bluuebunny/crossref_metadata_2025 huggingface dataset:
Fast Charging Limits of Ideally Stable Metal Anodes in Liquid Electrolytes
Authors: Ma Bingyuan , Bai Peng
Published: January 2022

Next‐generation high‐energy‐density batteries require ideally stable metal anodes, for which smooth metal deposits during battery recharging are considered a sign of interfacial stability that can ensure high efficiency and long cycle life. With the recent successes, whether the absolute morphological stability guarantees absolute electrochemical stability and safety has emerged as a critical question to be investigated in systematic experiments under practical conditions. Here, the ideally stable ingot‐type sodium metal anode is used as a model system to identify the fast‐charging limits, that is, highest safe current density, of metal anodes. The results show that metal penetration can still occur at relatively low current densities, but the overpotentials at the penetration depend on the pore sizes of the separators and surprisingly follow a simple mathematical model developed as the Young–Laplace overpotential. This study suggests that the success of stable metal batteries with even the ideally smooth metal anode requires the holistic design of the electrolyte, separator, and metal anodes to ensure penetration‐free operation.
Boosting the Thermoelectric Performance of PbSe from the Band Convergence Driven By Spin‐Orbit Coupling
Authors: Cai Jianfeng , Yang Junxuan , Liu Guoqiang , Xu Liang , Wang Xuemei , Hu Haoyang , Tan Xiaojian , Jiang Jun
Published: January 2022

PbSe has been expected to be a competitor of the excellent thermoelectric material PbTe, whereas its performance has proved to be limited by its intrinsic electronic structure. In this work, the improved thermoelectric performance of PbSe originating in the novel spin‐orbit coupling effect is reported. By alloying with NaSbSe2, valence band convergence and bandgap enlargement are achieved in PbSe, resulting in a significantly enlarged Seebeck coefficient. Theoretical calculations indicate that a modified electronic structure by spin‐orbit coupling would lead to exotic thermoelectric properties and that it prefers a lower carrier concentration than the known optimal value for PbSe. When Cd‐doping is introduced to decrease the carrier concentration, a high peak ZT of 1.6 at 850 K and a remarkable average ZT of 0.95 are obtained in Pb0.8Na0.1Sb0.08Cd0.02Se. Among the reported high ZT PbSe‐based compounds, the sample exhibits the highest Seebeck coefficient and lowest thermal conductivity. This study provides an insight into band structure tuning of Lead chalcogenides and promotes a new strategy for the optimization of thermoelectric performance.
Progress and Perspectives of Organosulfur for Lithium–Sulfur Batteries
Authors: Pan Zhiyong , Brett Dan J. L. , He Guanjie , Parkin Ivan P.
Published: January 2022

Lithium–sulfur batteries (LSBs) with high theoretical capacity are regarded as the most promising candidates for next‐generation energy storage systems. However, the low conductivity, high volume change, and shuttle effect need to be addressed before the commercialization of LSBs. Organosulfur with covalent CS bonds can solve these problems when applied as different components of LSBs. Recent advances of application of organosulfur as cathodes, electrolytes, interlayers, and binders in LSBs are reviewed. Finally, the prospects for organosulfur are proposed from both the perspectives of mechanism understanding and practical applications.
Safety, efficacy, and operability of a newly developed absorbable adhesion barrier (GM142) in patients with primary rectal cancer scheduled for diverting ileostomy during laparoscopic surgery: Randomized controlled trial
Authors: Watanabe Jun , Yamaguchi Shigeki , Takemasa Ichiro , Yasui Masayoshi , Hirano Yasumitsu , Nakano Daisuke , Shiomi Akio , Munakata Shinya , Naito Masanori , Tsukamoto Shunsuke , Ishibe Atsushi , Kuriu Yoshiaki , Uchima Yasutake , Mori Shinichiro , Kanazawa Hideki , Wakabayashi Go , Yamada Takeshi , Ezu Muneaki , Watanabe Masahiko , Kinugasa Yusuke
Published: January 2022

Aim

The aim of this study was to compare the outcomes of GM142, a newly developed gelatin film with a concave and convex structure to a commercially available conventional film, hyaluronate‐carboxymethylcellulose.

Methods

Patients with primary rectal cancer who were scheduled for diverting ileostomy during laparoscopic surgery were eligible for this study. Patients were randomized before surgery and an antiadhesion film was applied under the umbilical incision. The primary outcome was the incidence of adhesion under the midline incision confirmed by second‐look surgery for diverting ileostomy closure. The secondary outcomes were the adhesion severity score, the extent of adhesion score, the presence of intestinal obstruction, and the success of all patching.

Results

A total of 146 patients were enrolled. A total of 123 patients were included in the full analysis set. The primary outcome of “no adhesion” was observed in 66.1% in the GM142 group and 55.7% in the conventional film group. The noninferiority of GM142 to conventional film was confirmed (P = .0005). The secondary outcomes were similar between the groups. For the safety evaluation, there were no safety concerns regarding allergic reactions to gelatin or increased gelatin‐specific IgE antibody titers.

