bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self‐Limited Ice Formation and Efficient De‐Icing on Superhydrophobic Micro‐Structured Airfoils through Direct Laser Interference Patterning
Authors: Alamri Sabri , Vercillo Vittorio , Aguilar‐Morales Alfredo I. , Schell Frederic , Wetterwald Marc , Lasagni Andrés F. , Bonaccurso Elmar , Kunze Tim 
Published: October 2020

AbstractForward facing aerodynamic surfaces such as rotors and wings are susceptible to ice build‐up when exposed to atmospheric icing conditions. If not removed, accumulated ice on aircraft surfaces affects aerodynamics or rotation balance, which can ultimately lead to increased fuel consumption, reduced operational performance and to potentially hazardous situations. Laser surface structuring is proposed as an alternative technology to coatings for achieving icephobic properties and support anti‐icing and de‐icing processes on aerodynamic surfaces. However, to authors’ knowledge, no study available in the literature reports on the icing behavior of microtextured curved aerodynamic profiles and the effect of the laser surface treatment on the electrothermal heating used for ice protection systems. In this work, direct laser interference patterning is employed to fabricate hierarchical micro‐ and nanostructures directly on a non‐planar titanium airfoil. The anti‐icing performance of the laser‐treated airfoil is tested in an icing wind tunnel under simulated atmospheric conditions. The results demonstrate a self‐limiting ice growth, a decrease in the deicing electro‐thermal power up to 80%, and up 60% lower heating power necessary to keep the surface free of ice than on the reference airfoil.
Switchable Underwater Adhesion by Deformable Cupped Microstructures
Authors: Wang Yue , Kang Victor , Federle Walter , Arzt Eduard , Hensel René 
Published: October 2020

AbstractSwitchable underwater adhesion can be useful for numerous applications, but is extremely challenging due to the presence of water at the contact interface. Here, deformable cupped microstructures (diameter typically 100 µm, rim thickness 5 µm) are reported that can switch between high (≈1 MPa) and low (<0.2 MPa) adhesion strength by adjusting the retraction velocity from 100 to 0.1 µm s–1. The velocity at which the switch occurs is determined by specific design parameters of the cupped microstructure, such as the cup width and angle. The results are compared with theoretical estimates of water penetration into the contact zone and expansion of the cup during retraction. This work paves the way for controlling wet adhesion on demand and may inspire further applications in smart adhesives.
2D Square Octagonal Molybdenum Disulfide: An Effective Anode Material for LIB/SIB Applications
Authors: Barik Gayatree , Pal Sourav 
Published: October 2020

AbstractThe development of high‐performance energy storage devices is of great interest to both the scientific fraternity and has an appalling effect in day to day life. In this regard, square octagonal‐MoS2, a reported structural analog of MoS2, has become very interesting after the successful discovery of graphene. By using plane wave‐based density functional theory, 2D haeckelite structured so‐MoS2 is explored as an appealing anode for lithium‐ion batteries/Na‐ion batteries (LIBs/SIBs). The square MoS2 provides multiple numbers of Li/Na binding sites with high adsorption energies. The computed diffusion pathways and ion migration barriers on the surfaces of the so‐MoS2 probe that the diffusion process is ultrafast in nature. Moreover, at maximum Li/Na concentration, so‐MoS2 gives rise to an electrode that manifests a larger theoretical specific capacity of 670 mAh g−1 both for Li and Na storage, equivalent to that of h‐MoS2. The lithiation/sodiation‐induced voltage range of the so‐MoS2 is quite feasible to be utilized as the anode, which is another vital factor influencing the performance of the LIBs/SIBs. All the above unique features unambiguously suggest that square octagonal MoS2 can become an efficient alternative anode material for rechargeable batteries.
Community‐based conservation and chimpanzee research in Gishwati forest, Rwanda
Authors: Chancellor Rebecca , Rundus Aaron , Nyiratuza Madeleine , Nyandwi Sylvain , Aimable Thierry 
Published: October 2020

AbstractAs great ape populations around the world continue to decline, largely due to anthropogenic activities, conservation programs aimed at supporting these efforts have had mixed success. Here, we evaluate our community‐based conservation program in Gishwati forest, Rwanda, aimed at helping to restore biodiversity and ecosystem services using chimpanzees as a flagship species. We examine the effectiveness of this program on reducing one of the ongoing threats to Gishwati's population of chimpanzees, illegal cattle grazing as well as the program's influence on the size of the chimpanzee population. We monitored illegal cattle grazing during several study periods between 2009 and 2019 in Gishwati forest following the implementation of our conservation program in 2008 that included law enforcement, community engagement, and research components. We found that when our conservation program was active, illegal cattle grazing was reduced to low levels. We also observed an increase in the chimpanzee population size during the 11 years since we started our conservation program. We examine how this reduction in cattle grazing and increase in chimpanzee population size may have been influenced by our community‐centered approach and discuss the future of our conservation work in Gishwati.
Generalized Photon Added and Subtracted f‐Deformed Displaced Fock States
Authors: Faghihi Mohammad Javad 
Published: October 2020

