 24 were also maintained through week 52. Further, low levels of radiographic progression, along with improvements in physical function and health‐related quality of life, were sustained through week 52 with continued guselkumab treatment. Few patients experienced serious infections through week 52, with no evidence of a dosing regimen response or increase from weeks 0–24 (4 of 493 [0.8%]) to weeks 24–52 (3 of 493 [0.6%]) among guselkumab‐randomized patients. No patient developed an opportunistic infection or died.

Conclusion

In biologic‐naive PsA patients, guselkumab provided sustained improvements across diverse manifestations and maintained a favorable risk–benefit profile through week 52.
Bewehrungsanschlüsse für momententragfähige Verbindungen nach EOTA TR 069
Authors: Wörle Patrick , Appl Jörg , Genesio Giovacchino
Published: October 2020

Nachträglich eingemörtelte Bewehrungsanschlüsse haben sich in den letzten Jahrzehnten in der täglichen Baupraxis bewährt. Sie werden sowohl im Neubau als auch bei Renovierungen oder Nutzungsänderungen eingesetzt. Bislang beschränken sich die Anwendungsbereiche von nach EAD 330087‐00‐0601 qualifizierten Injektionssystemen auf Übergreifungsstöße, Endauflager von gelenkig gelagerten Balken, Bewehrungsstäbe unter Druckbelastung und die Verankerung der Zugkraftdeckung. Der neue technische Bericht EOTA TR 069 „Design method for anchorages of post‐installed reinforcing bars (rebars) with improved bond‐splitting behaviour as compared to EN 1992‐1‐1“ regelt nun erstmalig die Bemessung und Ausführung von Bewehrungsanschlüssen für biegesteife Beton‐Beton‐Verbindungen auf europäischer Ebene ohne Ausführung als Übergreifungsstoß. Im Rahmen dieses Beitrags werden die Anwendungsbereiche des neuen technischen Berichts TR 069 sowie das neue Qualifizierungsverfahren nach EAD 332402‐00‐0601 erläutert. Darüber hinaus werden die Bemessungsnachweise nach EOTA TR 069 erklärt. Ergänzende Beispielrechnungen von biegesteifen Verbindungen veranschaulichen ergänzend die Vorteile, die sich sowohl in der Planung als auch Ausführung ergeben.
The Synthesis and Catalytic Applications of Nanosized High‐Entropy Alloys
Authors: Zheng Huan , Luo Guoying , Zhang Aijun , Lu Xiaofeng , He Lin
Published: October 2020

Creative approaches towards the fabrication of metal nanomaterials for catalysis are highly demanded. In this context, integrating multiple elements into single nanosized alloys opens up a new route for tailoring catalytic performance. Particularly, nanosized high‐entropy alloys (HEAs) with five or more metallic components have emerged as a new platform for catalyst discovery in broad cases, such as ammonia decomposition, ammonia oxidation, and various electrochemical reactions. In this minireview, the vigorous current activity on the synthesis of HEAs nanoparticles (NPs) and their catalytic applications have been summarized. Theoretically, the rational design of heterogeneous HEAs catalysts has also been briefly discussed.
Activated Porous Highly Enriched Platinum and Palladium Electrocatalysts from Dealloyed Noncrystalline Alloys for Enhanced Hydrogen Evolution
Authors: Sahu Arti , Mondal Kallol , Pala Raj Ganesh
Published: October 2020

