bluuebunny/crossref_metadata_2025 huggingface dataset:
A robust finite element‐finite volume strategy for viscosity‐dominated hydraulic fracture propagation using an asymptotic tip enrichment
Authors: Jin Tao , White Joshua A. , Settgast Randolph
Published: July 2022

Fluid‐driven fracture propagation is widely observed in various geological processes and crucial to many applications of geological engineering. Developing robust and accurate numerical strategies has significance in advancing the scientific understanding and engineering applications related with fluid‐driven fracture propagation. We present a finite element‐finite volume strategy using asymptotic fracture tip enrichment to model the fluid‐driven fracture propagation in three‐dimensional Cartesian meshes under the viscosity‐dominated regime, in which the fluid viscosity‐related process is the dominant energy dissipation mechanism. We use the finite element method to discretize the balance of linear momentum equation for the deformed solid and the finite volume method to discretize the Reynolds equation that governs the fluid flow. In order to track the evolving fracture front in heterogeneous media, we extend the implicit level set approach originally proposed for the displacement discontinuity method. Through this process, a signed distance‐based fracture propagation criterion naturally emerges and is suitable for the viscosity‐dominated regime when solid toughness becomes irrelevant. Critically, we enrich the fluid volume treatment near the fracture front using the tip asymptotic solution. This enrichment strategy is crucial to overcome the mesh nonconformity caused by the arbitrary intersections between propagating fracture front and underlying Cartesian meshes. We compare the numerical results with analytical solutions of the KGD problem and the penny‐shape problem, and illustrate the mesh size and time step‐insensitivity of the numerical results due to the tip enrichment technique. Also, we demonstrate the capabilities of the proposed method to model fluid‐driven fracture propagation in various heterogeneous media.
Investigation of intramolecular hydrogen bonding in naphthoquinone derivatives by quantum chemical calculations
Authors: Sharma Anjali , Verma Vinay Kumar , Singh Jyoti Bala , Guin Mridula
Published: July 2022

Intramolecular hydrogen‐bonded naphthoquinone derivatives are investigated using both DFT (density functional theory) and MP2 (Møller–Plesset perturbation theory) method. Three different sets of naphthoquinone derivatives, each set consisting of syn and anti conformers with respect to the substitution by (–OH/–NH2) at peri and para position of the ring, are considered for investigation. In all cases, the syn conformer is found to be energetically more stable compared with the anti conformer. However, the hydrogen bond strength of the anti conformer is found to be more as obtained from NBO (natural bond orbital) analysis and QTAIM (quantum theory of atoms in molecules) theory. The O···H–O interactions are associated with covalent character while O···H–N interactions are noncovalent in nature. The NCI (noncovalent interaction) isosurface clearly indicates the formation of O···H–O and O···H–N intramolecular hydrogen bond. The energy partition analysis indicates electrostatic interaction as the dominant force in stabilizing these systems. The aromaticity calculation by HOMA (harmonic oscillator model of aromaticity) index and Bird index indicate the syn conformer with higher aromaticity compared to the anti conformer. The overall stability of the syn conformers is thus dominated by the aromatic stabilization energy instead of hydrogen bonding energy. The global reactivity descriptors further support the higher stability of the syn conformers according to maximum hardness principle (MHP) and minimum electrophilicity principle (MEP).
SNC‐TIRS: Label‐Free Single Nanoparticle Characterization System Based on Total Internal Reflection Scattering Signal
Authors: Tyagi Arti , Singh Shefali , Pandey Vikas , Kumar Sachin , Mallik Prabhat Singh , Elangovan Ravikrishnan
Published: July 2022

Nanoparticles are used in various biomedical applications like in vitro diagnostics, imaging, drug delivery, and other therapeutic uses. The performance of such applications requires accurate knowledge of size distribution that needs precise characterization techniques. In this study, a single‐nanoparticle characterization system based on the total internal reflected scattering signal (SNC‐TIRS) is demonstrated for the size estimation of synthetic nanoparticles and exosomes. A compact waveguide‐based evanescent field illumination is used to convert a digital microscope into a nanoparticle characterization system based on scattering signals from diffusing nanoparticles in Brownian motion. By analyzing single‐particle trajectories, the system estimates the hydrodynamic size, average number of particles observed per unit volume, and the distribution of sample heterogeneity. SNC‐TIRS is benchmarked with inorganic nanoparticles and biomaterials in size range of 80–250 nm. Its utility to characterize the size of exosomes isolated from plasma using magnetic nanoparticles (MNPs) is shown. The hydrodynamic size of bare MNPs (123.83 ± 29.19 nm), antibody‐bound‐MNPs (161.33 ± 29.47 nm), and antibody‐exosome‐bound‐MNP conjugates (224.82 ± 25.89) are estimated and the results obtained agree with standard methods such as dynamic light scattering and nanoparticle tracking analysis. SNC‐TIRS can enable the label‐free characterization of nanomaterials and clinically relevant biomarkers.
Pharmacokinetics of intermittent dosed intravenous vancomycin in adult persons with cystic fibrosis
Authors: Lindley Bryn , Bhakta Zubin , Gray Kristine , Watanabe Alexandre , Leclair Laurie , Young David C.
Published: July 2022

Background

Antibiotics have altered pharmacokinetics (PK) in persons with cystic fibrosis (PwCF) during treatment for an acute pulmonary exacerbation (APE). The Cystic Fibrosis Foundation Pulmonary Guidelines–Treatment of Pulmonary Exacerbations do not provide specific recommendations for treatment of methicillin‐resistant Staphylococcus aureus (MRSA) lung infections. However, the American Thoracic Society Guidelines recommend vancomycin as the first‐line therapy. Only one study has previously described a single dose of intravenous (IV) vancomycin PK in adult PwCF. Our study aimed to describe intermittent IV vancomycin PK at steady‐state in adult PwCF.