AbstractIn this paper, by making use of the nonlinear coherent states approach, the generalized photon added and subtracted f‐deformed displaced Fock states are introduced. In other words, a natural link between photon added and subtracted displaced Fock states and nonlinear coherent states associated with nonlinear oscillator algebra is obtained. It is found that various kinds of nonclassical states can be generated by adopting appropriately controlling parameters in both linear and nonlinear regimes. Moreover, examining some of the most nonclassical properties such as Mandel's Q parameter, different types of squeezing, namely, quadrature, amplitude–squared and phase entropic squeezing, and Vogel's characteristic function, the nonclassicality features of the considered quantum states of interest are studied. Furthermore, to obtain the degree of quantum coherence, the relative entropy of coherence is investigated. Indeed, the nonclassicality aspects of the states obtained have been numerically studied to understand the roles of deformation functions, photons added and subtracted, and photon number occupied in the Fock state on physical properties. It is demonstrated that the depth and the domain of the nonclassicality features of the system can properly be controlled by selecting the suitable parameters.
Synthesis and Characterization of Bidentate (P^N)Gold(III) Fluoride Complexes: Reactivity Platforms for Reductive Elimination Studies
Authors: Genoux Alexandre , Biedrzycki Michał , Merino Estíbaliz , Rivera‐Chao Eva , Linden Anthony , Nevado Cristina 
Published: October 2020

AbstractA new family of cationic, bidentate (P^N)gold(III) fluoride complexes has been prepared and a detailed characterization of the gold‐fluoride bond has been carried out. Our results correlate with the observed reactivity of the fluoro ligand, which undergoes facile exchange with both cyano and acetylene nucleophiles. The resulting (P^N)arylgold(III)C(sp) complexes have enabled the first study of reductive elimination on (P^N)gold(III) systems, which demonstrated that C(sp2)−C(sp) bond formation occurs at higher rates than those reported for analogous phosphine‐based monodentate systems.
Host–Guest Exchange of Viologen Guests in Porphyrin Cage Compounds as Studied by Selective Exchange Spectroscopy (1D EXSY) NMR
Authors: Swartjes Anne , White Paul B. , Lammertink Marijn , Elemans Johannes A. A. W. , Nolte Roeland J. M. 
Published: October 2020

AbstractDynamics in complexes of porphyrin cage compounds and viologen‐derived guest molecules are investigated by selective exchange NMR spectroscopy (1D EXSY). Exchange rates were found to be independent of excess guest concentration, revealing a dissociative exchange mechanism, which is accompanied by negative activation entropies, indicating significant reorganization of the host–guest complex during dissociation. Nonsymmetric viologen guests with bulky head groups had more unidirectional binding and slower exchange rates than guests with less‐bulky head groups. Thermodynamic and kinetic studies revealed that the exchange process is primarily driven by the thermodynamics of binding and that guest binding can be influenced by introducing steric and electronic groups on the host . Exchange studies with guests bearing a polymer chain revealed that both slippage and full dissociation takes place and the rate constants for both processes were determined. The slippage rate constant revealed that for smaller guests exchange takes place nearly exclusively under thermodynamic control.
Nickel‐Catalyzed Asymmetric Synthesis of α‐Arylbenzamides
Authors: Cuesta‐Galisteo Sergio , Schörgenhumer Johannes , Wei Xiaofeng , Merino Estíbaliz , Nevado Cristina 
Published: October 2020

AbstractA nickel‐catalyzed asymmetric reductive hydroarylation of vinyl amides to produce enantioenriched α‐arylbenzamides is reported. The use of a chiral bisimidazoline (BIm) ligand, in combination with diethoxymethylsilane and aryl halides, enables the regioselective introduction of aryl groups to the internal position of the olefin, forging a new stereogenic center α to the N atom. The use of neutral reagents and mild reaction conditions provides simple access to pharmacologically relevant motifs present in anticancer, SARS‐CoV PLpro inhibitors, and KCNQ channel openers.
Rapid Unperturbed‐Tissue Analysis for Intraoperative Cancer Diagnosis Using an Enzyme‐Activated NIR‐II Nanoprobe
Authors: Zhan Yang , Ling Sisi , Huang Haoying , Zhang Yejun , Chen Guangcun , Huang Shungen , Li Chunyan , Guo Wanliang , Wang Qiangbin 
Published: October 2020