Conclusions

The noninferiority of GM142 to conventional film was shown. GM142 showed no major safety issues. The clinical safety profiles of GM142 suggested certain physiological benefits of the gelatin film as an adhesion barrier.
3D Dirac Semimetal Supported Tunable TE Modes
Authors: He Xiaoyong , Liu Feng , Lin Fangting , Shi Wangzhou
Published: January 2022

The tunable propagation properties of transverse electric (TE) plasmonic modes have been investigated in the mid‐IR spectral region by using air‐Dirac semimetal (DSM)‐Si asymmetric structures, including the effects of Fermi levels, temperatures, and scattering times. The results manifest that on the condition that the Fermi level of DSM layer is not very large (2|μc|<ℏω) and temperature is relatively high (about 100 K), the proposed DSM asymmetric structure supports obvious TE modes, which is quite different from the graphene symmetric structure limited to low liquid helium temperature. The transition frequency increases with Fermi level, the peak position of the real part and the saturation region of the imaginary part of effective index indicates an obvious blue shift. As temperature decreases, the contribution of interband transition becomes stronger, the 3D DSM indicates better dielectric properties and sustains stable TE mode. If scattering time is shorter than 0.1 ps, its effects on the propagation properties are very strong, resulting in a redshift of the real part of effective index. The results are very helpful to understand the tunable properties of DSM TE structures and aid the design of novel plasmonic devices, such as polarizers, modulators, and filters.
Improving Atom–Mirror Entanglement and Mechanical Squeezing in a Modulated Optomechanical System
Authors: Guo Jin‐Liang , Zhai Le‐Le
Published: January 2022

In this paper, the macroscopic quantum entanglement and squeezing in an unresolved‐sideband atom‐optomechanical system with a modulated optical parametric amplifier (OPA) inside the cavity are studied. Increasing the parametric gain of the OPA, the quantum‐classical correspondence between the atom‐mirror entanglement and classical nonlinear dynamics can be found. The critical point where the system experiences the transition from periodic oscillation to period‐doubling motion can be characterized by the singularity of the atom–mirror entanglement. Furthermore, the dependence of the atom–mirror entanglement and mechanical squeezing on the detuning and the parametric gain of the OPA as well as the environment temperature are investigated in detail. It is found that the atom‐mirror entanglement can be enhanced and the mechanical squeezing can be generated by modulating the OPA.
A Multiplexed Cell‐Free Assay to Screen for Antimicrobial Peptides in Double Emulsion Droplets
Authors: Nuti Nicola , Rottmann Philipp , Stucki Ariane , Koch Philipp , Panke Sven , Dittrich Petra S.
Published: January 2022

The global surge in bacterial resistance against traditional antibiotics triggered intensive research for novel compounds, with antimicrobial peptides (AMPs) identified as a promising candidate. Automated methods to systematically generate and screen AMPs according to their membrane preference, however, are still lacking. We introduce a novel microfluidic system for the simultaneous cell‐free production and screening of AMPs for their membrane specificity. On our device, AMPs are cell‐free produced within water‐in‐oil‐in‐water double emulsion droplets, generated at high frequency. Within each droplet, the peptides can interact with different classes of co‐encapsulated liposomes, generating a membrane‐specific fluorescent signal. The double emulsions can be incubated and observed in a hydrodynamic trapping array or analyzed via flow cytometry. Our approach provides a valuable tool for the discovery and development of membrane‐active antimicrobials.
Hydrogen‐Bonded Metal–Nucleobase Frameworks for Efficient Separation of Xenon and Krypton
Authors: Liu Ying , Wu Hui , Guo Lidong , Zhou Wei , Zhang Zhiguo , Yang Qiwei , Yang Yiwen , Ren Qilong , Bao Zongbi
Published: January 2022

Xe/Kr separation is an industrially important but challenging process owing to their inert properties and low concentrations in the air. Energy‐effective adsorption‐based separation is a promising technology. Herein, two isostructural hydrogen‐bonded metal–nucleobase frameworks (HOF‐ZJU‐201 and HOF‐ZJU‐202) are capable of separating Xe/Kr under ambient conditions and strike an excellent balance between capacity and selectivity. The Xe capacity of HOF‐ZJU‐201a reaches 3.01 mmol g−1 at 298 K and 1.0 bar, while IAST selectivity and Henry's selectivity are 21.0 and 21.6, respectively. Direct breakthrough experiments confirmed the excellent separation performance, affording a Xe capacity of 25.8 mmol kg−1 from a Xe/Kr mixed‐gas at dilute concentrations. Density functional theory calculations revealed that the selective binding arises from the enhanced polarization in the confined electric field produced by the electron‐rich anions and the electron‐deficient purine heterocyclic rings.
Sensitive Logic Nanodevices with Strong Response for Weak Inputs
Authors: Lv Wen Yi , Li Chun Hong , Yang Fei Fan , Li Yuan Fang , Zhen Shu Jun , Huang Cheng Zhi
Published: January 2022

Sensitive sensing is critical when developing new calculation systems with weak input signals (ISs). In this work, a “weak‐inputs‐strong‐outputs” strategy was proposed to guide the construction of sensitive logic nanodevices by coupling an input‐induced reversible DNA computing platform with a hybridization chain reaction‐based signal amplifier. By rational design of the sequence of computing elements (CEs) so as to avoid cross‐talking between ISs and signal amplifier, the newly formed logic nanodevices have good sensitivity to the weak ISs even at low concentrations of CEs, and are able to perform YES, OR, NAND, NOR, INHIBIT, INHIBIT‐OR and number classifier operation, showing that the DNA calculation proceeds in dilute solution medium that greatly improves the calculation proficiency of logic nanodevices without the confinement of the lithography process in nanotechnology.
Ni@C@CNT catalyst derived from CNT doped Ni‐MOF for furfural hydrogenation to tetrahydrofurfuryl alcohol
Authors: Wang Yuan , Liu Shanshan , Guo Qirui , Zhang Yidong
Published: January 2022