Methods

Adult PwCF who were admitted to University of Utah Hospital between May 11, 2014 and August 31, 2020, and received intermittent IV vancomycin for the treatment of an APE were included in this study. The primary outcome was to describe the drug volume of distribution (Vd), drug clearance, elimination half‐life, and total daily dose of vancomycin. Secondary outcomes were rates of acute kidney injury (AKI), liver injury, and infusion‐related reactions.

Results

Thirteen patients were included. The mean Vd was 0.54 L/kg on Day 3 and 0.53L/kg on Day 7. CLvanco was 5.11L/h on Day 3 and 4.69 L/h on Day 7. Zero patients experienced an AKI, two patients experienced liver injury, and no patients experienced infusion‐related reactions.

Conclusions

Our results demonstrate that in PwCF intermittent IV vancomycin steady‐state PK are similar to previously reported single‐dose IV vancomycin. Additionally, CLvanco minimally changes from Day 3 to Day 7, although this study was not powered to detect a difference.
The Influence of AP Addition on the Combustion Characteristics of TKX‐50 with Concentrated Ignition
Authors: Yan Zhiyu , Cao Xun , Tao Jun , Zhang Kun , Li Qianqian , Wang Jinhua , Huang Zuohua
Published: July 2022

In order to study the influence of ammonium perchlorate (AP) addition on the combustion reaction process of dihydroxylammonium 5,5’‐bistetrazole‐1,1’‐ diolate (TKX‐50), a concentrated ignition system was used to evaluate the ignition and combustion characteristics of the samples. The self‐luminescence characteristics and the OH concentration distribution in the flame of TKX‐50 and TKX‐50/AP composites were captured by a high‐speed camera and a planar laser induced fluorescence system (PLIF), respectively. The combustion products were then analyzed by a scanning electron microscope (SEM) and a X‐ray energy dispersive spectrometer (EDS). The results show that the reaction of TKX‐50 undergoes three stages with concentrated ignition, and a bright yellow color appears in the flame due to the formation of NH2α during the combustion process. When the materials of AP is added, there are pre‐ignition occurred for twice. The ignition delay time increases, and the reaction in the pyrolysis phase is more intense. Besides, the burning rate is faster and the flame brightness is significantly weakened due to the decrease of NH2α. During the combustion process, the high‐concentration OH signal of the two samples distribute on the two wings of the flames, and the peak signals are similar under the 10 Hz laser excitation. For the samples before and after the combustion reaction, the morphology is quite different, and the specific residue composition needs be further analyzed.
Effects of ligands on excitation energies of [UO2X4]2− and UO2X2 (X = F, Cl) with the equation‐of‐motion coupled‐cluster theory
Authors: Shen Guilin , Guo Minggang , Wang Zhifan , Wang Fan
Published: July 2022

Experimental excitation energies (EEs) of low‐lying states for uranyl halides are relatively independent of the type of the equatorial ligands, while many theoretical results indicate that the ligands have a significant effect on the electronic structure of uranyl. In this work, vertical and adiabatic EEs for [UO2X4]2− and UO2X2 (X = F, Cl) are compared at the same computational level, that is, the equation‐of‐motion coupled‐cluster method, to investigate effects of the number and type of ligands on EEs of uranyl. Furthermore, accuracy of a perturbative treatment of spin‐orbit coupling (SOC) on EEs of these molecules is also studied. Our results show that reliable EEs are achieved when a sufficient number of spin‐free excited states are considered in dealing with SOC perturbatively. Difference between the lowest adiabatic EEs for these molecules is calculated to be within 0.2 eV, which are in reasonable agreement with experimental results. On the other hand, difference between EEs for other higher states of [UO2X4]2− and those of UO2X2 is sizeable. In addition, reasonable EEs can still be obtained when the ligands are replaced by negative point charges. Our results indicate that the number of ligands has a more pronounced effect on EEs of these uranyl chlorides and fluorides than the type of the ligands.
A sufficient condition to design unknown input observers for nonlinear systems with arbitrary relative degree
Authors: Coutinho Pedro H. S. , Bessa Iury , Xie Wen‐Bo , Nguyen Anh‐Tu , Palhares Reinaldo Martínez
Published: July 2022

This article addresses the problem of state and unknown inputs (UIs) estimation for nonlinear systems with arbitrary relative degree with respect to the UIs. For this purpose, a novel nonlinear unknown input observer (UIO) is proposed, which is able to decouple the UIs by using the derivatives of the output signal. The error dynamics is attained by an exact handling and a factorization of its gradient to obtain a local polytopic representation suitable for input‐affine nonlinear systems. For that representation, a novel design condition based on convex optimization and linear matrix inequalities is proposed to exponentially stabilize the estimation error and to guarantee the validity of the proposed nonlinear UIO. Numerical simulations indicate the effectiveness of the proposed approach for different classes of nonlinear systems, for which the UIs could be totally decoupled from the state estimation.
A New Affinity Matrixe Synthesized from Aminobenzohydrazide Derivatives for Purification of Lactoperoxidase Enzyme
Authors: Kavaz Neslihan Macit , Erel Deniz , Korkmaz Işıl Nihan , Gerni Serpil , Abul Nurgül , Bayrak Songül , Köksal Zeynep , Kalın Ramazan , Öztekin Aykut , Özdemir Hasan
Published: July 2022

