bluuebunny/crossref_metadata_2025 huggingface dataset:
Heterogeneous Co3O4/Carbon Nanofibers for Low Temperature Triethylamine Detection: Mechanistic Insights by Operando DRIFTS and DFT
Authors: Lou Chengming , Wang Kai , Liu Xianghong , Li Xinyu , Wang Hui , Li Lihong , Zheng Wei , Zhang Jun
Published: November 2021

Metal oxide semiconductors (MOS) have been extensively investigated for the detection of toxic organic amines. However, the high working temperature of metal oxide semiconductors (MOS) remains a challenge that greatly limits their potential in sensor technology. Meanwhile, the sensing mechanism of triethylamine (TEA) has not been fully understood. In this work, the authors report the design of heterogeneous Co3O4/carbon nanofibers (Co3O4/CNFs) and their utilization toward TEA detection at low temperature. With an optimized loading density of Co3O4 nanocrystals, the sensor based on Co3O4/CNFs, which exhibits remarkable response to TEA even at room temperature, delivers the best response of Co3O4/CNFs at 150 °C. Notably, the response of Co3O4/CNFs is three times higher than that of pristine Co3O4. More importantly, they, for the first time, elucidate the TEA sensing mechanism via operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations, revealing that the oxidation of TEA undergoes a two‐step process. This work not only paves the way to design high performance sensing materials, but also contributes to the fundamental understanding of a sensing mechanism.
Probing Vibrational Strong Coupling of Molecules with Wavelength‐Modulated Raman Spectroscopy
Authors: Menghrajani Kishan S. , Chen Mingzhou , Dholakia Kishan , Barnes William L.
Published: November 2021

Raman spectroscopy is a powerful technique that enables fingerprinting of materials, molecules, and chemical environments by probing vibrational resonances. In many applications, the desired Raman signals are masked by fluorescence, either from the molecular system being studied, or from adjacent metallic nanostructures. Here, it is shown that wavelength‐modulated Raman spectroscopy provides a powerful way to significantly reduce the strength of the fluorescence background, thereby allowing the desired Raman signals to be clearly recorded. This approach is made use of to explore Raman scattering in the context of vibrational strong coupling, an area that has thus far been problematic to visualise. Specifically, strong coupling between the vibrational modes in a polymer and two types of confined light field, the fundamental mode of a metal‐clad microcavity, and the surface‐plasmon modes of an adjacent thin metal film are looked at. While clear advantages in using the wavelength‐modulated Raman approach are found, these results on strong coupling are inconclusive, and highlight the need for more work in this exciting topic area.
Synthesis of Chiral Nine‐Membered N‐Heterocycles through Silver(I)‐Promoted Cycloaddition and Rearrangement from N‐Vinyl‐α,β‐Unsaturated Nitrones with Chiral 3‐Propioloyloxazolidin‐2‐Ones
Authors: Qin Xiao‐Ting , Zou Ning , Cheng Xiao‐Ling , Liang Cui , Mo Dong‐Liang
Published: November 2021

A variety of chiral nine‐membered N‐heterocycles were prepared in moderate to good yields with high diastereoselectivity through a silver(I)‐catalyzed [3+2] cycloaddition and [3,3]‐rearrangement of N‐vinyl‐α, β‐unsaturated nitrones and chiral 3‐propioloyloxazolidin‐2‐ones. Experimental studies showed that silver catalyst promoted the cycloaddition and rearrangement process, and the stereochemistry of the nine‐membered N‐heterocycles was controlled via [3,3]‐rearrangement by chiral oxazolidinone‐auxiliary through a boat‐like transition state. Moreover, the obtained nine‐membered N‐heterocycle diastereomers were converted to chiral pyrrolizines with high diastereoselectivity and pyrrolizine carboxylate was obtained in 54% yield with 90% ee by the removal of chiral auxiliary.

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Ni‐Catalyzed Direct Carboxylation of Aryl C−H Bonds in Benzamides with CO2
Authors: Pei Chunzhe , Zong Jiarui , Li Bin , Wang Baiquan
Published: November 2021

The direct carboxylation of inert aryl C−H bond catalyzed by abundant and cheap nickel is still facing challenge. Herein, we report the Ni‐catalyzed direct carboxylation of aryl C−H bonds in benzamides under 1 atm of CO2 to afford various methyl carboxylates or phthalimides, dealing with different post‐processing. The reaction displays excellent functional group tolerance and affords moderate to high carboxylation yields under mild conditions. Detail mechanistic studies suggest that a Ni(0)−Ni(II)−Ni(I) catalytic cycle may be involved in this reaction.