Conversion of biomass‐derived furfural platform compound to value‐added tetrahydrofurfuryl alcohol (THFL) molecule is a sustainable route, and an efficient nonnoble metallic catalyst is a key factor for this reaction. In this work, Ni@C@CNT composite as a highly effective catalyst for hydrogenation of furfural to tetrahydrofurfuryl alcohol was synthesized by one‐step pyrolysis of Ni‐centered metal organic framework (Ni‐MOF) doping with carbon nanotube (CNT). For comparison, Ni@C catalyst derived directly from Ni‐MOF was also synthesized. The characterization results show that the doping of CNT promotes high dispersion of active sites and formation of Ni3C phase which has Pt‐like catalytic activity. Therefore, the obtained Ni@C@CNT exhibited excellent activity in furfural hydrogenation (99.1% furfural conversion and 94.7% THFL yield at 120°C, 4 h, 4‐MPa initial hydrogen pressure). Ni@C@CNT also shows good stability in reuse test. Current work presents a facile method for preparation of nonnoble metallic catalysts with high efficiency.
Heat resistive, binder‐free 3d‐dough composite as a highly potent flame‐retardant
Authors: Dhumal Pratik S. , Lokhande Kshama D. , Bondarde Mahesh P. , Bhakare Madhuri A. , Some Surajit
Published: January 2022

We have synthesized sodium polyacrylate and bentonite supported phosphorous functionalized flame retardant (FR) dough material. The dough material has flame retardant and heat insulator properties. The combination of sodium polyacrylate and bentonite provided strength and flexibility, whereas the phosphorus functionalities contributed the flame retardant property to the FR‐dough. The major benefit of the FR‐dough composite is that it can be simply converted into any 3D shape without the use of any binder and can be easily connected to any surface area without the use of any adhesives. The FR‐dough was successfully applied on the wood stick and electric wire for the flame‐retardant test. These coated materials were sustained on the flame for more than 120 s without any damage, while the only sample burnt out within the 40 s. The flame retardancy and heat resistance properties of the material have been confirmed by conducting a Bunsen burner test as the burner can attain a temperature up to 1500°C. The composite also has smoke absorption and self‐healing properties along with flame retardant and heat resistive properties. This approach has a high potential in the mass production of this multifunctional FR‐dough composite.
No Added Value of Duloxetine in Patients With Chronic Pain due to Hip or Knee Osteoarthritis: A Cluster‐Randomized Trial
Authors: van den Driest Jacoline J. , Schiphof Dieuwke , Koffeman Aafke R. , Koopmanschap Marc A. , Bindels Patrick J. E. , Bierma‐Zeinstra Sita M. A.
Published: January 2022

Objective

To assess the effectiveness of duloxetine in addition to usual care in patients with chronic osteoarthritis (OA) pain. The cost‐effectiveness and whether the presence of symptoms of centralized pain alters the response to duloxetine were secondary objectives.

Methods

We conducted an open‐label, cluster‐randomized trial. Patients with chronic hip or knee OA pain who had an insufficient response to acetaminophen and nonsteroidal antiinflammatory drugs were included. Randomization took place at the general practice level, and patients received duloxetine (60 mg/day) in addition to usual care or usual care alone. The presence of centralized pain was defined as a modified PainDETECT Questionnaire score >12. The primary outcome measure was Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) pain scores (scale 0–20) at 3 months after the initiation of treatment. Our aim was to detect a difference between the groups of a clinically relevant effect of 1.9 points (effect size 0.4). We used a linear mixed model with repeated measurements to analyze the data.

Results

In total, 133 patients were included, and 132 patients were randomized into treatment groups. A total of 66 patients (at 31 practices) were randomized to receive duloxetine in addition to usual care, and 66 patients (at 35 practices) were randomized to receive usual care alone. We found no differences in WOMAC pain scores between the groups at 3 months (adjusted difference –0.58 [95% confidence interval (95% CI) –1.80, 0.63]) or at 12 months (adjusted difference –0.26 [95% CI –1.86, 1.34]). In the subgroup of patients with centralized pain symptoms, we also found no effect of duloxetine compared to usual care alone (adjusted difference –0.32 [95% CI –2.32, 1.67]).

Conclusion

We found no effect of duloxetine added to usual care compared to usual care alone in patients with chronic knee or hip OA pain. Another trial including patients with centralized pain symptoms should be conducted to validate our results.
Recent Advances in the Domain of Cyclic (Alkyl)(Amino) Carbenes
Authors: Kumar Kushvaha Saroj , Mishra Ankush , Roesky Herbert W. , Chandra Mondal Kartik
Published: January 2022

Isolation of cyclic (alkyl) amino carbenes (cAACs) in 2005 has been a major achievement in the field of stable carbenes due to their better electronic properties. cAACs and bicyclic(alkyl)(amino)carbene (BicAAC) in essence are the most electrophilic as well as nucleophilic carbenes are known till date. Due to their excellent electronic properties in terms of nucleophilic and electrophilic character, cAACs have been utilized in different areas of chemistry, including stabilization of low valent main group and transition metal species, activation of small molecules, and catalysis. The applications of cAACs in catalysis have opened up new avenues of research in the field of cAAC chemistry. This review summarizes the major results of cAAC chemistry published until August 2021.
Recent Advances in Constructing Higher‐Order DNA Structures
Authors: Wang Jing , Wang Dong‐Xia , Liu Bo , Jing Xiao , Chen Dan‐Ye , Tang An‐Na , Cui Yun‐Xi , Kong De‐Ming
Published: January 2022

