bluuebunny/crossref_metadata_2025 huggingface dataset:
Tuning Magnetic Order in CrI3 Bilayers via Moiré Patterns
Authors: León Andrea M. , Velásquez Éver A. , Caro‐Lopera Francisco , Mejía‐López José
Published: January 2022

Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for tuning magnetic states through layer rotations. Here, a mathematical approach to obtain moiré patterns in twisted hexagonal bilayers by performing a certain commensurable rotation θ over one layer is presented. To test the approach, moiré structures with and 32.20° in the phases R and C2/m of CrI3 are obtained via the related methodology. For comparison purposes, a non‐shifted CrI3 structure is also considered. Electronic and magnetic properties of the so‐obtained systems are computed by ab initio methodologies. Results show the presence of rotation‐angle‐dependent magnetic configurations and steep modifications of the dispersion bands due to variations in the nearest and next nearest distances among layers of Cr atoms. Modifications obtained from these commensurable rotations are discussed on the basis of competition among different energy contributions due to changes in the atomic neighborhood.
Adaptive Backstepping Sliding Mode Tracking Control For Autonomous Underwater Vehicles With Input Quantization
Authors: An Shun , Wang Longjin , He Yan , Yuan Jianping
Published: January 2022

This paper proposes an adaptive backstepping sliding mode control (ABSMC) scheme for autonomous underwater vehicles (AUVs) subject to the dynamic uncertainty, external disturbance and quantization error. The control input signals including control forces and moment are quantized by a hybrid quantizer which is the combinination of a logarithmic quantizer and a uniform quantizer. The kinematic controller is designed by the backstepping control technique and the dynamic controller is developed using the sliding mode control method. In order to further improve the robustness of the closed‐loop system, an adaptive law is employed to estimate the upper bound of the total uncertainties in real time. The stability of the closed‐loop system is proved based on the Lyapunov theory and indicates that the proposed control method can force the AUV to track the desired trajectory. Simulation results demonstrate the effectiveness of the proposed control strategy.
Localized Modes in Nonlinear Fractional Systems with Deep Lattices
Authors: Liu Xiuye , Malomed Boris A. , Zeng Jianhua
Published: January 2022

Solitons in the fractional space, supported by lattice potentials, have recently attracted much interest. The limit of deep 1D and 2D lattices in this system is considered, featuring finite bandgaps separated by nearly flat Bloch bands. Such spectra are also a subject of great interest in current studies. The existence, shapes, and stability of various localized modes, including fundamental gap and vortex solitons, are investigated by means of numerical methods; some results are also obtained with the help of analytical approximations. In particular, the 1D and 2D gap solitons, belonging to the first and second finite bandgaps, are tightly confined around a single cell of the deep lattice. Vortex gap solitons are constructed as four‐peak “squares” and “rhombuses” with imprinted winding number . Stability of the solitons is explored by means of the linearization and verified by direct simulations.
Strategic Design for Sumanene‐Derived Organic Cathodes with Tailored Redox Activity
Authors: Jung Ku Hyun , Kim Ki Chul
Published: January 2022

Despite the use of organic macromolecules in durable, high‐performance lithium‐ion battery cathodes, relevant studies are still lacking. Herein, sumanene, a representative macromolecule, and its derivatives are introduced through either individual or combined incorporation of two distinct functional groups, namely carbonyls and cyanides, to understand the effects of the functionalization strategy on their electrochemical redox properties. This computational investigation reveals that the combined incorporation of the two distinct redox‐active sites would synergistically improve the open‐circuit redox potential, ultimately leading to an exceptionally high theoretical performance of a sumanene‐derivative fully functionalized with carbonyl and cyanide. Furthermore, this study enables to draw meaningful conclusions on the three discharging stages, namely the fully charged, ongoing, and fully discharged stages. Clearly, the open‐circuit redox potential of a compound corresponding to the fully charged stage depends on its electron affinity that is dominantly contributed by the charging energy. During the discharging process, the redox potentials of the compounds gradually decrease with the increase in the number of bound Li atoms because of the Li‐induced weakening of its reductive ability owing to the continuous increase in its charging energy, leading to the cooperative contribution of charging and reorganization energies to the redox potential. At the end of the discharging process, the compound loses the cathodic activity with a negative redox potential, primarily owing to a sudden increase in solvation energy.
Protein Nanoparticles: Uniting the Power of Proteins with Engineering Design Approaches
Authors: Habibi Nahal , Mauser Ava , Ko Yeongun , Lahann Joerg
Published: January 2022

Protein nanoparticles, PNPs, have played a long‐standing role in food and industrial applications. More recently, their potential in nanomedicine has been more widely pursued. This review summarizes recent trends related to the preparation, application, and chemical construction of nanoparticles that use proteins as major building blocks. A particular focus has been given to emerging trends related to applications in nanomedicine, an area of research where PNPs are poised for major breakthroughs as drug delivery carriers, particle‐based therapeutics or for non‐viral gene therapy.
Stable Cu Catalysts Supported by Two‐dimensional SiO2 with Strong Metal–Support Interaction
Authors: Wang Shenghua , Feng Kai , Zhang Dake , Yang Deren , Xiao Mengqi , Zhang Chengcheng , He Le , Yan Binhang , Ozin Geoffrey A. , Sun Wei
Published: January 2022