In this study, a new affinity process was developed for the purification of Lactoperoxidase with synthesized sixteen aminobenzohydrazide derivatives. For this purpose, ligands were covalently bound to CNBr‐activated Sepharose‐4B−L‐tyrosine matrix and affinity columns were prepared, and LPO was purified in one step with high yield and purity. Among all synthesized molecules, the 4‐amino‐3‐bromo‐2‐methylbenzohydrazide molecule had a high usable potential in the purification of Lactoperoxidase from mammalian milk. Lactoperoxidase was purified 411.8 times with a yield of 17.38 % from goat milk, 187.25 times with a yield of 9.72 % buffalo milk, 2772.4 times with a yield of 18.98 % from bovine milk, and 1246.65 times with a yield of 4.43 % from sheep milk. It was demonstrated for the first time that aminobenzohydrazide molecules could be used as ligands in the purification of Lactoperoxidase enzyme.
A Supercapacitor Electrode Synthesis Strategy: Proton Acid‐Treated Ti3C2TX Film with Single‐walled Carbon Nanotubes as a Reinforcement
Authors: Liu Xingmin , Zhou Reng , Yang Dongxu , Lu Shaowei , Wang Jijie , Liu Chunzhong , Wang Sai
Published: July 2022

High‐performance electrode materials are the key to advances in the energy storage area. 2D transition metal carbide Ti3C2TX is the most widely studied MXene with a unique two‐dimensional structure, exhibiting excellent electrochemical properties and becoming a new choice electrode material for supercapacitors in many studies However, the poor mechanical properties of pure the Ti3C2TX film has become the bottlenecks for the application. Ti3C2TX with less Li+ was prepared by proton acid colloid treatment, and then the single‐walled carbon nanotubes (SWCNTs) were used as interlayer barriers in the films to prevent Ti3C2TX layers from restacking to prepare Ti3C2TX and SWCNTs composite films. The composite films were tested and analyzed by different electrochemical techniques. The results showed that the film formed by MXene colloidal filtration after proton acid treatment was denser and the electrical conductivity reached 608700 S/m, which was 3.2 times higher than that of the original Ti3C2TX film. The composite film was prepared by mixing MXene colloidal proton acid treatment and SWCNTs, followed by filtration showd good capacitive capacity, reaching 270.5 F/g by testing in the 1 m H2SO4 electrolyte with the CV cycle of 5 mV/s. And the specific capacitance retention reaches 97.6 % under 5000 CV cycles. The tensile test of composite film shows that the ultimate strength up to 50.3 MPa, which is about 2.3 times compared to original Ti3C2TX film.
Biomass‐Assisted Synthesis of Tiny Tin Nanoparticles Embedded in Nitrogen/Oxygen Self‐Doped Carbon Nanosheets as High Performance Anode Materials for Sodium‐Ion Batteries
Authors: Mou Guizhen , He Fangzhen , Lin Yasu , Zhong Ming , Su Bitao
Published: July 2022

Constructing high‐performance anode materials through a simple and environmental method to push the development of sodium‐ion batteries (SIBs) is desired. Herein, in this work, waste biomass peanut shells were used as templates and reductor to fabricate a series of tiny tin nanoparticles embedded in nitrogen/oxygen self‐doped carbon (Sn@NOC) nanosheets via a convenient impregnation‐pyrolysis strategy. When evaluated as anodes for SIBs, the optimal Sn@NOC‐700 composite delivers the best electrochemical sodium storage performance with a high specific capacity, an excellent rate capability, and a long‐term cycling stability for 2000 cycles at the current density of 1000 mA g−1. In addition, the sodium storage kinetics was analyzed by cyclic voltammetry at various scanning rates, which indicates the dominant capacitance contribution to sodium ion transport.
Polyacrylonitrile fiber‐based heterogeneous catalysts for organic transformations
Authors: Zhang Juntao , Li Pengyu , Yang Yu , Ai Wenying , Liu Yuanyuan , Zhang Wenqin
Published: July 2022

Heterogeneous catalysis is an important way to realize green chemistry. Developing excellent heterogeneous catalysts by using appropriate supports is still a mainstream research area. Polyacrylonitrile fiber (PANF), a common textile material in our daily life, has excellent advantages of low cost, high strength, light density, mildew resistance, etc. Furthermore, PANF can be knitted into varieties of shapes, making them very suitable for fixed‐bed catalysis in industries. Consequently, PANF is a fine raw material for the synthesis of heterogeneous catalysts. Therefore, more and more PANF‐based heterogeneous catalysts had been developed and applied to various of reaction systems. In this paper, the research progress of PANF‐based catalysts was reviewed, and the research progress of different PANF catalytic systems and their applications in green chemistry were emphatically introduced, which provided reference to the development of PANF‐supported catalytic technology. Finally, the catalytic system supported by PANF is summarized and prospected.
Tuning Electrochemical Properties of Silver Nanomaterials by Doping with Boron: Application for Highly Non‐enzymatic Sensing of Hydrogen Peroxide
Authors: Yin Hang , Zhang Chongchao , Bai Xiao , Yang Ziyin , Liu Zhe
Published: July 2022