Molecular self‐assembly is widely used in the fields of biosensors, molecular devices, efficient catalytic materials, and medical biomaterials. As the carrier of genetic information, DNA is a kind of biomacromolecule composed of deoxyribonucleotide units. DNA nanotechnology extends DNA of its original properties as a molecule that stores and transmits genetic information from its biological environment by taking advantage of its unique base pairing and inherent biocompatibility to produce structurally‐defined supramolecular structures. With the continuously development of DNA technology, the assembly method of DNA nanostructures is not only limited on the basis of DNA hybridization but also other biochemical interactions. In this review, we summarize the latest methods used to construct higher‐order DNA structures. The problems of DNA nanostructures are discussed and the future directions in this field are provided.
Robust tool wear monitoring system development by sensors and feature fusion
Authors: Lin Yu‐Ru , Lee Ching‐Hung , Lu Ming‐Chyuan
Published: January 2022

This study introduces a tool wear monitoring system that uses multiple sensors and a feature fusion technique. To improve the robustness of the system, different tightening torque and spindle speed conditions were considered in the experimental design stage. Vibration signals in three coordinates and sound signals were collected and transformed by fast Fourier transform for feature extraction. Two types of features in the frequency domain were used to establish the proposed system, including the mean value features selected by the class mean scatter feature selection criterion and statistical features by Gradient Class Activation Mapping++ (Grad‐CAM++). The proposed monitoring system was established using a hierarchical neural network structure and feature fusion of the sensors. Cross‐validation was introduced to demonstrate the performance and effectiveness of our approach under various tightening torque values and spindle speeds.
Distributed appointed‐time prescribed performance attitude coordinated tracking for multiple rigid spacecraft under directed communication topology
Authors: Shi Xiao‐Ning , Zhou Zhi‐Gang , Zhou Di , Chen Xinwei
Published: January 2022

This paper addresses appointed‐time attitude coordinated control problem of multiple spacecraft under the directed communication topology in presence of input saturation. With only a subset of spacecrafts being able to access the information of the reference trajectory, a distributed observer is developed for each spacecraft to estimate the virtual leader's state in fixed time. Subsequently, to ensure the tracking error can achieve the preassigned transient and steady state performance, an adaptive backstepping controller is synthesized by incorporating an appointed‐time performance function with the asymmetric tan‐type barrier Lyapunov function (BLF). Furthermore, to tackle the input saturation constraint, a Nussbaum‐type function is incorporated to compensate for the time‐varying nonlinear gain arising from the derivative of the nonlinear approximation function. Different from most existing finite‐time coordination protocols, the convergence time can be appointed by the user without resorting to judicious control parameters selection. Finally, numerical simulation is conducted to assess the efficacy of the theoretical results.
ISS control for continuous‐time systems with filtered time‐varying parameter and saturating actuators
Authors: Ferreira Gabriel O. , Figueiredo Larissa S. , Lacerda Márcio J. , Leite Valter J. S.
Published: January 2022

This paper presents new convex conditions to design robust and linear parameter varying (LPV) gains for continuous time‐varying systems subject to saturating actuator and energy bounded disturbances. The input‐to‐state stability conditions are used to design controllers ensuring the minimization of the
‐gain between the disturbance input and the controlled output. Furthermore, optimization procedures to maximize the estimate of the region of attraction, and the bound to the control signal as well, are formulated. The efficacy of the proposed methods is illustrated with numerical examples, including a reference tracking problem, where realistic simulations are performed.
Distributed cubature Kalman filtering for nonlinear systems with stochastic communication protocol
Authors: Ju Yamei , Liu Dan , Ding Derui , Wei Guoliang
Published: January 2022

This paper is concerned with the distributed cubature Kalman filtering (DCKF) for a class of discrete time‐varying nonlinear systems subject to stochastic communication protocol (SCP). In order to avoid the data collisions, the SCP is introduced to randomly schedule each sensor node information from one of the neighboring nodes to the filter which is presented via not only the information of itself sensor but also the information of neighboring sensors. The considered scheduling probability of the selected node is unknown. Therefore, the exact filtering error covariance is not available. The purpose of this paper is to design a DCKF under the spherical–radial cubature rule such that an upper bound of the filtering error covariance is guaranteed by utilizing fundamental inequality. Such an upper bound is dependent on known upper and lower bounds of the scheduling probabilities. Subsequently, the desired filter matrices are given by minimizing the upper bound of the filtering error. A sufficient condition is derived by using Riccati‐like difference equations method. Besides, a recursive form of filter algorithm is designed for online computation. Finally, the usefulness of the DCKF is verified by utilizing a simulation example on the induction machines.
The Variance Gamma++ process and applications to energy markets
Authors: Gardini Matteo , Sabino Piergiacomo , Sasso Emanuela
Published: January 2022