Cu‐based catalysts exhibit excellent performance in hydrogenation reactions. However, the poor stability of Cu catalysts under high temperatures has restricted their practical applications. The preparation of stable Cu catalysts supported by SiO2 with strong metal–support interaction (SMSI) has thus aroused great interest due to the high abundance, low toxicity, feasible processability, and low cost of SiO2. The challenge in the construction of such SMSI remains to be the inertness of SiO2. Herein, a simple and scalable method is developed to prepare 2D silica (2DSiO2) supported Cu catalysts with SMSI by carefully manipulating the topological exfoliation of CaSi2 with CuCl2 and thereafter calcination. The prepared Cu‐2DSiO2 catalysts with the unique encapsulated Cu nanoparticles exhibit excellent activity and long‐term stability in high‐temperature CO2 hydrogenation reactions. This feasible and low‐cost solution for stabilizing Cu catalysts might shed light on their realistic applications.
Distinctive Deep‐Level Defects in Non‐Stoichiometric Sb2Se3 Photovoltaic Materials
Authors: Lian Weitao , Cao Rui , Li Gang , Cai Huiling , Cai Zhiyuan , Tang Rongfeng , Zhu Changfei , Yang Shangfeng , Chen Tao
Published: January 2022

Characterizing defect levels and identifying the compositional elements in semiconducting materials are important research subject for understanding the mechanism of photogenerated carrier recombination and reducing energy loss during solar energy conversion. Here it shows that deep‐level defect in antimony triselenide (Sb2Se3) is sensitively dependent on the stoichiometry. For the first time it experimentally observes the formation of amphoteric SbSe defect in Sb‐rich Sb2Se3. This amphoteric defect possesses equivalent capability of trapping electron and hole, which plays critical role in charge recombination and device performance. In comparative investigation, it also uncovers the reason why Se‐rich Sb2Se3 is able to deliver high device performance from the defect formation perspective. This study demonstrates the crucial defect types in Sb2Se3 and provides a guidance toward the fabrication of efficient Sb2Se3 photovoltaic device and relevant optoelectronic devices.
Detection of secondary upper gastrointestinal tract cancer during follow‐up esophagogastroduodenoscopy after gastrectomy for gastric cancer
Authors: Nakane Kosuke , Fujiya Keiichi , Terashima Masanori , Kawabata Takanori , Matsumoto Yosuke , Kamiya Satoshi , Hikage Makoto , Tanizawa Yutaka , Ono Hiroyuki , Bando Etsuro
Published: January 2022

Aim

Esophagogastroduodenoscopy (EGD) may contribute to early detection of secondary cancer in the upper gastrointestinal tract although the clinical relevance of follow‐up after gastrectomy remains unclear. This study aimed to elucidate the effectiveness of follow‐up EGD by investigating the incidence of secondary cancer in any part of the upper gastrointestinal tract.

Methods

Data from 1438 patients who underwent curative partial gastrectomy for primary gastric cancer between 2008 and 2014 and follow‐up EGD at least once during a 5‐year follow‐up period were retrospectively reviewed. Incidence rates of remnant gastric cancer, laryngeal cancer, and esophageal cancer detected after follow‐up EGD were determined, and risk factors for secondary cancers were examined. The characteristics of clinicopathological diagnoses of secondary cancers were reviewed and compared according to the frequency of follow‐up EGD.

Results

The average annual frequency of EGD was 0.7, while the 5‐year cumulative incidence rates of remnant gastric cancer and secondary laryngeal and esophageal cancers were 2.9% and 1.3%, respectively. Risk factors for remnant gastric cancer included heavy smoking, proximal gastrectomy, and tumor size ≥ 30 mm. All secondary cancers were resectable upon diagnosis, with endoscopically resectable cancer accounting for 81.0% of cases. Our results found a significantly higher proportion of endoscopically resectable cancers during regular follow‐up than during infrequent follow‐up.

Conclusions

Follow‐up EGD can be a useful modality for detecting secondary upper gastrointestinal tract cancer, likely leading to curative treatment for secondary cancer. Focusing on patients presenting with risk factors may increase the value of follow‐up EGD after gastrectomy.
Efficient surrogates construction of chemical processes: Case studies on pressure swing adsorption and gas‐to‐liquids
Authors: Hao Zhimian , Zhang Chonghuan , Lapkin Alexei A.
Published: January 2022

We propose a sequential sampling approach to training statistical digital twins. This approach is relevant for real‐world engineering problems with expensive data generation. Prerequisite for building surrogates is sufficient data; however, oversampling does not improve regression accuracy. The time for data generation may be reduced by: (a) applying a classifier to improve data quality and avoid evaluation of infeasible inputs, and (b) employing dynamic sampling linked to regression quality. In dynamic sampling, the initial sampling rate is large to generate enough data for surrogate regression in a few iterations; the sampling rate gradually slows down with the improvement of the iteratively refined surrogate. A dynamic process and a steady‐state process from the field of carbon capture and utilization are used as case studies: pressure swing adsorption (PSA) and gas‐to‐liquids (GTL). The computational costs for surrogates generation are reduced by 86% for PSA and 51% for GTL, compared with employing a static sampling rate.
Robust graphene/poly(vinyl alcohol) aerogel for high‐flux and high‐purity separation of water‐in‐oil emulsion and its computational fluid dynamic simulation
Authors: Yang Yu , Ren Zhiying , Lin Youxi , Li Linlin , Pan Ling , Qin Hongling , Hou Linxi
Published: January 2022