AbstractAccurate intraoperative tissue identification is critical to tumor surgery. However, conventional methods are labor‐ and time‐intensive, which greatly delay the intraoperative decision‐making. Herein, a matrix metalloproteinase (MMP)14‐activated NIR‐II nanoprobe (A&MMP@Ag2S‐AF7P) is presented for rapid unperturbed‐tissue analysis for ex vivo and in vivo neuroblastoma diagnosis. A&MMP@Ag2S‐AF7P displays negligible fluorescence in normal tissues but is activated quickly by inhibiting the fluorescence resonance energy transfer (FRET) between Ag2S QDs and A1094 mediated by MMP14 overexpressed in neuroblastoma; meanwhile, the exposure of the membrane penetrating peptide R9 (TAT‐peptide) results in efficient internalization of nanoprobes in the cancer cells, providing superior tumor‐to‐normal (T/N) tissue ratio. Instant illumination of the lesion and well‐defined tumor margins make the nanoprobes a suitable rapid diagnostic reagent for cancer surgical or tissue biopsy procedures.
Synthesis of Nitrile Bearing Acyclic Quaternary Centers through Co(III)‐Catalyzed Sequential C−H Bond Addition to Dienes and N‐Cyanosuccinimide
Authors: Dongbang Sun , Ellman Jonathan A. 
Published: October 2020

AbstractHerein we disclose a three‐component strategy to access quaternary centers bearing nitriles by cobalt‐catalyzed C−H bond activation and sequential addition to internally substituted 1,3‐dienes and an electrophilic cyanating reagent with high regio and stereocontrol. 2‐Aryl and alkyl monosubstituted dienes provide α‐aryl and α‐alkyl α‐methyl‐substituted nitriles, respectively. An even wider variety of functionality can be installed at the quaternary carbon by using 1,2‐disubstituted dienes. The synthetic utility of the nitrile products was successfully demonstrated by various transformations, including conversions to γ‐lactones and tetrazoles. The observed connectivity in the products along with studies with deuterium labeled reactants provide insight into the mechanism. Formation of a 7‐membered cobaltacycle by C−H activation and migratory insertion of the diene is followed by β‐hydride elimination and hydride reinsertion to give a 6‐membered cobaltacycle that then reacts with the cyanating agent.
Cation Additive Enabled Rechargeable LiOH‐Based Lithium–Oxygen Batteries
Authors: Bi Xuanxuan , Li Matthew , Liu Cong , Yuan Yifei , Wang Hao , Key Baris , Wang Rongyue , Shahbazian‐Yassar Reza , Curtiss Larry A. , Lu Jun , Amine Khalil 
Published: October 2020

AbstractLithium–oxygen (Li–O2) batteries have attracted extensive research interest due to their high energy density. Other than Li2O2 (a typical discharge product in Li–O2 batteries), LiOH has proved to be electrochemically active as an alternative product. Here we report a simple strategy to achieve a reversible LiOH‐based Li–O2 battery by using a cation additive, sodium ions, to the lithium electrolyte. Without redox mediators in the cell, LiOH is detected as the sole discharge product and it charges at a low charge potential of 3.4 V. A solution‐based reaction route is proposed, showing that the competing solvation environment of the catalyst and Li+ leads to LiOH precipitation at the cathode. It is critical to tune the cell chemistry of Li–O2 batteries by designing a simple system to promote LiOH formation/decomposition.
A Cyclized Polyacrylonitrile Anode for Alkali Metal Ion Batteries
Authors: Zhang Wenli , Sun Minglei , Yin Jian , Abou‐Hamad Edy , Schwingenschlögl Udo , Costa Pedro M. F. J. , Alshareef Husam N. 
Published: October 2020