The purpose of this article is to introduce a new Lévy process, termed the Variance Gamma++ process, to model the dynamics of assets in illiquid markets. Such a process has the mathematical tractability of the Variance Gamma process and is obtained by applying the self‐decomposability of the gamma law. Compared to the Variance Gamma model, it has an additional parameter representing the measure of the trading activity. We give a full characterization of the Variance Gamma++ process in terms of its characteristic triplet, characteristic function, and transition density. In addition, we provide efficient path simulation algorithms, both forward and backward in time. We also obtain an efficient “integral‐free” explicit pricing formula for European options. These results are instrumental to apply Fourier‐based option pricing and maximum likelihood techniques for the parameter estimation. Finally, we apply our model to illiquid markets, namely to the calibration of European power futures market data. We accordingly evaluate exotic derivatives using the Monte Carlo method and compare these values to those obtained using the Variance Gamma process and give an economic interpretation. Finally, we illustrate an extension to the multivariate framework.
2‐Amino‐5‐substituted‐1,3,4‐oxadiazole as chemosensor for Ni(II) ion detection: antifungal, antioxidant, DNA binding, and molecular docking studies
Authors: Sultana Razia , Arif Rizwan , Rana Manish , Ahmedi Saiema , Mehandi Rabiya , Akrema  , Manzoor Nikhat , Rahisuddin
Published: January 2022

An oxadiazole derivative 2 was prepared by condensation reaction through cyclization of semicarbazone in the presence of bromine; the structural confirmation was supported by1H and13C nuclear magnetic resonance (NMR) spectroscopy, Fourier transform‐infrared spectroscopy, and liquid chromatography‐mass spectrometry. Its sensing ability towards Ni2+ion was examined showing a binding constant of 1.04 × 105compared with other suitable metal cations (Ca2+, Co2+, Cr3+, Ag+, Pb2+, Fe3+, Mg2+, and K+) using ultraviolet–visible (UV–vis) and fluorescence spectroscopic studies. The minimum concentration of Ni2+ions and limit of detection was found to be 9.4 μM. A job's plot gave the binding stoichiometry ratio of oxadiazole derivative 2 vs Ni2+ions as 2:1. Furthermore, the intercalative binding mode of oxadiazole derivative 2 with calf thymus DNA was supported by ultraviolet–visible (UV–vis) and fluorescent light, viscosity, cyclic voltammetry, time‐resolved fluorescence, and circular dichroism measurements. The molecular docking result gave the binding score for oxadiazole derivative 2 as −6.5 kcal/mol, which further confirmed the intercalative interaction. In addition, the antifungal activity of oxadiazole derivative 2 was also screened against several fungal strains (C. albicans,C. glabrata, andC. tropicalis) by broth dilution and disc diffusion methods. In antioxidant studies, the oxadiazole derivative 2 showed potential scavenging activity against 2,2‐diphenyl‐1‐picrylhydrazyl and H2O2free radicals.
Optimization of extraction process and the antioxidant activity spectrum–effect relationship of Angelica dahurica
Authors: Yang Hanting , Li Qian
Published: January 2022

Despite the large number of studies indicating that Angelica dahurica has strong antioxidant capacity, there are no clear details on the specific antioxidant components involved. In this study, the chromatograms and antioxidant activity of A. dahurica were obtained by gas chromatography–mass spectrometry (GC–MS) and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH), 2‐azino‐bis‐(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS) and ferric ion reducing antioxidant power (FRAP) methods. The factors affecting free radical scavenging were investigated under different extraction conditions, on the basis of the single‐factor experiment. The results showed that the optimum conditions for the DPPH method were ultrasonic extraction, using 80% methanol as extract the extraction solvent, a 20:1 (ml/g) ratio of liquid to material and an extraction time of 30 min. Furthermore, the spectrum–effect relationship between the GC–MS chromatograms and the antioxidant effect of A. dahurica was established to evaluate the antioxidant components of A. dahurica using multiple data analysis methods. Isoimperatorin and byakangelicol made the greatest contribution to scavenging DPPH free radicals and ferric‐reducing antioxidant power. This result may provide the basis for developing new and effective products based on the antioxidant ingredients of A. dahurica.
Fabrication and Characterization of Thymol‐Loaded Chitosan Nanogels: Improved Antibacterial and Anti‐Biofilm Activities with Negligible Cytotoxicity
Authors: Piri‐Gharaghie Tohid , Beiranvand Sheida , Riahi Anali , Shirin Neda Jegargoshe , Badmasti Farzad , Mirzaie Amir , Elahianfar Yalda , Ghahari Somayeh , Ghahari Sajjad , Pasban Kamal , Hajrasouliha Shadi
Published: January 2022

Thymol is a monoterpene phenolic derivative extracted from the Thymus vulgaris which has antimicrobial effects. In the present study, thymol‐loaded chitosan nanogels were prepared and their physicochemical properties were characterized. The encapsulation efficiency of thymol into chitosan and its stability were determined. The in vitro antimicrobial and anti‐biofilm activities of thymol‐loaded chitosan nanogel (Ty‐CsNG), free thymol (Ty), and free chitosan nanogel (CsNG) were evaluated against both Gram‐negative and Gram‐positive multidrug‐resistant (MDR) bacteria including Staphylococcus aureus, Acinetobacter baumanii, and Pseudomonas aeruginosa strains using the broth microdilution and crystal violet assay, respectively. After treatment of MDR strains with sub‐minimum inhibitory concentration (Sub‐MIC) of Ty‐CsNG, free Ty and CsNG, biofilm gene expression analysis was studied. Moreover, cytotoxicity of Ty‐CsNG, free Ty, and CsNG against HEK‐293 normal cell line was determined using MTT (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide) method. The average size of Ty‐CsNG was 82.71±9.6 nm, encapsulation efficiency was 76.54±0.62 % with stability up to 60 days at 4 °C. Antibacterial activity test revealed that Ty‐CsNG reduced the MIC by 4–6 times in comparison to free thymol. In addition, the expression of biofilm‐related genes including ompA, and pgaB were significantly down‐regulated after treatment of strains with Ty‐CsNG (P<0.05). In addition, free CsNG displayed negligible cytotoxicity against HEK‐293 normal cell lines and presented a biocompatible nanoscale delivery system. Based on the results, it can be concluded that Ty‐CsNG can be considered a promising candidate for enhancing antimicrobial and anti‐biofilm activities.
Pseudocapacitive Contribution in Amorphous FeVO4 Cathode for Lithium‐Ion Batteries
Authors: Liu Tianwei , Liu Yadong , Niu Chaoqun , Chao Zisheng
Published: January 2022