Due to the trade‐off between purity and flux, the development of high‐purity, high‐flux oil–water separation materials is still an arduous challenge. Herein, to achieve emulsion separation with high purity and high permeability, fluorinated graphene/poly(vinyl alcohol) aerogel (FGPA) with strong honeycomb was obtained via a facile freeze‐drying method, and the separation mechanism was investigated via computational fluid dynamics (CFDs) simulation. The as‐prepared FGPA exhibited superhydrophobicity‐superoleophobicity and cyclic compression stability. Under the complex pore and superhydrophobicity, FGPA could separate water‐in‐oil emulsions with droplet sizes several times smaller than their own aperture only under gravity with ultrahigh flux (3255 L m−2 h−1) and ultrahigh purity (99.9%). Also, the separation process as visualized using simulations revealed that the vortex accelerates the demulsification behavior and promotes the gathering of water droplets rebounding on the superhydrophobic surface, so that the water droplets are intercepted. Therefore, FGPA has broad practical application potential in high‐flux and high‐purity oil–water emulsion separation.
Exacerbation of mild lung disorders to lethal pulmonary hypoplasia by a noncoding hypomorphic SNV in a lung‐specific enhancer in trans to the frameshifting TBX4 variant
Authors: Yıldız Bölükbaşı Esra , Karolak Justyna A. , Szafranski Przemyslaw , Gambin Tomasz , Murik Omer , Zeevi David A. , Altarescu Gheona , Stankiewicz Paweł
Published: January 2022

Variants involving TBX4 are associated with a wide variety of disorders, including pulmonary arterial hypertension, ischiocoxopodopatellar syndrome (ICPPS)/small patella syndrome (SPS), lethal lung developmental disorders (LLDDs) in neonates, heart defects, and prenatally lethal posterior amelia with pelvic and pulmonary hypoplasia syndrome. The objective of our study was to elucidate the wide variable phenotypic expressivity and incomplete penetrance in a three‐generation family with a truncating variant in TBX4. In addition to exome and genome sequencing analyses, a candidate noncoding regulatory single nucleotide variant (SNV) within the lung‐specific TBX4 enhancer was functionally tested using an in vitro luciferase reporter assay. A heterozygous frameshift variant c.1112dup (p.Pro372Serfs*14) in TBX4 was identified in patients with mild interstitial lung disease (1), bronchiolitis obliterans (1), recurrent pneumothorax (1), ICPPS/SPS (1), LLDD (2), and in unaffected individuals (4). In two deceased neonates with LLDD, we identified a noncoding SNV rs62069651‐C located in trans to the mutated TBX4 allele that reduced the TBX4 promoter activity by 63% in the reporter assay. Our findings provide a functional evidence for the recently reported model of complex compound inheritance in which both TBX4 coding and in trans noncoding hypomorphic variants in the lung‐specific enhancer of TBX4 contribute to LLDD.
Exploring sexual dimorphism of human occipital and temporal bones through geometric morphometrics in an identified Western‐European sample
Authors: Boucherie Alexandra , Chapman Tara , García‐Martínez Daniel , Polet Caroline , Vercauteren Martine
Published: January 2022

Sex estimation is a paramount step of bioprofiling in both forensic anthropology and osteoarchaeology. When the pelvis is not optimally preserved, anthropologists commonly rely on the cranium to accurately estimate sex. Over the last decades, the geometric morphometric (GM) approach has been used to determine sexual dimorphism of the crania, in size and shape, overcoming some difficulties of traditional visual and metric methods. This article aims to investigate sexual dimorphism of the occipital and temporal region through GM analysis in a metapopulation of 50 Western‐European identified individuals. Statistical analyses were performed to compare centroid size and shape data between sexes through the examination of distinct functional modules. Regression and Procrustes ANOVA were used to examine allometric and asymmetrical implications. Discriminant functions, combining size and shape data, were established. Significant dimorphism in size was found, with males having larger crania, confirming the major influence size has on cranial morphology. Allometric relationships were found to be statistically significant in both right and left temporal bones while shape differences between sexes were only significant on the right temporal bone. The visualization of the mean consensus demonstrated that males displayed a larger mastoid process associated with a reduced mastoid triangle and less projected occipital condyles. This exploratory study confirms that GM analysis represents an effective way to quantitatively capture shape of dimorphic structures, even on complex rounded ones such as the mastoid region. Further examination in a larger sample would be valuable to design objective visualization tools that can improve morphoscopic sex estimation methods.
APP accumulates with presynaptic proteins around amyloid plaques: A role for presynaptic mechanisms in Alzheimer's disease?
Authors: Jordà‐Siquier Tomàs , Petrel Melina , Kouskoff Vladimir , Smailovic Una , Cordelières Fabrice , Frykman Susanne , Müller Ulrike , Mulle Christophe , Barthet Gaël
Published: January 2022

In Alzheimer's disease (AD), the distribution of the amyloid precursor protein (APP) and its fragments other than amyloid beta, has not been fully characterized. Here, we investigate the distribution of APP and its fragments in human AD brain samples and in mouse models of AD in reference to its proteases, synaptic proteins, and histopathological features characteristic of the AD brain, by combining an extensive set of histological and analytical tools. We report that the prominent somatic distribution of APP observed in control patients remarkably vanishes in human AD patients to the benefit of dense accumulations of extra‐somatic APP, which surround dense‐core amyloid plaques enriched in APP‐Nter. These features are accentuated in patients with familial forms of the disease. Importantly, APP accumulations are enriched in phosphorylated tau and presynaptic proteins whereas they are depleted of post‐synaptic proteins suggesting that the extra‐somatic accumulations of APP are of presynaptic origin. Ultrastructural analyses unveil that APP concentrates in autophagosomes and in multivesicular bodies together with presynaptic vesicle proteins. Altogether, alteration of APP distribution and its accumulation together with presynaptic proteins around dense‐core amyloid plaques is a key histopathological feature in AD, lending support to the notion that presynaptic failure is a strong physiopathological component of AD.
Preliminary study on the safety and efficacy of a new polymyxin B‐immoblized resin column in treatment of LPS‐induced sepsis beagles
Authors: Li Yonggui , Yang Zhenggen , Hu Jialiang , Lin Zhennan
Published: January 2022

Background

This study aims to assess the safety and efficacy of direct hemoperfusion using a new polymyxin B‐immobilized resin column (disposable endotoxin adsorber, KCEA) in an endotoxin/ lipopolysaccharide (LPS)‐induced sepsis model.