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Defect Sites in Zeolites: Origin and Healing
Authors: Palčić Ana , Moldovan Simona , El Siblani Hussein , Vicente Aurelie , Valtchev Valentin
Published: November 2021

This paper deals with the synthesis conditions–defect formation relationship in zeolites. Silicalite‐1 (MFI‐type) is used as a model material. Samples synthesized from a system with high basicity (at 100 °C), a system with moderate basicity (at 150 °C), and a fluoride‐containing system in neutral medium (at 170 °C) are compared. Well‐crystallized materials with sizes ≈0.1, 1–10, and 30–40 µm are obtained. The samples are analyzed by complementary methods providing information on the short‐ and long‐range order in the zeolite framework. A strong correlation between the number of point defects in the zeolite framework and preparation conditions is established. Silicalite‐1 synthesized under mild synthesis conditions from a highly basic system exhibits a larger number of framework defects and thus low hydrophobicity. Further, the calcined samples are subjected to aluminum and silicon incorporation by postsynthesis treatment. The Al/Si incorporation in the zeolite framework and its impact on the physicochemical properties is studied by XRD, TEM/SEM, solid‐state NMR, FTIR, and thermogravimetric analyses. The defects healing as a function of the number of point defects in the initial material and zeolite crystal size is evaluated. The results of this study will serve for fine‐tuning zeolite properties by in situ and postsynthesis methods.
An ultrashort video can teach residents to perform a fingertip injury repair
Authors: Alshawkani Yazan Y. , Orfield Noah J. , Samuel Linsen T. , Kuehl Damon R. , Hagan Hugh J. , Apel Peter J.
Published: December 2021

Background

Acute fingertip injuries are common. Providers in rural and underserved areas often transfer these patients due to lack of comfort and skill with treating these injuries. Current learners prefer short and high‐density educational material. It is unknown if basic hand procedures can be taught using ultrashort training videos. This study investigates whether fingertip repair can be taught using a 60‐second educational video viewed immediately prior to performing the procedure.

Methods

A standardized cadaveric fingertip injury model was developed. Twenty‐three emergency medicine residents each having minimal experience with fingertip injury repair were randomized into one of three study arms: A) no video, B) standard‐length (8‐minute) video, and C) ultrashort (60‐second) video. Each subject was presented with an injured cadaveric finger and asked to prepare for and perform the repair within a 30‐minute time frame. The repair was graded on a 10‐point scale following a standard rubric. Time to completion, preparedness, and subjects’ confidence were also assessed. Results were analyzed by one‐way ANOVA and Kruskal‐Wallis tests.

Results

Mean repair scores for the standard‐length video group (9.5 ± 0.3) and the ultrashort video group (9.2 ± 0.3) were significantly higher than those of the no video group (4.0 ± 0.3, p < 0.05 for both comparisons). Mean time to completion of the exercise was significantly shorter in the ultrashort video group (19 ± 2 minutes) than in the standard‐length video group (26 ± 2 minutes). Subject‐reported outcomes (median preparedness, median post‐repair confidence, and median change in confidence following the procedure) were all significantly higher in the standard‐length video group and the ultrashort video group than in the no video group (p < 0.05 for all comparisons).

Conclusion

A 60‐second educational video viewed immediately prior to performing a fingertip injury repair can effectively teach an emergency medicine resident to correctly perform the procedure.
Dendritic Mesoporous Nanoparticles: Structure, Synthesis and Properties
Authors: Xu Chun , Lei Chang , Wang Yue , Yu Chengzhong
Published: November 2021

Recently, dendritic mesoporous silica nanoparticles with widespread applications have attracted great interest. Despite many publications (>800), the terminology “dendritic” is ambiguous. Understanding what possible “dendritic structures” are, their formation mechanisms and the underlying structure–property relationship is fundamentally important. With the advance of characterization techniques such as electron tomography, two types of tree‐branch‐like and flower‐like structures can be distinguished, both described as “dendritic” in the literature. In this Review, we start with the definition of “dendritic”, then provide critical analysis of reported dendritic silica nanoparticles according to their structural classification. We update the understandings of the formation mechanisms of two types of “dendritic” nanoparticles, highlighting how to control their structural parameters. Applications of dendritic mesoporous nanoparticles are also reviewed with a focus on the biomedical field, providing new insights into the structure–property relationship in this family of nanomaterials.
Synthesis, characterization, and comparative assessment of antimicrobial properties and cytotoxicity of graphene‐, silver‐, and zinc‐based nanomaterials
Authors: Hossain Oindrila , Rahman Ehsanur , Roy Hridoy , Azam Md. Shafiul , Ahmed Shoeb
Published: December 2021