Amorphous iron vanadate (FeVO4) nanoparticle cathode materials are successfully synthesized through a facile, efficient, and high‐yielding ion exchange‐liquid precipitation method. The composition, structure, morphology, surface area, and electrochemical performances of the synthesized materials have been characterized by the Thermogravimetric‐Differential scanning calorimetry (TG‐DSC), X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), X‐ray photon spectroscopy (XPS), Brunauer‐Emmet‐Teller (BET), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), respectively. The electrochemical performance results indicate that the amorphous FeVO4 delivers a specific capacity as high as 275 mAh g−1 at 0.1 C in a voltage range of 1.5–4.5 V. The excellent electrochemical performances can be ascribed to the pseudocapacitive behavior. The systematic kinetic analysis demonstrates that the pseudocapacitive charge storage allows the amorphous FVO cathode delivering the excellent high specific capacity.
Combined in Silico and in Vitro Approaches To Uncover the Oxidation and Schiff Base Reaction of Baicalein as an Inhibitor of Amyloid Protein Aggregation
Authors: Brás Natércia F. , Ashirbaev Salavat S. , Zipse Hendrik
Published: January 2022

The oxidized form of baicalein (BA) leads to covalent binding with human amyloid proteins. Such adducts hamper the aggregation and deposition of fibrils. A novel reaction of BA with pentylamine (PA) as a model for the lysine side chain is described. This is the first study addressing the atomistic details of a Schiff base reaction with the trihydroxylated moiety of BA. Nuclear magnetic resonance and mass spectrometry approaches clearly indicate the formation of dehydrobaicalein in solution as well as its condensation with PA under aerobic conditions, yielding regioselectively C6‐substituted products. The combined results suggest initial ion pair formation between BA and PA, followed by a redox chain reaction: the initiation by oxygen/air; an o‐quinone‐based chain involving oxidation and reduction steps; and extra off‐chain formation of a doubly oxidized product. These mechanistic details support the anti‐amyloid activity of BA and endorse its trihydroxyphenyl moiety as a pharmacophore for drug‐design studies.
Tunable induced circular dichroism in gels
Authors: Xue Yu , Fehn Natalie , Brandt Viktoria Katharina , Stasi Michele , Boekhoven Job , Heiz Ueli , Kartouzian Aras
Published: January 2022

The ICD phenomenon has drawn a lot of attention in recent years in applicable fields such as chiral sensing and chiroptical devices. In this work, we first gaze at the issues of thin spin‐coated films not being able to deliver consistent ICD signals. A hypothesis of the underlying problem is proposed through a brief elucidation of the spin‐coating process. To confirm and eliminate the uncontrollable dynamic factors with spin coating, we then dedicate our efforts to develop a new gel system based on chiral L‐/D‐N′,N′‐Dibenzoyl‐cystine. Achiral dye molecules are intercalated in a DBC gel through a “one‐step” preparation procedure. Compared to the former spin‐coating system, significantly improved reproducibility of the new gel system is demonstrated. Besides, the ICD signals can be customized in a broad spectral range (wavelength tunability) by substituting dye molecules. Finally, we discuss the potential applications of this interesting system.
A comparison of long‐term clinical outcomes between percutaneous coronary intervention (PCI) and medical therapy in patients with chronic total occlusion in noninfarct‐related artery after PCI of acute myocardial infarction
Authors: Qin Qing , Chen Lu , Ge Lei , Qian Juying , Ma Jianying , Ge Junbo
Published: January 2022

Background

Chronic total occlusion (CTO) in a noninfarct‐related artery (IRA) is one of the risk factors for mortality after acute myocardial infarction (AMI). However, there are limited data comparing the long‐term outcomes of patients undergoing percutaneous coronary intervention (PCI) with patients having medical therapy (MT) in CTO lesion after AMI PCI.

Methods

We retrospectively enrolled 330 patients (successful CTO PCI in 166 patients, failed CTO PCI in 32 patients, MT in 132 patients) with non‐IRA CTO from a total of 4372 patients who underwent PCI after AMI in our center. Propensity score matching (PSM) was used to adjust for baseline differences.

Results

The primary analysis is based on the intention‐to‐treat population. During a median follow‐up period of 946 days, patients in the PCI group (n = 198) had significantly higher cardiac death‐free survival (96.6% vs. 82.8%, p = .004) compared with patients in MT group (n = 132). However, no significant difference in the occurrence of cardiac death was observed after PSM. The analysis based on the per‐protocol population demonstrated significantly higher cardiac death‐free survival in the successful CTO PCI group (n = 166) compared with the occluded CTO group (n = 164) both before and after PSM. In subgroup analysis, successful CTO PCI was associated with less cardiac death in patients over 65 years old, with LVEF < 50%, left anterior descending (LAD) IRA, and non‐LAD CTO lesion compared with occluded CTO group.