Methods

Eighteen beagles were randomized into 1 intervention group (KCEA group, n = 6) and 2 control groups (sham group and model group, n = 6 each). Sepsis was induced by continuous intravenous application of 0.5 mg/kg body weight of endotoxin for 60 min. An extracorporeal hemoperfusion device made with KCEA for endotoxin adsorption was used. Model group beagles received standard treatment with fluids and vasoactive drugs, KCEA group beagles received standard treatment and direct hemoperfusion of KCEA for 2 h, and sham group beagles were treated with standard treatment and direct hemoperfusion of a sham column for 2 h.

Results

Good blood compatibility of KCEA was confirmed by assessing clinical parameters. Blood endotoxin peak levels in the KCEA group were significantly lower, resulting in a significant suppression of IL‐6, TNF‐α and procalcitonin, which improved mean arterial pressure and significantly lowered vasopressor demand, thereby protecting organ function and improving survival time and rate. In the KCEA group, MAP was significantly higher over 6 h than those recorded both in the sham group and model group. The 7‐day survival rates of the KCEA, sham and model groups were 50%, 0% and 0%, respectively.

Conclusion

KCEA hemoadsorption was effective at detoxifying circulatory endotoxin and inflammatory mediators and contributed to the decreased mortality rate in the sepsis beagles.
Accelerated Mechanochemistry in Helical Polymers
Authors: Zhang Hang , Diesendruck Charles E.
Published: January 2022

Polymer chains, if long enough, are known to undergo bond scission when mechanically stressed. While the mechanochemical response of random coils is well understood, biopolymers and some key synthetic chains adopt well‐defined secondary structures such as helices. To understand covalent mechanochemistry in such structures, poly(γ‐benzyl glutamates) are prepared while regulating the feed‐monomer chirality, producing chains with similar molecular weights and backbone chemistry but different helicities. Such chains are stressed in solution and their mechanochemistry rates compared by following molecular weight change and using a rhodamine mechanochromophore. Results reveal that while helicity itself is not affected by the covalent bond scissions, chains with higher helicity undergo faster mechanochemistry. Considering that the polymers tested differ only in conformation, these results indicate that helix‐induced chain rigidity improves the efficiency of mechanical energy transduction.
Rationales Design von Phe‐BODIPY‐Aminosäuren als fluorogene Bausteine für den peptidbasierten Nachweis von Candida‐Infektionen im Harntrakt
Authors: Mendive‐Tapia Lorena , Mendive‐Tapia David , Zhao Can , Gordon Doireann , Benson Sam , Bromley Michael J. , Wang Wei , Wu Jun , Kopp Adelina , Ackermann Lutz , Vendrell Marc
Published: January 2022

Pilzinfektionen, die durch Candida‐Arten verursacht werden, gehören zu den häufigsten Infektionen bei Krankenhauspatienten. Die derzeitigen Methoden zum Nachweis von Candida‐Pilzzellen in klinischen Proben beruhen jedoch auf zeitaufwändigen Analysen, die eine schnelle und zuverlässige Diagnose erschweren. In diesem Beitrag beschreiben wir die rationale Entwicklung neuer Phe‐BODIPY‐Aminosäuren als kleine fluorogene Bausteine und ihre Anwendung zur Erzeugung fluoreszierender antimikrobieller Peptide für die schnelle Markierung von Candida‐Zellen im Urin. Mit Hilfe von computergestützten Berechnungen haben wir das fluorogene Verhalten von BODIPY‐substituierten aromatischen Aminosäuren analysiert und Bioaktivitäts‐ und konfokale Mikroskopieexperimente bei verschiedenen Stämmen durchgeführt, um den Nutzen und die Vielseitigkeit von Peptiden mit Phe‐BODIPYs zu bestätigen. Schließlich haben wir einen einfachen und sensitiven fluoreszensbasierten Test zum Nachweis von Candida albicans in menschlichen Urinproben entwickelt.
Anchoring Ionic Liquid in Copper Electrocatalyst for Improving CO2 Conversion to Ethylene
Authors: Sha Yufei , Zhang Jianling , Cheng Xiuyan , Xu Mingzhao , Su Zhuizhui , Wang Yanyue , Hu Jingyang , Han Buxing , Zheng Lirong
Published: January 2022

Electrochemical conversion of CO2 to valuable fuels is appealing for CO2 fixation and energy storage. The Cu‐based catalysts feature unique superiorities, but achieving high ethylene selectivity is still restricted. In this study, we propose the anchoring of an ionic liquid (IL) on a Cu electrocatalyst for improving the electrochemical CO2 reduction to ethylene. In a water‐based electrolyte and a commonly used H‐type cell, a high ethylene Faradaic efficiency of 77.3 % was achieved at −1.49 V (vs. RHE). Experimental and theoretical studies reveal that an IL can modify the electronic structure of a Cu catalyst through its interaction with Cu, making it more conducive to *CO dimerization for ethylene formation.
Construction of an Autocatalytic Hybridization Assembly Circuit for Amplified In Vivo MicroRNA Imaging
Authors: Wang Huimin , He Yuqiu , Wei Jie , Wang Hong , Ma Kang , Zhou Yangjie , Liu Xiaoqing , Zhou Xiang , Wang Fuan
Published: January 2022