A new type of enzyme‐free electrochemical sensor with B−Ag nanomaterials as electrocatalyst was designed. The obtained nanomaterials were characterized by transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and powder X‐ray diffraction (XRD). The results show that B was successfully doped onto the surface of Ag, which reduces the particle size of Ag nanoparticles and expands the crystal plane spacing of Ag, therefore making Ag display larger specific surface area and faster electron transfer rate. The new enzyme‐free electrochemical sensor based on B−Ag shows high electrocatalytic activity for the H2O2 reduction and exhibits excellent sensing performance for the electrochemical detection of H2O2 with a wide range from 0.01 mM to 5.55 mM, a high sensitivity of 68.3 μA⋅mM−1cm−2 and a low detection limit of 0.04 μM. This study demonstrated B−Ag is a promising sensing material for electrochemical enzyme‐free sensors.
Synthesis of Biodiesel from Indigenous Xanthium Strumarium (Cocklebur) Non‐Edible Oil Available in Assam, India
Authors: Phukan Kandarpa , Chutia Gobinda Prasad , Chutia Sudipta
Published: July 2022

Xanthium strumarium seed oils had been investigated as a potential non‐edible biodiesel feedstock. The Xanthium strumarium seeds expressed about 38 % oil content via solvent extraction technique. Physicochemical parameters of oil such as acid value, iodine value, saponification value, etc. were determined experimentally to prove its feasibility for biodiesel production. The Xanthium strumarium methyl esters or biodiesel were synthesized via transesterification reaction using K2CO3 as a catalyst and a 97 % yield was attained at optimum reaction parameters. The characterization of produced biodiesel was done by fourier transform infrared (FTIR), proton nuclear magnetic resonance (1H NMR) and carbon‐13 nuclear magnetic resonance (13C NMR) spectroscopy. Gas chromatography‐mass spectrometry (GC‐MS) analysis was employed to determine the composition of fatty acid methyl esters of methylated oil. The fuel parameters like density, viscosity, acid value, calorific value, flash point, pour and cloud point of the biodiesel were evaluated as per American Society for Testing and Materials (ASTM) D6751 standard.
Synthesis of the Octameric Ring Containing Compound Caulerpin Using a Knoevenagel Reaction Catalyzed by an Amino Acid ‐ Ionic Liquid Solvent
Authors: Zheng Zhang‐Fan , Deng Hong , Cai Zi‐Jie , Liao Xiao‐Jian , Xu Shi‐Hai
Published: July 2022

A piperidine‐free synthesis for the biologically active molecule Caulerpin is presented. Methyl 2‐(3‐formyl‐1H‐indol‐2‐yl) acetate was synthesized and condensed into eight‐membered aromatic ring structure through an intermolecular Knoevenagel reaction was catalyzed using an amino acid‐ionic liquids solvent, giving yield of 61 %. Furthermore, five 2,3,6‐trifunctional indole derivatives with 6‐position substituents were used to obtain 6,6’‐disubstituted derivatives, with yields ranging from 23 % to 31 %. Bioactivity tests demonstrated that 6,6’‐difluorocaulerpin significantly inhibited the immortalized human lung cancer cell line HeLa, with the IC50 value 9.5 μg⋅mL−1.
Synthesis and In‐Situ Aggregation Plugging Capacity of Nanoparticles as Potential Deep Profile Control Agents
Authors: Shao Minglu , Gu Feng , Fu Lipei , Yue Xiangan
Published: July 2022

To address the poor injectivity of conventional chemicals, and the drawbacks of existing elastic polymer particles in deep conformance control of low permeability reservoirs, nanoparticles with self‐aggregation properties were fabricated in this study. The injectability, aggregation properties, and in‐situ aggregation plugging capacity of nanoparticles in the reservoir were systematically investigated. Results show that the increase of the ion concentration and cationic charge number is beneficial to the aggregation of nanoparticles. Moreover, the aggregation time was longer when sulfonic acid groups were grafted on the surface of nanoparticles. Core flooding experiments show that when the core permeability is between 50×10−3 μm and 450×10−3 μm, the nanoparticles with an average particle size of 252.9 nm can successfully propagate to the deep formation and plug water channeling areas through the particle clusters formed by in‐situ aggregation. The negative change of Gibbs free energy and enthalpy indicates the reduced energy of the mixture system in the process of aggregation of nanoparticles, which reveals the essence of aggregation of nanoparticles.
The Role of (BDMS) Bromodimethylsulfonium bromide as a Catalyst and Brominating Reagent: A Concise Overview
Authors: Jangir Nidhi , Agarwal Shikha , Jangid Dinesh K.
Published: July 2022

Bromodimethylsulfonium bromide (BDMS) is an expedient storage of molecular bromine or bromine radicals or bromonium ions and also of nucleophilic bromide ion. It is an easily available, inexpensive and versatile reagent. It is used as an effective brominating reagent as well as a valuable catalyst for several organic conversions. The prominent characteristics of this compound are the straight forwardness of the process, the ease of access of the compound, no requirement of chromatographic separation, no additional base, Lewis acid, or any other catalyst, better yields in comparatively less reaction times and assist to maintain the stoichiometric ratio during the reactions. The present article includes the catalytic applications as well as its brominating role in organic reactions.
Serine‐Assisted Red Luminescence of Copper Nanoclusters for Cr6+ Ion Detection and White‐Light‐Emitting Diodes
Authors: Cao Zheng , Yu Fanfan , Zhao Gan , Xiang Hui , He Shiyu , Zhang Mengting , Lin Jian , Yang Lina , Liu Honglin
Published: July 2022

