bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractBackgroundAntibiotics 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.MethodsAdult 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.ResultsThirteen 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.ConclusionsOur 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

AbstractIn 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

AbstractExperimental 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

AbstractThis 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

AbstractIn 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

AbstractHigh‐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

AbstractConstructing 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

AbstractHeterogeneous 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

AbstractA 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

AbstractXanthium 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

AbstractA 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

AbstractTo 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

AbstractBromodimethylsulfonium 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

AbstractA 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

AbstractIn 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

AbstractAs 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

AbstractA 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.
Damage criterion approach to high‐strength steel RHS truss joints
Authors: Mohan Meera , Wilkinson Tim 
Published: July 2022

AbstractThis 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.