Lowly expressed analyte in complex cytoplasmic milieu necessitates the development of non‐enzymatic autocatalytic DNA circuits with high amplification and anti‐interference performance. Herein, we engineered a versatile and robust stimuli‐responsive autocatalytic hybridization assembly (AHA) circuit for high‐performance in vivo bioanalysis. Under a moderately confined condition, the initiator motivated the autonomous and cooperative cross‐activation of cascade hybridization reaction and catalytic DNA assembly for generating an exponentially amplified readout without the parasite steric hindrance and random diffusion side effects. The AHA circuit was systematically investigated by a series of experimental studies and theoretical simulations. The successively guaranteed target recognition and synergistically accelerated signal‐amplification enabled the sensitive and selective detection of analyte, and realized the robust miRNA imaging in living cells and mice. This autocatalytic DNA circuit could substantially expand the toolbox for accurate diagnosis and programmable therapeutics.
Ammonium nickel‐cobalt phosphate nanoflowers on highly conductive carbon fibers as an electrode material for enhanced electrochemical performance supercapacitors
Authors: Ma Shaoqun , Xiang Dong , Wang Yue , Hao Xiyuan , Li Hongzheng , Liu Zilong , Zhang Tianqi , Yang Jiukai , Zhang Guofeng
Published: January 2022

The nickel cobalt ammonium phosphate (NH4(Ni, Co)PO4)/carbon fibers (CFs) electrode materials were prepared by a hydrothermal method. The nanoflower‐like active materials (NH4(Ni, Co)PO4) have an average particle size of about 500 nm, which are uniformly and tightly dispersed on the surface of CFs. The specific capacitance of the composite electrode NCCF‐3 with a molar ratio of Co and Ni of 1:1 is as high as 811.1 F·g−1 at the current density of 1.25 A·g−1. Meanwhile, the electrochemical performance of NCCF‐3 exhibits a good reversibility and batter stability of 89.1% capacitance retention after 2000 cycles. The maximum energy density of NCCF‐3 is 20.28 Wh·kg−1 at the power density of 189.17 W·kg−1. The electric double‐layer of the high‐conductivity CFs combined with the pseudocapacitance of NH4(Ni, Co)PO4 will help to improve their electrochemical performances. The NCCF‐3 electrode materials, which can effectively improve the capacitance and stability, are a potential composite electrode for the applications of a supercapacitor.
Optical, mechanical, and antimicrobial properties of bio‐based composites of poly(L‐lactic acid) and D‐limonene/β‐cyclodextrin inclusion complex
Authors: Dobrzyńska‐Mizera Monika , Knitter Monika , Szymanowska Daria , Mallardo Salvatore , Santagata Gabriella , Di Lorenzo Maria Laura
Published: January 2022

Composites made of poly(l‐lactic acid) (PLLA) and β‐cyclodextrin/D‐limonene inclusion complex (CD‐Lim) are prepared to develop novel food packaging material with antibacterial properties. The composites are formulated with bio‐based materials that are also biodegradable. The addition of CD‐Lim to PLLA results in enhanced permeability and water uptake. Optical properties of PLLA/CD‐Lim composites also significantly vary compared to plain PLLA, with partial loss of transparency and gloss, but sizably increased barrier to UV light, which imparts protection from oxidation to lipid‐containing food. The mechanical properties of the composite films are also affected by composition. Most notably, PLLA films containing CD‐Lim display significant antibacterial and antifungal properties, proving their potential as active food packaging films.
Ligand effects in rhodium complexes for chemical NADH regeneration
Authors: Fard Pegah Tavakoli , Kim Kayoung , Lee Sohyun , Kim Jinheung
Published: January 2022

Various (pentamethylcyclopentadienyl)‐rhodium(III) complexes comprising aromatic bidentate ligands [(Cp*)Rh(L)Cl]+ (Cp* = pentamethylcyclopentadienyl, L = 2,2′‐bipyridine, 1,10‐phenanthroline, and their derivatives) were prepared to compare their reactivities of chemical cofactor regeneration. When the catalytic NADH regeneration was performed with sodium formate−, the reaction rates were compared with six Rh(III) complexes. The kinetics of the reactions including kinetic isotope effects are also studied in the chemical NADH regeneration. The Rh(III) complexes react with formate efficiently to afford the intermediates [(Cp*)Rh(L)(H)]+ and CO2. The electronic and steric effects of the ligands of the Rh complexes were observed on the reaction rates. The overall reaction rates of the NADH regeneration were also obtained using DCOO− in H2O. Such H/D exchange rates of [(Cp*)Rh(L)(H)]+ and the observation of a deuterium kinetic isotope provide valuable mechanistic insight into the catalytic NADH regeneration.
Sensitivity of time‐resolved diffraction data to changes in internuclear distances and atomic positions
Authors: Jeong Haeyun , Ki Hosung , Kim Jong Goo , Kim Jungmin , Lee Yunbeom , Ihee Hyotcherl
Published: January 2022

Time‐resolved x‐ray liquidography (TRXL) is a powerful technique to study molecular structural dynamics in the solution phase. Typically, a TRXL experiment is conducted during limited beamtime at a beamline of a synchrotron or an x‐ray free‐electron laser, demanding a proper design and careful planning. In this regard, the optimal q range needs to be determined to find the optimal x‐ray energy and sample‐to‐detector distance. For such purpose, here, we present effective ways to quantify the sensitivity of the TRXL data as a function of q to various factors such as the atomic positions, internuclear distances, solvent cage, and bulk solvent. The developed approaches are also applicable to other types of time‐resolved diffraction, such as ultrafast electron diffraction.
Exploring antecedents of innovations for small‐ and medium‐sized enterprises' environmental sustainability: An interpretative framework
Authors: Castellano Rosalia , Punzo Gennaro , Scandurra Giuseppe , Thomas Antonio
Published: January 2022