Modulation of activity of a quasicrystalline or amorphous matrix by selective dealloying of a less reactive metal is a trade‐off between an activity increment due to enhanced electronic structure/surface area and an activity decrement due to an increase in crystallinity. We evaluate this trade‐off in melt‐spun ribbons of amorphous PtZr4 and quasicrystalline PdZr3 metallic glasses for the hydrogen evolution reaction (HER). Selective electrochemical dissolution of Zr generates highly porous, stable, predominantly Pt and Pd electrocatalysts and having three and eight times higher HER specific activity. Dealloyed Pt has two times higher specific HER activity than dealloyed Pd. The heat of mixing between Pt (Pd) and Zr is correlated to the extent of dealloying from PtZr4 (PdZr3) alloys. Dealloying glass‐forming element Zr enhances the activity of the resultant porous material due to the reduction in oxide layer formation and better optimized M−H bond strength. X‐ray photoelectron spectroscopy analysis suggests that activity enhancement is due to Pt/Pd atoms gaining a partial negative charge leading to the promotion of H+ absorption and an increase of HER activity upon dealloying. The present work also provides insight into the challenging search for a glass‐former that does not have a debilitating effect on the electronic structure of the noble metals.
The Nature of Nonclassical Carbonyl Ligands Explained by Kohn–Sham Molecular Orbital Theory
Authors: van der Lubbe Stephanie C. C. , Vermeeren Pascal , Fonseca Guerra Célia , Bickelhaupt F. Matthias
Published: October 2020

When carbonyl ligands coordinate to transition metals, their bond distance either increases (classical) or decreases (nonclassical) with respect to the bond length in the isolated CO molecule. C−O expansion can easily be understood by π‐back‐donation, which results in a population of the CO's π*‐antibonding orbital and hence a weakening of its bond. Nonclassical carbonyl ligands are less straightforward to explain, and their nature is still subject of an ongoing debate. In this work, we studied five isoelectronic octahedral complexes, namely Fe(CO)62+, Mn(CO)6+, Cr(CO)6, V(CO)6− and Ti(CO)62−, at the ZORA‐BLYP/TZ2P level of theory to explain this nonclassical behavior in the framework of Kohn–Sham molecular orbital theory. We show that there are two competing forces that affect the C−O bond length, namely electrostatic interactions (favoring C−O contraction) and π‐back‐donation (favoring C−O expansion). It is a balance between those two terms that determines whether the carbonyl is classical or nonclassical. By further decomposing the electrostatic interaction ΔVelstat into four fundamental terms, we are able to rationalize why ΔVelstat gives rise to the nonclassical behavior, leading to new insights into the driving forces behind C−O contraction.
Highly Deformedo‐Carborane Functionalised Non‐linear Polycyclic Aromatics with Exceptionally Long C−C Bonds
Authors: Marsh Adam V. , Little Mark , Cheetham Nathan J. , Dyson Matthew J. , Bidwell Matthew , White Andrew J. P. , Warriner Colin N. , Swain Anthony C. , McCulloch Iain , Stavrinou Paul N. , Heeney Martin
Published: October 2020

The effect of substitutingo‐carborane into the most sterically hindered positions of phenanthrene and benzo(k)tetraphene is reported. Synthesised via a Bull–Hutchings–Quayle benzannulation, the crystal structures of these non‐linear acenes exhibited the highest aromatic deformation parameters observed for any reported carborane compound to date, and among the largest carboranyl C−C bond length of all organo‐substitutedo‐carboranes. Photoluminescence studies of these compounds demonstrated efficient intramolecular charge‐transfer, leading to aggregation induced emission properties. Additionally, an unusual low‐energy excimer was observed for the phenanthryl compound. These are two new members of the family of carborane‐functionalised non‐linear acenes, notable for their peculiar structures and multi‐luminescent properties.
Fuel‐Driven Biorefineries Using Hydrothermal Processes
Authors: Klemm Marco , Kröger Michael , Görsch Kati , Müller‐Langer Franziska , Majer Stefan
Published: October 2020

Regarding the aim of a CO2‐neutral society by 2050, one target is to use the largest possible amount of the initial feedstock within the bioeconomy. In that context it is necessary to utilize also low‐value biomass in biorefineries. For wet streams, hydrothermal processes can make an efficient thermochemical application possible. To be used as transport fuel, strict limitations from national and international standards have to be fulfilled, e.g., regarding oxygen content. To reach these boundaries, commonly multistage approaches have to be applied. Within this framework utilization of hydrogen donors can be beneficial. Basic calculations of costs and greenhouse gas emissions are given for an exemplary case.
The Brescia panel and The International System for Reporting Serous Fluid Cytopathology
Authors: Chandra Ashish
Published: October 2020