Conclusions

Patients undergoing successful revascularization of non‐IRA CTO after AMI might have a better long‐term prognosis. Moreover, patients with LVEF < 50% may benefit from successful non‐IRA CTO PCI after AMI.
Evaluation of the Pharmacokinetics of Felcisetrag (TAK‐954), a 5‐HT4 Receptor Agonist, in the Presence and Absence of Itraconazole, a Potent CYP3A4 Inhibitor
Authors: Chen Chunlin , Zhang Liming , Almansa Cristina , Rosario Maria , Cwik Michael , Balani Suresh K. , Lock Ruth
Published: January 2022

The 5‐hydroxytryptamine type‐4 receptor agonist felcisetrag (TAK‐954) is being investigated for improving gastrointestinal motility in postoperative gastrointestinal dysfunction. Polypharmacy often occurs in this setting, and as in vitro data indicate, felcisetrag is primarily metabolized by cytochrome P450 (CYP) 3A4, its CYP3A4‐mediated drug‐drug interaction potential requires consideration. This phase 1, fixed‐sequence, open‐label, crossover trial (ClinicalTrials.gov identifier NCT03173170) investigated the effect of itraconazole, a potent CYP3A4 inhibitor, on felcisetrag pharmacokinetics in healthy adults. Over 2 study periods (period 1, 6 days; period 2, 9 days), participants received a single felcisetrag 0.2‐mg intravenous dose (day 1, period 1; and day 4, period 2), and once‐daily oral itraconazole 200‐mg doses (days 1‐8, period 2). For felcisetrag alone, felcisetrag total systemic exposure was lower than with itraconazole coadministration. The geometric mean ratio for area under the plasma concentration–time curve from time 0 to infinity of felcisetrag plus itraconazole: felcisetrag alone was 1.49 (90% confidence interval, 1.39‐1.60). Peak exposure was similar between regimens (geometric mean ratio, 1.06; 90% confidence interval, 0.96‐1.18), and both treatments were well tolerated. These data suggest limited CYP3A4‐mediated drug‐drug interaction inhibition for felcisetrag.
High‐speed parallel reconfigurable Fp multipliers for elliptic curve cryptography applications
Authors: Javeed Khalid , Saeed Kamran , Gregg David
Published: January 2022

Elliptic curve cryptography (ECC) protocols due to higher security strength per bit have been widely accepted and deployed. Finite field multiplication is the most computational intensive operation in data security protocols developed using ECC. This paper presents two high‐speed parallel re‐configurable finite field multipliers: PIMD‐2 and PIMD‐3 over prime field (Fp) for ECC applications. The proposed designs are based on the new novel optimized interleaved multiplication algorithms. This work first identifies room of parallelism by investigating independent operations in the standard interleaved multiplication method and subsequently proposes high‐speed hardware architectures that allow the parallel execution of these operations. Due to the introduced modifications, the critical path delays and clock cycle consumption in the PIMD‐2 and PIMD‐3 designs are reduced simultaneously. The proposed Fp multipliers are synthesized using Xilinx ISE Design Suite and implemented on Virtex‐5 and Virtex‐6 field programmable gate array (FPGA) platforms for common ECC key sizes 160–521 bits. The implementation results reveal that the proposed designs are highly efficient, provided up to 3× improvement in latency with lower area‐delay product and higher throughput per FPGA slice as compared to the state‐of‐the‐art.
Improved loop stability approach in fully differential operational transconductance amplifier with common‐mode feedback circuit
Authors: Koozehkanani Reza Daie , Makouei Somaye , Toofan Siroos
Published: January 2022

This paper proposes a new approach to improve loop stability in a typical common‐mode feedback (CMFB) circuit of a differential operational transconductance amplifier (OTA). In this paper, a differential difference amplifier (DDA) with a current mirror load is employed as a CMFB circuit. The new approach is based on using two series diode‐connected transistors operating in subthreshold region in parallel with current mirror load. The proposed approach provides a reliable good function with no reduction in the OTA performance and dynamic operation of CMFB loop. The proposed scheme attains necessary high gain and large bandwidth with required phase margin for CMFB circuit. The proposed CMFB circuit is employed in a typical OTA structure. The post‐layout simulation results in TSMC 130‐nm CMOS technology show that the proposed approach leads to a better phase margin of 80°, a high unity gain bandwidth of 800 MHz, and a loop gain of 27 dB for the CMFB circuit.
Spatial adaptivity in SOLEDGE3X‐HDG for edge plasma simulations in versatile magnetic and reactor geometries
Authors: Piraccini G. , Schwander F. , Serre E. , Giorgiani G. , Scotto D'Abusco M.
Published: January 2022

With the ultimate goal to predict plasmas heat and particle fluxes in ITER operation, more efforts are required to deal with realistic magnetic configurations and tokamak geometries. In an attempt to achieve this goal, we propose an adaptive mesh refinement method added to a fluid solver based on a high‐order hybrid discontinuous Galerkin (HDG) method. Based on unstructured meshes, this magnetic equilibrium free numerical scheme has shown promising and encouraging features to solve 2D/3D transport reduced Braginski fluid equations. To improve its numerical efficiency, a mesh refinement based on h‐adpativity is investigated. We describe here an adaptive refinement strategy on a reduced edge particle transport model based on electron density and parallel momentum. This strategy is illustrated in realistic tokamak wall geometry. Computations performed show potential gains in the required number of degrees of freedom against benchmark computations with uniform meshes, along with the potential to give an automated, goal‐oriented, mesh generation technique for edge transport simulations in 2D.
A resource allocation and scheduling model for hierarchical distributed services in cloud environment using game theory
Authors: Al‐Iessa Suha Mubdir , Sheibani Reza , Veisi Gelareh
Published: January 2022