The need to pursue sustainable development has become a central topic in Western countries due to citizens' greater sensitivity to improving environmental and social conditions. Companies can reach this objective more easily through green innovations, which are now considered a strategic opportunity that simultaneously allows for adherence to sustainable development criteria and the pursuit of competitive advantages. Scholars have identified the determinants that encourage companies to adopt green innovations, but the outcomes of their investigations thus far have often been ambiguous and contradictory. Our paper proposes an interpretative framework for addressing such inconsistencies. Using the partial least squares structural equation modelling (PLS‐SEM) methodology, we validate this framework on a sample of small‐ and medium‐sized enterprises (SMEs) and show that SMEs' choices are influenced by cultural elements and stimulated by the prospect of obtaining economic advantages over competitors. SMEs also pay close attention to stakeholder solicitations, while public administration does not affect their eco‐innovating choices. The results have policy implications for executives and insiders.
The impact of environmental dynamism on low‐carbon practices and digital supply chain networks to enhance sustainable performance: An empirical analysis
Authors: Sharma Manu , Kumar Anil , Luthra Sunil , Joshi Sudhanshu , Upadhyay Arvind
Published: January 2022

Digital supply chains have revolutionised manufacturing firms by helping them address the challenges of a dynamic environment. Firms implement low‐carbon practices to achieve environmental sustainability. This paper explores whether digital supply chain networks can influence the sustainable performance of manufacturing firms and the mediating effect of low‐carbon practices in the contingency factor of environmental dynamism (ED). The relationship is examined in terms of information processing theory and stakeholder theory and from the perspective of a resource‐based view (RBV). The proposed framework is tested using structural equation modelling. The results show that low‐carbon practices have a partial mediation effect on digital supply chains and the sustainable performance of manufacturing firms. Furthermore, ED moderates the relationship of low‐carbon practices and digital supply chain networks. The study can support managers as they design strategies to move towards a low‐carbon economy, enhancing the firm's sustainable performance in accordance with ED. The current study strongly contributes to the literature on business strategy and the environment, as it has both theoretical and practical implications.
Predictors and long‐term outcomes of in‐hospital switching from clopidogrel to ticagrelor among patients with acute coronary syndrome undergoing percutaneous coronary intervention
Authors: Chen Sanbao , Li Jing , Qiu Miaohan , Ma Sicong , Jiang Zaixin , Na Kun , Qi Zizhao , Li Yuzhuo , Li Yi , Han Yaling
Published: January 2022

This study evaluated clinical outcomes of switching from clopidogrel to ticagrelor in patients with acute coronary syndrome (ACS) undergoing percutaneous coronary intervention (PCI). The clinical benefit of in‐hospital switching from clopidogrel to ticagrelor in these patients remains unclear. Among patients with ACS initially receiving clopidogrel, logistic regression was used to identify independent predictors of switching to ticagrelor. Multivariable Cox regression was used to compare efficacy and safety between switching to ticagrelor and continuing clopidogrel. The primary endpoint was net adverse clinical events (NACEs) at 12 months, a composite of major adverse cardiovascular events (MACE) and Bleeding Academic Research Consortium (BARC) type 2/3/5 bleeding. Among 10,519 patients initially receiving clopidogrel, 1405 (13.4%) were switched to ticagrelor at discharge. Stent number, left main artery lesions, diabetes, male sex, age, estimated glomerular filtration rate of <45 ml/min/1.73 m2, and history of PCI or stroke were identified as independent predictors of switching to ticagrelor. The rate of NACE (hazard ratio [HR]: 1.51; 95% confidence interval [CI]: 1.18–1.91) or BARC type 2/3/5 bleeding (HR: 2.01; 95% CI: 1.52–2.66) was significantly higher in patients switching to ticagrelor than in those continuing clopidogrel. The risk of MACE was comparable between both the groups (HR: 0.71; 95% CI: 0.41–1.22). In real‐world practice, in‐hospital switching from clopidogrel to ticagrelor was independently associated with several clinical factors. Patients switching to ticagrelor had a higher rate of NACE or BARC type 2/3/5 bleeding than those continuing clopidogrel, without any reduction in the MACE rate.
Effects of warming on starch structure, rice flour pasting property, and cooked rice texture in a double rice cropping system
Authors: Yang Taotao , Yang Huifang , Zhang Bin , Wu Longmei , Huang Qing , Zou Jixiang , Jiang Yu , Zhang Nan
Published: January 2022

Background and objectives

Climate warming has significant effects on rice quality. However, the effects of warming on starch structure, rice flour pasting properties, and cooked rice texture are unclear in double rice cropping systems. Therefore, a free‐air temperature increase experiment was conducted with two indica rice cultivars. The objectives of this study were to explore the changes in rice flour pasting properties and cooked rice texture under warming conditions and their relationships with starch structures.

Findings

Under warming conditions, rice starch had a lower amylose content (Peak 3) and proportion of long amylopectin branch chains (B3 chains) but a higher proportion of short amylopectin branch chains (A chains and B1 chains), amylopectin branching degree, relative crystallinity, ratio of 1045/1022 cm−1, and swelling power. Compared to the control treatment, warming significantly increased the peak viscosity, breakdown, and pasting temperature but decreased the setback of rice flour. Moreover, the hardness of cooked rice was significantly decreased, while its stickiness was significantly increased under warming conditions.

Conclusions

The changes in starch molecular structures resulted in lower hardness and setback but a higher stickiness, peak viscosity, breakdown, and pasting temperature of cooked rice or rice flour, which means better eating quality and worse cooking quality of double‐cropped indica rice under climate warming conditions.