The combination of Claudin‐4 and BRCA‐associated protein 1 holds promise as a small and sufficient panel for the distinction between metastatic adenocarcinoma and mesothelioma in serous fluids. This means that more residual diagnostic material would be available for ascertaining the primary sites and for performing molecular testing of malignant cells in serous effusions.
Research on multiscale features and integrated forecasting of the Belt and Road exchange rate index
Authors: Cui Yixi , Liu Zixin , Li Ziran , Guo Kun , Sun Yishan
Published: October 2020

Massive progress and fruitful results have been achieved since the implementation of the Belt and Road Initiative (B&R). However, the risk of exchange rate between countries along the Belt and Road cannot be ignored. In this paper, we propose a B&R exchange rate index to evaluate the currency risk of countries along the B&R, along with a research on the multiscale features of the B&R exchange rate index and the effective RMB exchange rate index using the EMD algorithm. Then, we propose an integrated forecasting approach. We adopt the EMD algorithm and the Grey Relational Analysis to decompose and reconstruct the B&R exchange rate index and the effective RMB exchange rate index into three subsections with different volatility characteristics. The prediction outcome of the integrated model for the original series equals a sum of the Auto‐regressive Integrated Moving Average model for trend term and the Long Short‐Term Memory model for market fluctuation term as well as noise term. The results of our prediction demonstrate a much better performance of our proposed integrated forecasting model than pure methods. Lastly, several suggestions are put forward to help relevant enterprises effectively avoid and manage the exchange risks.
Tri‐Allelic Haplotypes Determine and Differentiate Functionally Normal Allele CYP2D6*2 and Impaired Allele CYP2D6*41
Authors: Zanger Ulrich M. , Momoi Kyoko , Hofmann Ute , Schwab Matthias , Klein Kathrin
Published: October 2020

CYP2D6 metabolizes 20–25% of all clinically used drugs and its complex genetic polymorphism is a major determinant of drug safety and efficacy. We investigated the basis for the functional difference between the two common alleles *2 (g.2851C>T + g.4181G>C, normal function) and *41 (additional intronic g.2989G>A, reduced function). A recently reported far‐distant enhancer polymorphism rs5758550A/G linked to *2 has been suggested to play a decisive role. Genotyping of two white cohorts confirmed strong linkage of rs5758550G to *2, whereas no influence was found on metabolic ratio of sparteine or hepatic expression. Genomic plasmid constructs carrying individual variants or combinations thereof were expressed in COS1 and Huh7 cells. Both g.2851C>T(R296C) and g.2989G>A reduced enzyme activity and protein levels similarly by ~ 50–65% compared to reference (*1), whereas the double variant had only ~ 20% activity. Although the unexpected loss of function caused by g.2851C>T was compensated by g.4181G>C (mimicking the EM‐phenotype of *2), the additional loss of function due to intronic g.2989G>A in the triple variant was not compensated (mimicking the IM‐phenotype of *41). We also confirmed increased erroneous splicing in carriers of g.2989G>A but not of g.2851C>T as a likely explanation for the impaired function of *41. In conclusion, our data demonstrate g.2989G>A as causal variant of impaired allele CYP2D6*41 whereas triple‐haplotypes have to be considered to explain the functional difference between *2 and *41. These data are important for genotyping strategies and clinical implementation of CYP2D6 pharmacogenetics.
Identification of scavenger receptors and thrombospondin‐type‐1 repeat proteins potentially relevant for plastid recognition in Sacoglossa
Authors: Melo Clavijo Jenny , Frankenbach Silja , Fidalgo Cátia , Serôdio João , Donath Alexander , Preisfeld Angelika , Christa Gregor
Published: October 2020