In this paper, a game theoretic‐based method has been proposed to solve the problem of allocating computing resources in a hierarchical cloud structure. The proposed method has two phases: “topology construction” and “game‐theoretic‐based resource allocation.” In the first phase, a hierarchical structure will be established to determine a reliable communication infrastructure between cloud computing resources. In the second phase, a game theoretic model is used to allocate cloud resources and schedule executing of tasks in the constructed hierarchical structure of cloud. In the proposed method, end user's tasks are collected through leaf resources in hierarchical tree structure. Then each computing resource will consider managing collected tasks using a game‐based model. The efficiency of the proposed method is evaluated in a simulated environment and the results are compared with some of the best previous studies. The results show that our proposed method reduces energy consumption and computational cost. Also, using the proposed game‐theoretic method, more computational tasks can be processed using cloud resources, so this method can be used more efficiently for real‐world scenarios.
Earth’s oldest tsunami deposit? Early Archaean high‐energy sediments in the ca 3.48 Ga Dresser Formation (Pilbara, Western Australia)
Authors: Runge Eric A. , Duda Jan‐Peter , Van Kranendonk Martin J. , Reitner Joachim
Published: January 2022

Dynamic sedimentary processes are a key parameter for establishing the habitability of planetary surface environments on Earth and beyond and thus critical for reconstructing the early evolution of life on our planet. This paper presents a sedimentary section from the ca 3.48 Ga Dresser Formation (Pilbara Craton, Western Australia) that contains high‐energy reworked sediments, possibly representing the oldest reported tsunami deposit on Earth to date. Field and petrographic evidence (e.g. up to 20 cm large imbricated clasts, hummocky bedding, Bouma‐type graded sequences) indicate that the high‐energy deposit represents a bi‐directional succession of two debrite–turbidite couplets. This succession can best be explained by deposition related to passage and rebound of tsunami waves. Sedimentary processes were possibly influenced by highly dense silica‐rich seawater. The tsunami was probably triggered by local fault‐induced seismic activity since the Dresser Formation was deposited in a volcanic caldera basin that experienced syndepositional extensional growth faulting. However, alternative triggers (meteorite impact, volcanic eruption) or a combination thereof cannot be excluded. The results of this work indicate a subaquatic habitat that was subject to tsunami‐induced high‐energy disturbance. Potentially, this was a common situation on the early Archaean Earth, which experienced frequent impacts of extraterrestrial bodies. This study thus adds to the scarce record of early Archaean high‐energy deposits and stresses the relevance of high‐energy depositional events for the early evolution of life on Earth.
SARS‐CoV‐2 induced post‐translational protein modifications: A trigger for developing autoimmune diabetes?
Authors: Catriona Chaplin , Paolo Pozzilli
Published: January 2022

Emerging evidence indicates a bi‐directional relationship between SARS‐CoV‐2 and diabetes. The possibility exists that SARS‐CoV‐2 could induce diabetes, but it is not yet clear whether this might be a fulminant‐type diabetes, autoimmune diabetes, or a new‐onset transient hyperglycaemia. This viewpoint discusses mechanisms by which SARS‐CoV‐2 might trigger type 1 diabetes mellitus (T1DM). Specifically, we looked at the role of post‐translational protein modifications (PTMs) and the generation of neoepitopes as a potential mechanism in the induction of islet autoimmunity, and the pathways via which coronavirus infections might exacerbate the formation of PTMs and, in so doing, provoke the onset of T1DM.
Ecological impacts of shortening fire return intervals on boreal peatlands and transition zones using integrated in situ field sampling and lidar approaches
Authors: Jones Emily , Chasmer Laura , Devito Kevin , Rood Stewart , Hopkinson Christopher
Published: January 2022

Aridity associated with rising air temperatures in northern latitudes is expected to contribute to increased frequency of wildland fires. Here, we examined regenerating vegetation following short return interval (SRI) fire (56 years post‐fire) compared to long return interval (LRI) fire (>80 years post‐fire) in boreal peatlands and their adjacent transitional areas. The objectives of this study were to quantify if differences exist between (1) peatland and transitional soil characteristics in LRI versus SRI areas and (2) regenerating vegetation species, structural characteristics and diversity. We also determined if patterns of vegetation structural characteristics observed using field data also occur across the broader landscape using airborne lidar data. The Utikuma Region Study Area (URSA) is located in central Alberta, Canada. Here, 19 peatlands were sampled, coincident with an airborne lidar survey of the broader region, where 120 peatlands in short and long fire return intervals were identified. We found that SRI transitional areas had significantly deeper organic soil deposits than those found in LRI (p < 0.0001). Proportions of regenerating species differed significantly between peatlands and transitional areas in SRI versus LRI, where greater proportion of coniferous species were observed in LRI. Deciduous transitional–upland species and taller post‐fire vegetation heights were more commonly found SRI peatlands compared with LRI. This suggest that fires with SRIs in this region may result in enhanced deciduous succession, which may transition boreal peatlands into ecosystems that have some characteristics of transitional and upland forests.