Significance and novelty

These findings are expected to provide important information for improving rice cooking and eating quality and developing the rice industry under future climate warming conditions.
Unexplained left Mullerian agenesis with agenesis of left kidney: A case report
Authors: Mamah Johnbosco E. , Ofodile Obiamaka O. , Onyebuchi Azubuike K. , Otu Chichetaram R. , Aliyu‐Abubakar Zubaida , Egbuonu Nnaemeka
Published: January 2022

The exact incidence of Mullerian agenesis is unknown because women with this condition might be asymptomatic and diagnosis is mostly incidental. We report an incidental finding of left Mullerian agenesis involving the left fallopian tube, left ovary, and the left kidney following evaluation and treatment for a right tubal ectopic pregnancy.
Fatal outcome following multiple bee stings: A rare case
Authors: Fakhar Mahdi , Zakariaei Zakaria , Sharifpour Ali , Soleymani Mostafa , Zakariaei Ashkan
Published: January 2022

Anaphylactic shock is an unexpected, life‐threatening, and sometimes fatal occurrence that affects patients in 75% of instances without a prior history of allergies. The severity of the reaction can vary among individuals. We report a case who died suddenly after being stung by bees in various parts of his body.
Ni(OH)2/NiSe Nanoparticles Supported on Carbon Microspheres for Long‐Life and High‐Performance Asymmetric Supercapacitors
Authors: Zhang Junye , Guo Hao , Yang Fan , Wang Mingyue , Zhang Tingting , Zhang Hao , Yang Wu
Published: January 2022

The application of Ni‐MOF in supercapacitors has received widespread attention, but its poor conductivity and bad stability hinder its application. Therefore, Ni‐MOF derived CMs@Ni(OH)2/NiSe with a core‐shell structure was designed. Here, carbon microspheres (CMs) were explored as the conductive substrate to enhance the stability and in situ prepared Ni‐MOF was anchored on the surface of CMs. Then, alkali‐treatment and selenylation were carried out on CMs@Ni−MOF to improve stability and conductivity. The obtained core‐shell nanostructure material possesses a high contact area, excellent synergistic effect and can provide more reactive active sites. The prepared CMs@Ni(OH)2/NiSe shows a higher specific capacitance (2106 F g−1) and excellent cycling performance with a capacitance retention of 95 % after 30000 cycles. Furthermore, the assembled CMs@Ni(OH)2/NiSe//AC device delivers a high energy density of 70.84 Wh kg−1 at the power density of 756.8 W kg−1 and maintains 100 % of the initial capacitance after 40000 cycles.
Structure‐Performance Relationship of LaFe1‐xCoxO3Electrocatalysts for Oxygen Evolution, Isopropanol Oxidation, and Glycerol Oxidation
Authors: Brix Ann Cathrin , Dreyer Maik , Koul Adarsh , Krebs Moritz , Rabe Anna , Hagemann Ulrich , Varhade Swapnil , Andronescu Corina , Behrens Malte , Schuhmann Wolfgang , Morales Dulce M.
Published: January 2022

Mitigating high energy costs related to sustainable H2production via water electrolysis is important to make this process commercially viable. Possible approaches are the investigation of low‐cost, highly active oxygen evolution reaction (OER) catalysts and the exploration of alternative anode reactions, such as the electrocatalytic isopropanol oxidation reaction (iPOR) or the glycerol oxidation reaction (GOR), offering the possibility of simultaneously lowering the anodic overpotential and generating value‐added products. A suitable class of catalysts are non‐noble metal‐based perovskites with the general formula ABO3, featuring rare‐earth metal cations at the A‐ and transition metals at the B‐site. We synthesised a series of LaFe1‐xCoxO3materials with x=0–0.70 by automated co‐precipitation at constant pH and subsequent calcination at 800 °C. X‐ray diffraction studies revealed that the phase purity was preserved in samples with x≤0.3. The activity towards the OER, iPOR, and GOR was investigated by rotating disk electrode voltammetry, showing a relation between structure and metal composition with the activity trends observed for the three reactions. Additionally, GOR product analysis via high‐performance liquid chromatography (HPLC) was conducted after 24 and 48 h electrolysis in a circular flow‐through cell setup, pointing out a trade‐off between activity and selectivity.
Transition Metal‐Free Synthesis of meta‐Bromo‐ and meta‐Trifluoromethylanilines from Cyclopentanones by a Cascade Reaction
Authors: Staudt Markus , Cetin Adnan , Bunch Lennart
Published: January 2022

Anilines are key constituents in biologically active compounds and often obtained from transition metal‐catalyzed coupling of an aryl halide with an amine. In this work, we report a transition metal‐free method for the synthesis of meta‐bromo‐ and meta‐trifluoromethylanilines starting from 3‐tribromomethylcyclopentanone or 3‐(2‐bromo‐2‐chloro‐1,1,1‐trifluoroethyl)cyclopentanone, respectively. The scope of the transformation is shown by application of primary, secondary and aromatic amines. The reaction proceeds in acceptable to high yields (20–81 %), and allows for the synthesis of anilines with substitution patterns otherwise difficult to access.
Electrochemical Synthesis of Isoxazolines: Method and Mechanism
Authors: Holman Samuel D. L. , Wills Alfie G. , Fazakerley Neal J. , Poole Darren L. , Coe Diane M. , Berlouis Leonard A. , Reid Marc
Published: January 2022