A convenient and facile method was developed for preparing the red luminescent copper nanoclusters (Cu NCs) protected by a combination of 2‐thiobarbituric acid (TBA) and l‐serine (Ser). The synthesized Cu NCs show strong red luminescence with emission wavelength at 680 nm and a quantum yield of 2.5 %. The excellent emission property is attributed to the promoted surface ligand to metal charge transfer and increased surface structure rigidity. The Cu NCs exhibit high stability, abundant surface binding site, good water solubility, along with excitation and temperature dependent luminescent properties, presenting great application potentials. It was found that trace levels of hexavalent chromium (Cr6+) ions can quench the luminescence by inducing NCs aggregation and further growth, making Cu NCs the potential nanoprobe for Cr6+ ions detection with a limit of detection of 28 nM. Furthermore, the Cu NCs were well applied as the phosphor for fabricating white light emitting diodes (WLEDs) device.
MoSe2‐PANI Nanocomposite as Supercapacitor Electrode Material: Optimization, Mechanism and Electrochemical Performance
Authors: Mittal Honey , Kumar Arun , Khanuja Manika
Published: July 2022

In this report, MoSe2‐Polyaniline (PANI) nanocomposite with different amounts of MoSe2 (0.05 g, 0.1 g and 0.2 g) were synthesized via in‐situ oxidative polymerization method. The morphology and wt % ratio of nanocomposites was studied using Field emission scanning electron microscopy (FESEM) and Energy dispersive X‐ray spectroscopy (EDX), respectively. Atomic and weight concentration of the nanocomposite was calculated using X‐ray Photoelectron Spectroscopy (XPS) and the results were in agreement with EDX analysis. The optimum nanocomposite as the electrode material for supercapacitor showed the highest specific capacitance of 463 F/g at a scan rate of 5 mV/s and retains ∼72 % specific capacitance after 3000 charge‐discharge cycles. The MoSe2‐PANI nanocomposite attains an energy density of 19.6 Wh/kg at a power density of 12.7 W/kg. The enhancement in the electrochemical activity of the MoSe2‐PANI electrode was achieved by using synergetic effects of electrical double‐layer capacitors (MoSe2 nanosheets) and pseudocapacitors (Polyaniline nanofiber). MoSe2‐PANI nanocomposite showed improved electron and ion transfer mechanism and improvement in the wettability of the electrode material. The thermogravimetric analysis (TGA) confirmed that the nanocomposite has improved thermal stability with mass loss of 28 %. The Brunauer‐Emmett‐Teller (BET) study confirm the high surface area (61.147 m2 g−1) and pore volume (8.595 cm3 g−1) as compared to their pristine samples. The outstanding electrochemical performance has proved that MoSe2‐PANI nanocomposite has a great potential to be an electrode material in energy storage devices.
Highly Stretchable and Adhesive Poly (N, N‐dimethylacrylamide)/Laponite Nanocomposite Hydrogels for Wearable Sensor Devices
Authors: Zhou Xun , Xie Xinmin , Ma Xintao , Mu Qiyu , Gong Xuyang , Huang Zixu , Zhao Yi , Chu Xiaoxiao , Ma Hecheng , Xu Wenlong
Published: July 2022

As a polymeric soft material, hydrogel is a good candidate for smart skin‐like sensors. However, in practical applications conventional, hydrogels face the challenges of mechanical properties, poor electrical conductivity and inability to adhere well to the material surface to withstand high tensile strength. Therefore, the development of multifunctional hydrogels can solve some of these technical problems. In this work, we chose the nanoclay Laponite as a cross‐linking agent and prepared poly (N, N‐dimethylacrylamide)/Laponite nanocomposite (PDMAA/Laponite NC) hydrogels with excellent tensile (0.04∼0.08 MPa), adhesion (4.3 MPa) and electrochemical properties by initiating the free radical polymerization of polymer monomers under UV light. The hydrogel network is formed by multiple physical interactions between polymer chains and clay particles, conferring the reversible adhesion ability of the gel on various substrates. Considering the ease of preparation and comprehensive high performance, our nanocomposite hydrogels may have potential applications in wearable sensors and flexible electronic devices.
Synthesis of 3‐Haloisoxazolines by Deoxygenation of 3‐Haloisoxazoline N‐Oxides under Treatment with Acetyl Bromide
Authors: Fadeeva Anastasia A. , Ioffe Sema L. , Tabolin Andrey A.
Published: July 2022

A method for the preparation of 4,5‐disubstituted 3‐halo‐ (chloro‐, bromo‐) isoxazolines was developed. Acetyl bromide was found to be a convenient reducing agent for 3‐halosubstituted isoxazoline N‐oxides affording target deoxygenated derivatives in good yields. Compared to the literature examples, presented approach for the synthesis of 3‐haloisoxazolines is regioselective and does not require the use of hazardous phosgene oximes. Selective transformations of the obtained products were demonstrated.
High‐Performance Ternary Polymer Solar Cells by Blending Two “Y‐Series” Acceptors with Complementary Absorption Bands from Near‐Infrared Wavelengths to Medium Wavelengths and Enhancing Crystallinity
Authors: Man Jiaxiu , Liu Zhiyong
Published: July 2022