AbstractOrganic anodes have attracted increasing attention for alkali metal ion batteries. In this work, we discovered that cyclized polyacrylonitrile (cPAN) can serve as an excellent anode for alkali metal ion batteries. Upon activation cycling, as an anode of lithium‐ion battery, cPAN exhibits a reversible capacity as high as 1238 mAh g−1under a current density of 50 mA g−1. Based on electrochemical experiments and first‐principles calculations, it is demonstrated that the hexagonal carbon ring, piperidine ring, and pyridine nitrogen in ladder cPAN are the main active sites for lithium‐ion storage. cPAN displays a unique potential‐dependent solid electrolyte interphase formation from 0.1 to 0.01 V vs. Li/Li+. It also displays decent performance as an anode in SIBs and PIBs.
A Versatile Method for Functionalization of Covalent Organic Frameworks via Suzuki–Miyaura Cross‐Coupling
Authors: Liao Qiaobo , Ke Can , Huang Xin , Wang Dongni , Han Qingwen , Zhang Yifan , Zhang Yiying , Xi Kai 
Published: October 2020

AbstractPost‐synthetic modification (PSM) is a prevalent and powerful strategy to introduce desired functionalities into covalent organic frameworks (COFs) for functional products, expediting their applications vastly. Herein, we demonstrate a PSM strategy for functionalizing brominated COFs via the well‐developed Suzuki–Miyaura cross‐coupling. By this, a variety of functionalities were installed into COFs efficiently, while the crystallinity and porosity of COFs was well‐retained. As a proof‐of‐concept, BrCOF‐2 was modified with trifluoromethyl groups to produce a SF6 adsorbent with remarkably enhanced properties. This facile and versatile approach opens a new door for the synthesis of functional COFs, and greatly expands the scope of their structural design aiming for various properties and applications.
Using artificial neural networks to model and interpret electrospun polysaccharide (Hylon VII starch) nanofiber diameter
Authors: Premasudha Mookala , Bhumi Reddy Srinivasulu Reddy , Lee Yeon‐Ju , Panigrahi Bharat B. , Cho Kwon‐Koo , Nagireddy Gari Subba Reddy 
Published: October 2020

AbstractPresent work was aimed to develop an artificial neural networks (ANN) model to predict the polysaccharide‐based biopolymer (Hylon VII starch) nanofiber diameter and classification of its quality (good, fair, and poor) as a function of polymer concentration, spinning distance, feed rate, and applied voltage during the electrospinning process. The relationship between diameter and its quality with process parameters is complex and nonlinear. The backpropagation algorithm was used to train the ANN model and achieved the classification accuracy, precision, and recall of 93.9%, 95.2%, and 95.2%, respectively. The average errors of the predicted fiber diameter for training and unseen testing data were found to be 0.05% and 2.6%, respectively. A stand‐alone ANN software was designed to extract information on the electrospinning system from a small experimental database. It was successful in establishing the relationship between electrospinning process parameters and fiber quality and diameter. The yield of smaller diameter with good quality was favored by lower feed rate, lower polymer solution concentration, and higher applied voltage.
Granulocyte‐colony stimulating factor improves intervertebral disc degeneration in experimental adult male rats: A microscopic and radiological study
Authors: Abdel Fattah Islam Omar , Nasr El‐Din Wael Amin 
Published: October 2020

AbstractIntervertebral disc degeneration (IVDD) is a major contributor to low back pain (LBP). Granulocyte‐colony stimulating factor (GCSF) is known to mobilize hematopoietic stem cells (HSCs) that may be implicated in intervertebral disc (IVD) regeneration. Rats were divided into the following three groups: (i) control group; (ii) IVDD group—the rats underwent Co5/Co6 and Co7/Co8 IVDD operation; and (iii) GCSF‐treated group—the rats received daily GCSF subcutaneous injections starting 6 weeks after the IVDD operation and continued for 5 days. All of the rats were euthanized after 8 weeks, and IVDs were assessed by tail X‐ray and histopathological, immunohistochemical, and transmission electron microscopy (TEM) analyses. The X‐rays showed disc narrowing in the IVDD group that was significantly widened in the GCSF‐treated rats. Histologically, the IVDD group showed disarrangement of the annulus fibrosis lamellae, complete degeneration of the nucleus pulposus, and loss of proteoglycan content. These changes were improved after GCSF treatment. Vertebral endplate thickness and cellularity were significantly decreased with IVDD and significantly increased after GCSF treatment. Stromal cell‐derived factor‐1α (SDF‐1α) immune expression was significantly increased in the IVDD group but decreased in the GCSF‐treated group. However, the caspase‐3 expression percentage showed no significant difference among the studied groups. TEM showed excessive collagen deposits around the notochordal cells in the IVDD group, which were attenuated in the GCSF‐treated group. These results indicate that GCSF improves IVDD and promotes its recovery based on radiological, histological and TEM findings.
Changes in hippocampal capillaries in transgenic type 2 diabetic mice: A stereological investigation
Authors: Zhao Yuanyu , Liu Jin , Li Jing , Zhao Feng , Du Shijuan , Wang Yunzi , Li Juan , Yang Lijun , Du Jiang , Tang Yong 
Published: October 2020