An electrochemical method for the green and practical synthesis of a broad range of substituted isoxazoline cores is presented. Both aryl and more challenging alkyl aldoximes are converted to the desired isoxazoline in an electrochemically enabled regio‐ and diastereoselective reaction with electron‐deficient alkenes. Additionally, in‐situ reaction monitoring methods compatible with electrochemistry equipment have been developed in order to probe the reaction pathway. Supporting analyses from kinetic (time‐course) modelling and density functional theory support a stepwise, radical‐mediated mechanism, and discounts hypothesised involvement of closed shell [3+2] cycloaddition pathways.
On asymptotic approximation of ratio models for weakly dependent sequences
Authors: Wu Yi , Yu Wei , Yang Wenzhi , Ding Saisai , Wang Xuejun
Published: January 2022

Let {Zn, n≥1} be a sequence of nonnegative, weakly dependent random variables, and , where is an array of nonnegative weights. We show that can be asymptotically approximated by for a class of functions f(·) satisfying some mild conditions. Under some general conditions, we also prove that the expectation approximates to with a certain convergence rate for any a > 0 and , where . The results obtained in the article improve and extend some corresponding ones in the literature. Some numerical simulations and a real data example are also provided to support the theoretical results.
Myocardial viability assessment and utility in contemporary management of ischemic cardiomyopathy
Authors: Katikireddy Chandra K. , Samim Arang
Published: January 2022

Background

In clinical practice, we encounter ischemic cardiomyopathy (ICM) with underlying viable, dysfunctional myocardium on a regular basis. Evidence from the Surgical Treatment for Ischemic Heart failure (STICH) and its Extension Study is supportive of improved outcomes with coronary revascularization, irrespective of myocardial viable status. However, Dobutamine stress echocardiography (DSE) and single‐photon emission computed tomography (SPECT), used in STICH to assess myocardial viability may fail to distinguish hibernating myocardium from scar due to suboptimal image resolution and poor tissue characterization.

Hypothesis

Cardiac magnetic resonance (CMR) and positron emission tomography (PET) can precisely quantify myocardial scar and identify metabolically active, viable myocardium respectively. Unlike DSE and SPECT, CMR and PET allow examining myocardial status as a contiguous spectrum from viable to partially viable myocardium with varying degrees of subendocardial scar and nonviable myocardium with predominantly transmural scar, the therapeutic and prognostic determinants of ICM.

Methods

Under the guidance of CMR and PET imaging, myocardium can be distinguished viable from partially viable with subendocardial scar and predominantly transmural scar. In ICM, optimal medical therapy and coronary revascularization of viable/partially viable myocardium but not transmural scar may improve outcomes in patients with acceptable procedural risk.

Results

Coronary revascularization of partially viable and viable myocardial territory may improve clinical outcomes by preventing future ischemic, infarct events and further worsening of left ventricular remodeling and function.

Conclusions

When deciding if coronary revascularization is appropriate in a patient with ICM, it is essential to take a patient‐tailored, comprehensive approach incorporating myocardial viability, ischemia, and scar data with others such as procedural risk, and patient's comorbidities.
Radiation necrosis in renal cell carcinoma brain metastases treated with checkpoint inhibitors and radiosurgery: An international multicenter study
Authors: Lehrer Eric J. , Gurewitz Jason , Bernstein Kenneth , Patel Dev , Kondziolka Douglas , Niranjan Ajay , Wei Zhishuo , Lunsford L. Dade , Malouff Timothy D. , Ruiz‐Garcia Henry , Patel Samir , Bonney Phillip A. , Hwang Lindsay , Yu Cheng , Zada Gabriel , Mathieu David , Trudel Claire , Prasad Rahul N. , Palmer Joshua D. , Jones Brianna M. , Sharma Sonam , Fakhoury Kareem R. , Rusthoven Chad G. , Deibert Christopher P. , Picozzi Piero , Franzini Andrea , Attuati Luca , Lee Cheng‐Chia , Yang Huai‐Che , Ahluwalia Manmeet S. , Sheehan Jason P. , Trifiletti Daniel M.
Published: January 2022

BACKGROUND

Patients with renal cell carcinoma (RCC) brain metastases are frequently treated with immune checkpoint inhibitors (ICIs) and stereotactic radiosurgery (SRS). However, data reporting on the risk of developing radiation necrosis (RN) are limited.

METHODS

RN rates were compared for concurrent therapy (ICI/SRS administration within 4 weeks of one another) and nonconcurrent therapy with the χ2 test. Univariable logistic regression was used to identify factors associated with developing RN.

RESULTS

Fifty patients (23 concurrent and 27 nonconcurrent) with 395 brain metastases were analyzed. The median follow‐up was 12.1 months; the median age was 65 years. The median margin dose was 20 Gy, and 4% underwent prior whole‐brain radiation therapy (WBRT). The median treated tumor volume was 3.32 cm3 (range, 0.06‐42.38 cm3); the median volume of normal brain tissue receiving a dose of 12 Gy or higher (V12 Gy) was 8.42 cm3 (range, 0.27‐111.22 cm3). Any‐grade RN occurred in 17.4% and 22.2% in the concurrent and nonconcurrent groups, respectively (P = .67). Symptomatic RN occurred in 4.3% and 14.8% in the concurrent and nonconcurrent groups, respectively (P = .23). Increased tumor volume during SRS (odds ratio [OR], 1.08; 95% confidence interval [CI], 1.01‐1.19; P = .04) was associated with developing RN, although V12 Gy (OR, 1.03; 95% CI, 0.99‐1.06; P = .06), concurrent therapy (OR, 0.74; 95% CI, 0.17‐2.30; P = .76), prior WBRT, and ICI agents were not statistically significant.

CONCLUSIONS

Symptomatic RN occurs in a minority of patients with RCC brain metastases treated with ICI/SRS. The majority of events were grade 1 to 3 and were managed medically. Concurrent ICI/SRS does not appear to increase this risk. Attempts to improve dose conformality (reduce V12) may be the most successful mitigation strategy in single‐fraction SRS.