Ternary polymer solar cells (PSCs) consist of two structurally similar fullerene‐free small molecules as acceptors (Y11 and Y5), and D18‐Cl as polymer, which have better photovoltaic performance relative to D18‐Cl:Y11 binary PSC. The enhanced photovoltaic performance of the binary PSCs is mainly attributed to the significantly enhanced short circuit current density (JSC) and slightly enhanced fill factor. The enhanced JSC value is due to the 45 nm blueshift of the absorption peak of Y5 relative to Y11, which facilitates more efficient absorption of photons in the visible light‐wavelength band. Another reason for the enhanced JSC is the efficient charge transport and reduced exciton coupling. Meanwhile, the Y5 film has higher crystallinity and smaller lamellar spacing and π–π stacking distance relative to the Y11 film, and 35% of Y5 instead of Y11 is beneficial to improve the surface morphology, phase separation size, and crystallinity of the ternary photoactive layer. Therefore, the best ternary PSC shows higher open‐circuit voltage values relative to the D18‐Cl:Y6 binary reference PSC and higher JSC values relative to the D18‐Cl:Y11 binary PSC. Thus, blend fullerene‐free small molecules with similar molecular structures and different optical and electronic properties as acceptor materials are new insights for the development of ternary PSCs.
Influence of Partial Replacement of Co with Cu on Isothermal Transformation Kinetics in Ferritic/Martensitic Heat‐Resistant Steel
Authors: Ju Seokhwan , Lee Ho Hyeong , Shin Jong-Ho , Suh Dong-Woo
Published: July 2022

This study examines the influence of partial replacement of Co with Cu on isothermal transformation kinetics in 10Cr‐based heat‐resistant steels. Two kinds of heat‐resistant steels, having similar chemical compositions except for Co and Cu contents, are prepared and isothermally heat‐treated at 710–790 °C up to 240 h after austenitization. During isothermal heat treatment, austenite is decomposed via two different reactions, γ → α + M23C6 and γ → α; the cellular precipitation (γ → α + M23C6) nucleates at prior austenite grain boundaries or the interior of prior austenite grains and grows toward the interior of austenite, followed by γ → α transformation originating from C depletion in the remaining austenite. A time–temperature–transformation diagram exhibits that the partial replacement of Co with Cu not only decelerates the isothermal transformation kinetics but also lowers the nose temperature of transformation. The calculation of the driving forces for the successive reactions reveals that the increase of Cu content predominantly reduces the driving force for both γ → α + M23C6 and γ → α reactions, contributing to the lower nose temperature and sluggish transformation kinetics as Co is partially replaced with Cu.
Damage criterion approach to high‐strength steel RHS truss joints
Authors: Mohan Meera , Wilkinson Tim
Published: July 2022

This paper describes finite element simulations of the structural deformation and material fracture behaviour of high‐strength steel RHS K gap truss joints. The fundamental scope was to examine whether the joint strength predictions based on the behaviour of lower strength and more ductile steel with a yield stress of 355 MPa or less would hold good for higher strength 450 MPa steel with a lower ductility. The FEA reliability analysis indicates that for failure modes associated with local buckling, yielding and deformation (chord side wall failure, chord face plastification and brace failures due to reduced effective width), the existing approach could, with modifications, be extended to cover higher strength tubes, but for failure modes associated with fracture or ductility or modes liable to brittle failure (tearing in the tension brace and chord punching shear), a strength reduction modifying factor was required. The finite element simulations incorporated a damage mechanics approach to calibrate experimental results in both the fracture and deformation modes of failure. The paper proposes a new formulation for strength and incorporates reduced ductility in high‐grade steel with a modifier function that is not based on yield stress, instead recognizes the reduced ultimate strains, damage parameter for fracture and ultimate stress of the material.
Seasonal Movements and Spatial Overlap of Juvenile and Adult Lake Sturgeon in Lake Champlain
Authors: Izzo Lisa K. , Zydlewski Gayle Barbin , Marsden J. Ellen , Parrish Donna L.
Published: July 2022

The lake sturgeon Acipenser fulvescens is a large, long‐lived, potamodromous species that is widely distributed throughout freshwater systems in the central part of North America. In this study, we used acoustic telemetry to examine seasonal distribution and movement patterns of endangered Lake Sturgeon in Lake Champlain, Vermont. Acoustic tags were implanted in 29 juvenile Lake Sturgeon (453–874 mm TL) and 19 adults (1,215–1,615 mm TL) from the Winooski River and nearby areas of Lake Champlain between 2015 and 2019; tags were detected with 23 passive acoustic receivers deployed in the river and delta area and an additional 34 receivers deployed throughout Lake Champlain. Home range analysis using a lattice‐based density estimator indicated that juvenile home range sizes were the same as adult home range sizes in spring and summer but were statistically larger than adult home ranges in winter. Cumulative home range analysis showed that juvenile and adult home ranges overlapped in shallow (<10‐m) water in the summer and fall. In winter and spring, cumulative home ranges from juveniles included deepwater sites (>25 m), while adults remained in shallow water near the mouth of their spawning river. Seven juveniles made long‐range movements (18–34 km) during the winter and spring months, and 13 juveniles moved back into the lower section of their natal river after overwintering in Lake Champlain. This study is the first to directly compare adult and juvenile Lake Sturgeon distribution, home range size, movements, and habitat use in a large lake system and provides a baseline for further research on the movement ecology of Lake Sturgeon in Lake Champlain.
Conservation psychology and the legacy of Carol Saunders for zoo and aquarium programs, networks, practices, and exhibits
Authors: Grajal Alejandro , Becker David , Luebke Jerry F. , Vernon Cynthia
Published: July 2022