AbstractThe cognitive dysfunction associated with type 2 diabetes mellitus (T2DM) has been widely studied, and many structures in the hippocampus, such as neurons and synapses, have been shown to play a crucial role in the cognitive decline. However, the mechanism of these changes remains unknown. To further explore this issue, we investigated the changes in the blood supply of the hippocampus in transgenic T2DM mice. In the current study, histochemistry, immunohistochemistry, and unbiased stereological methods were utilized to research the effects of T2DM on hippocampal capillaries of transgenic db/db mice. Twenty (Leprdb) mut/mut mice and twenty (Leprdb) wt/wt mice were used in this study. The learning and memory ability was appraised by Morris water maze test.
Amoebicidal effect of 5,5′‐[(4‐nitrophenyl)methylene]bis‐6‐hydroxy‐2‐mercapto‐3‐methyl‐4(3H)‐pyrimidinone), a new drug against Entamoeba histolytica
Authors: Vique‐Sánchez José L. , Jiménez‐Pineda Albertana , Benítez‐Cardoza Claudia G. 
Published: October 2020

AbstractEntamoeba histolytica is a cosmopolitan protozoan parasite that can produce infections in the intestine and some organs (liver, lungs, and brain), with worldwide prevalence. There are treatments against E. histolytica (antiparasitics), but as the drugs used in these treatments have presented some type of resistance and/or side effects, there are cases with complications of this disease. Therefore, it is necessary to develop new drugs aimed at a specific therapeutic target against this parasite. Here, we used the compound 5,5′‐[(4‐nitrophenyl)methylene]bis(6‐hydroxy‐2‐mercapto‐3‐methyl‐4(3H)‐pyrimidinone) in the patenting process (called D4). D4 has a reported specific use against a glycolytic enzyme, the triosephosphate isomerase of Trichomonas vaginalis (TvTIM). We determined that D4 has an amoebicidal effect in in vitro cultures, with an IC50 value of 18.5 µM, and we proposed a specific site of interaction (Lys77, His110, Gln115, and Glu118) in the triosephosphate isomerase of E. histolytica (EhTIM). Furthermore, compound D4 has favorable experimental and theoretical toxicity results. Therefore, D4 should be further investigated as a potential drug against E. histolytica.
Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides
Authors: Rodrigues Silva Daniela , de Azevedo Santos Lucas , Freitas Matheus P. , Guerra Célia Fonseca , Hamlin Trevor A. 
Published: October 2020

AbstractWe have quantum chemically investigated the bonding between archetypical Lewis acids and bases. Our state‐of‐the‐art computations on the X3B−NY3Lewis pairs have revealed the origin behind the systematic increase in B−N bond strength as X and Y are varied from F to Cl, Br, I, H. For H3B−NY3, the bonding trend is driven by the commonly accepted mechanism of donor−acceptor [HOMO(base)−LUMO(acid)] interaction. Interestingly, for X3B−NH3, the bonding mechanism is determined by the energy required to deform the BX3to the pyramidal geometry it adopts in the adduct. Thus, Lewis acids that can more easily pyramidalize form stronger bonds with Lewis bases. The decrease in the strain energy of pyramidalization on going from BF3to BI3is directly caused by the weakening of the B−X bond strength, which stems primarily from the bonding in the plane of the molecule (σ‐like) and not in the π system, at variance with the currently accepted mechanism.
A performance‐based indicator chemical framework for potable reuse
Authors: Thompson Kyle A. , Dickenson Eric R. V. 
Published: October 2020

AbstractMany organic chemicals occur in reclaimed water at higher concentrations than in conventional drinking water sources. Some of these chemicals are known to occur at concentrations that pose chronic health risks. The toxicity or occurrence of other chemicals may not yet be known. Thus, potable reuse systems should achieve robust removal of known and unknown chemicals to ensure public health protection. Here, criteria were proposed for performance‐based indicators that could cost‐effectively verify this robust removal. The selection process was then demonstrated for a hypothetical system using ozonation, granular activated carbon, and direct ultraviolet photolysis. A set of indicators (e.g., acesulfame, meprobamate, perfluoroheptanoic acid, sucralose, iopromide, benzotriazole, and iohexol) was recommended on the basis of original and literature review data. However, the concentrations of some of these indicators are sufficient at certain locations only or decrease over time. Thus, indicators should be site‐specific, periodically reevaluated, and the topic of further research.