Functional kleptoplasty is a photosymbiotic relationship, in which photosynthetically active chloroplasts serve as an intracellular symbiont for a heterotrophic host. Among Metazoa, functional kleptoplasty is only found in marine sea slugs belonging to the Sacoglossa and recently described in Rhabdocoela worms. Although functional kleptoplasty has been intensively studied in Sacoglossa, the fundamentals of the specific recognition of the chloroplasts and their subsequent incorporation are unknown. The key to ensure the initiation of any symbiosis is the ability to specifically recognize the symbiont and to differentiate a symbiont from a pathogen. For instance, in photosymbiotic cnidarians, several studies have shown that the host innate immune system, in particular scavenger receptors (SRs) and thrombospondin‐type‐1 repeat (TSR) protein superfamily, is playing a major role in the process of recognizing and differentiating symbionts from pathogens. In the present study, SRs and TSRs of three Sacoglossa sea slugs, Elysia cornigera, Elysia timida, and Elysia chlorotica, were identified by translating available transcriptomes into potential proteins and searching for receptor specific protein and/or transmembrane domains. Both receptors classes are highly diverse in the slugs, and many new domain arrangements for each receptor class were found. The analyses of the gene expression of these three species provided a set of species‐specific candidate genes, that is, SR‐Bs, SR‐Es, C‐type lectins, and TSRs, that are potentially relevant for the recognition of kleptoplasts. The results set the base for future experimental studies to understand if and how these candidate receptors are indeed involved in chloroplast recognition.
Sheath‐assisted focusing of microparticles on lab‐on‐a‐chip platforms
Authors: Dalili Arash , Sattati Amirmohammad , Tasnim Nishat , Hoorfar Mina
Published: October 2020

Lab‐on‐a‐chip (LOC) technologies can take advantage of sheath flows for particle/cell focusing before sensing or sorting. The integration of focusing with other microscale manipulation techniques (e.g., sorting) creates a trade‐off between the throughput of the device and its performance. Therefore, exploring the effective parameters for cells/particles focusing enables us to improve the desired output of LOC devices. A common configuration for sheath‐assisted focusing is Y junctions, which are parametrically studied in this paper. First, a computational model was developed and validated by comparing it with our experimental results. Using COMSOL Multiphysics modeling, the effects of multiple parameters were studied. These parameters include the sheath flow ratio (sheath flow over total flow), width ratio (width of the sheath inlet over the total width), junction angles, and particle size on the focusing width and the distribution of the particles within the focusing region. Then, the numerical data were used to develop two generalized linear models to predict the focusing width of the particles and the standard deviation of the position of the particles. The results showed that the focusing width is greatly impacted by the sheath flow rate ratio. Further, the standard deviation of the position of the particles, which represents the concentration of the particles, is mostly dependent on the flow rate ratio, width ratio, and particle size. Our results provide a better understanding of how the device geometrical and operational factors affect the position of the particles in the development of high‐performance on‐chip sensing and sorting of both cells and particles.
A Markovian approach to infrastructure life‐cycle analysis: Modeling the interplay of hazard effects and recovery
Authors: Dehghani Nariman L. , Fereshtehnejad Ehsan , Shafieezadeh Abdollah
Published: October 2020

Probabilistic life‐cycle cost (LCC) analysis facilitates optimal management of infrastructure systems under uncertainty. Despite recent advancements, accurate and efficient estimation of the LCC of systems facing risk of exposure to multiple stochastic occurrences of hazards has remained a significant challenge. This paper proposes a Markovian LCC framework that substantially reduces the often very high computational cost of probabilistic LCC analysis especially for large systems. The presented methodology also enhances the accuracy of LCC estimates in multiple fronts. It captures damage accumulations due to incomplete or no repair actions over multiple stochastic hazard exposures in a system's lifetime. Moreover, it tracks the state of infrastructure vulnerability during repair processes and incorporates uncertainties in downtimes associated with damage states of the system. Finally, it estimates the entirity of loss induced by a hazard and avoids the truncation error that exists in annual loss estimates for scenarios where repair downtimes are greater than one year. With these new capabilities, the proposed LCC framework is applied to a bridge in a seismic zone to estimate the LCC and analyze complex interactions of stochastic hazards and their effects with recovery efforts. Results indicate that neglecting effects of damage accumulation and partial improvements in the course of repair can lead to 20% underestimation and 14% overestimation of the expected hazard‐induced LCC, respectively.