Conservation Psychology created a dialog between environmental conservation and behavioral sciences. With an outsized influence by Dr. Carol Saunders, it started at Brookfield Zoo in Chicago exploring questions about the impacts of a zoo visit, and particularly how human behavior influences environmental outcomes for our planet. Here we explore how Conservation Psychology influenced the development of programs, exhibits and communities of practice at Brookfield Zoo and elsewhere in the zoo and aquarium world, and how eventually these applications changed the way modern zoos and aquariums operate. We present testimonials and review a handful of examples in which Conservation Psychology led to tangible programs, practices and wide professional networks at zoos and aquariums. These include an exploration of the future of zoos with George Rabb, followed by the legacy of nature play and the groundbreaking Hamill Family Play Zoo. Furthermore, we discuss how visitor studies at zoos and aquariums were influenced by Conservation Psychology, including the development of the Association of Zoos and Aquariums Social Science Research and Evaluation Scientific Advisory Group and two climate change education networks. We end with the development of tools, practices, and professional networks to explore empathy for animals. Most of these programs were envisioned or facilitated by Dr. Saunders, who was always a role model with an impact and a legacy that lives on.
Practice and Energy Demand
Authors: Butler Catherine
Published: July 2022

This chapter introduces practice theory-inspired energy demand research focusing on key concepts and insights that speak to issues of inequality. The discussion explicates core ideas that have relevance in this respect, while also engaging with existing works that have sought to address questions of inequality from within practice-based energy research. The chapter then examines an important frontier in practice theory-inspired energy research of key relevance, I argue, for energy poverty—that of invisible energy policy. Finally, I move to draw together the different conceptual threads that have been laid out through the book thus far and raise key questions that emerge for analysis of energy poverty.
Conclusions: Reconceptualising Energy Poverty and Practice
Authors: Butler Catherine
Published: July 2022

This concluding chapter discusses the key contributions of the book reflecting on the insights produced through the analysis and the wider implications for research, policy, and practice. The significance of the analysis for energy poverty research is discussed, as is the relevance for practice theory-based scholarship on energy. Discussion reflects on the use of the capabilities approach within the analysis and how ideas about invisible energy policy and the constitution of need can be important for understanding energy poverty, but also explores the potential for bringing inequality more firmly into practice theory-based analyses.
A Kantian Argument Against Using Animals
Authors: Müller Nico Dario
Published: July 2022

This chapter illustrates how Kantianism for Animals can be used creatively by presenting a novel argument against animal use. Traditional ‘abolitionist’ arguments in animal ethics have focused on showing that animal use has objectionable consequences (such as disutility or rights violations) or objectionable preconditions (such as the property status of animals under the law). Kantianism for Animals enables another type of moral criticism focused on the ends we ought to endorse. Our beneficence to animals should only be limited by other moral duties to self and others, not by self-interest. The chapter discusses the implications of this argument and how it differs from received arguments.
b → cτ$$ \overline{\nu} $$e,μ contributions to R(D(*))
Authors: Bressler Shikma , De Vito Halevy Federico , Nir Yosef
Published: July 2022

Abstract

The R(D(*)) puzzle stands for a ~ 3σ violation of lepton flavor universality between the decay rates of B → D(*)τν and B → D(*)ℓν, where ℓ = e, μ. If it is accounted for by new physics, there is no reason in general that the relevant neutrinos are, respectively, ντ and νℓ. We study whether the τ related rate could be enhanced by significant contributions to B → D(*)τνℓ from a class of operators in the Standard Model Effective Field Theory (SMEFT). We find the upper bounds from forbidden or rare meson decays imply that the contributions from the lepton flavor violating processes account for no more than about 4% of the required shift. Yet, no fine-tuned flavor alignment is required for the new physics. Searching for the related high-pT process pp → τ±μ∓ can at present put a lower bound on the scale of the lepton flavor violating new physics that is a factor of 2.2 weaker than the bound from meson decays. An exception to our conclusion arises from a specific combination of scalar and tensor SMEFT operators.
Lattice QCD study of inclusive semileptonic decays of heavy mesons
Authors: Gambino Paolo , Hashimoto Shoji , Mächler Sandro , Panero Marco , Sanfilippo Francesco , Simula Silvano , Smecca Antonio , Tantalo Nazario
Published: July 2022

Abstract

We present an ab initio study of inclusive semileptonic decays of heavy mesons from lattice QCD. Our approach is based on a recently proposed method, that allows one to address the study of these decays from the analysis of smeared spectral functions extracted from four-point correlators on the lattice, where the smearing is defined in terms of the phase-space integration relevant to the inclusive decays. We present results obtained from gauge-field ensembles from the JLQCD and ETM collaborations, and discuss their relation with theoretical predictions from the operator-product expansion.
Strong Cosmic Censorship and eigenvalue repulsions for rotating de Sitter black holes in higher-dimensions
Authors: Davey Alex , Dias Óscar J. C. , Rodgers Paul , Santos Jorge E.
Published: July 2022

Abstract

It has been established that Christodoulou’s formulation of Strong Cosmic Censorship (SCC) is violated by Reissner-Nordström-de Sitter black holes, but holds in four-dimensional Kerr-de Sitter black holes. We show that SCC is also respected by equal angular momenta (cohomogeneity-1) Myers-Perry-de Sitter (MP-dS) in odd d ≥ 5 spacetime dimensions. This suggests that the preservation of SCC in rotating backgrounds might be a universal property of Einstein gravity and not limited to the d = 4 Kerr-dS background. As required to discuss SCC in de Sitter spacetimes, we also study important aspects of the scalar field quasinormal mode (QNM) spectra of MP-dS. In particular, we find eigenvalue repulsions similar to those recently observed in the QNM spectra of asymptotically flat Kerr-Newman black holes. For axisymmetric modes (i.e. with azimuthal quantum number m = 0) there are three distinct families of QNM (de Sitter, photon sphere and near-horizon). However, typically, for non-axisymmetric (m ≠ 0) QNMs, we find that the entire spectra can be described by just two families of QNM (since several overtone sections of the photon sphere and near-horizon families merge). For completeness, we also study the full scalar field QNM spectra of higher-dimensional Schwarzschild-de Sitter black holes.
More on fake GUT
Authors: Ibe Masahiro , Shirai Satoshi , Suzuki Motoo , Watanabe Keiichi , Yanagida Tsutomu T.
Published: July 2022

Abstract

It is remarkable that the matter fields in the Standard Model (SM) are apparently unified into the SU(5) representations. A straightforward explanation of this fact is to embed all the SM gauge groups into a simple group containing SU(5), i.e., the grand unified theory (GUT). Recently, however, a new framework “fake GUT” has been proposed. In this new framework, the apparent matter unification can be explained by a chiral gauge group G, G ⊃ SU(5). We emphasize that the SM matter fields are not necessarily embed- ded into the chiral representations to explain the apparent unification. In this paper, we discuss details of concrete realizations of the fake GUT model. We first study the model based on SU(5) × U(2)H, where SU(3)c in the SM is from SU(5) while SU(2)L× U(1)Y are from the diagonal subgroups of SU(5) × U(2)H. We also extend this model to the one based on a semi-simple group, SU(5) × SU(3)H, so that U(2)H is embedded in SU(3)H. We also show that this framework predicts rather different decay patterns of the proton, compared to the conventional GUT.
On partition functions and phases of scalars in AdS
Authors: Kakkar Astha , Sarkar Swarnendu
Published: July 2022

Abstract

We study the phases of scalar field theories in thermal AdSd+1 spaces for d = 1, 2, 3. The analysis is done for theories with global O(N) symmetry for finite as well as large N. The symmetry-preserving and symmetry-breaking phases are identified as a function of the mass-squared of the scalar field and temperature. On the way we also describe a method for computing one-loop partition function for scalar field on thermal AdSd+1 for arbitrary d that reproduces results known in the literature. The derivation is based on the method of images and uses the eigenfunctions of the Laplacian on Euclidean AdS.
Hypernatriämie und Polyurie bei einer Patientin mit Erstdiagnose einer sekundären akuten myeloischen Leukämie
Authors: Aydilek E. , Jäger K. , Xhaxho K. , Akdas R. , Wallbach M. , Wulf G. , Brökers N.
Published: July 2022

Dargestellt wird der Krankheitsverlauf einer 66-jährigen Patientin mit der Erstdiagnose einer akuten myeloischen Leukämie. Als paraneoplastisches Syndrom zeigten sich eine Hypernatriämie sowie Polyurie infolge eines zentralen Diabetes insipidus (CDI), welcher mittels Desmopressingabe kontrolliert werden konnte. Nach Einleitung einer Induktionstherapie kam es im Verlauf nach Beendigung der Desmopressintherapie noch vor Anstieg des Blastenanteils zu einer erneuten Hypernatriämie und Polyurie als Hinweis auf eine primäre Refraktärität.
Smaller intercondylar notch size and smaller ACL volume increase posterior cruciate ligament rupture risk
Authors: van Kuijk K. S. R. , Reijman M. , Bierma-Zeinstra S. M. A. , Meuffels D. E.
Published: July 2022

Purpose

Little is known about risk factors for sustaining a posterior cruciate ligament (PCL) rupture. Identifying risk factors is the first step in preventing a PCL rupture from occurring. The morphology of the knee in patients who ruptured their PCL may differ from that of control patients. The hypothesis was that the intercondylar notch dimensions, 3-D volumes of the intercondylar notch and, the 3-D volumes of both the ACL and the PCL were correlated to the presence of a PCL rupture.

Methods

The magnetic resonance imaging (MRI) scans of 30 patients with a proven PCL rupture were compared to 30 matched control patients with proven intact ACL and PCL. Control patients were selected from patients with knee trauma during sports but without cruciate ligament injury. Patients have been matched for age, height, weight, BMI, and sex. The volumes of the intercondylar notch and both the ACL and PCL were measured on 3D reconstructions. Second, the bicondylar width, the notch width, and the notch width index were measured of all subjects. The relationship between our measurements and the presence of a PCL rupture was analysed.

Results

The results show a significant difference in the volumes of the intercondylar notch and the ACL between patients with a ruptured PCL and control patients. Patients with a PCL rupture have smaller intercondylar notch volumes and smaller ACL volumes. There were no significant differences in the bicondylar width, notch width, and notch width index. In the control patients, a significant correlation between the volume of the PCL and the volume of the ACL was found (0.673, p < 0.001).

Conclusion

Patients with a PCL rupture have smaller intercondylar volumes and smaller ACL volumes when compared to control patients. Second, patients with smaller ACL volumes have smaller PCL volumes. This study shows, for the first time, that there are significant size and volume differences in the shape of the knee between patients with a PCL rupture and control patients.

Level of evidence

IV.