Zinc oxide (ZnO) and graphene oxide (GO) nanoparticles, silver/zinc zeolite (Ag/Zn‐Ze), and graphene oxide‐silver (GO‐Ag) nanocomposites were synthesized and characterized with X‐ray powder Diffraction, Field Emission Scanning Electron Microscope and Fourier Transform‐Infrared Spectroscopy. The antibacterial efficacy of these nanoparticles was evaluated against E. coli. by shake flask method and plate culture method for different concentrations. For 105 cells/mL initial bacterial concentration, minimum inhibitory concentration (MIC) were <160, <320, <320, and >1280 μg/mL, and antibacterial concentration at which 50% cells are inhibited (IC50) were 47, 90, 78, and 250 μg/mL for Ag/Zn‐Ze, GO, GO‐Ag, and ZnO, respectively. Therefore, the shake flask method showed that for all nanoparticle concentrations, Ag/Zn‐Ze, and GO‐Ag exhibited greater inhibition efficacy, which was also highly dependent on initial bacterial concentration. However, in case of the plate culture method, similar range of inhibition capacity was found for Ag/Zn‐Ze, GO‐Ag, and ZnO, whereas GO showed lower potency to inhibit E. coli. In addition, GO‐Ag nanocomposite exhibited more efficacy than Ag/Zn‐Ze when the antibacterial surface was prepared with those. However, Ag/Zn‐Ze showed no toxicity on Vero cells, whereas GO‐Ag exhibited severe toxicity at higher concentrations. This study establishes GO‐Ag and Ag/Zn‐Ze as potent antimicrobial agents; however, their application dosage should carefully be chosen based on cytotoxic effects of GO‐Ag in case of any possible physiological interaction.
Biomimetic Fe‐hydroxyapatite nanoparticle‐reinforced bisphenol A‐glycol methacrylate/triethyleneglycol‐dimethacrylate resins for dental restorative application
Authors: Ning Zhenwu , Chen Kun , Zheng Jing , Yang Dan , Zhou Shaobing , Zhou Zhongrong
Published: December 2021

Commercial bisphenol A‐glycol methacrylate (BisGMA)/triethyleneglycol‐dimethacrylate (TEGDMA) have been widely used as dental restorative material; however, the poor mechanical and anti‐wear properties greatly limited their applied range. In this study, iron‐containing hydroxyapatite (FeHA) nanoparticles that mimic the chemical composition and microstructure of natural bamboo rat incisor enamel were synthesized and used as reinforcement in BisGMA/TEGDMA resins. The as‐prepared polycrystalline FeHA have a rod like morphology with uniformly dispersed iron. The effects of nanoparticle–resin weight ratios on the mechanical properties, tribological properties, and bioactivity of FeHA‐BisGMA/TEGDMA resins were investigated. In vitro bioactivity of the studied resin composites in artificial saliva showed that a dense and continuous apatite layer was formed on the surface of the resin composite. Findings revealed that doping a suitable content of FeHA nanoparticle, especially at 0.75 wt% FeHA, would significantly improve the tribological and mechanical properties as well as bioactivity of the dental resin composites.
Synthesis, rheological characterization, and proposed application of pre‐polyglycerol sebacate as ultrasound contrast agent based on theoretical estimation
Authors: Riaz Ramish , Abbas Shah Rukh , Iqbal Mudassir
Published: November 2021

Elastomers are employed in the field of acoustics as sound enhancers and making tissue‐mimicking phantoms for ultrasound imaging due to their good viscoelastic properties. Polyglycerol sebacate (PGS) is a relatively new biocompatible, biodegradable elastomer with low elastic modulus prepared via two‐step melt condensation reaction. The first step yields a soluble pre‐polymer while the second results in a cured insoluble tough elastomer. The elasticity of polymer is dependent upon curing time. Attractive aspects of pre‐PGS to be used as ultrasound contrast agent lie in its excellent viscoelastic properties, that is, low elastic modulus, near to lipids. This can give it acoustic properties of lipid microbubbles while keeping a stable response of polymeric microbubbles. In this study, pre‐PGS was synthesized via the melt‐condensation method and characterized by FTIR, NMR, TGA, melt flow index, contact angle, titration, and uniaxial compressive testing. Viscosity was measured by the Ostwald technique. These viscoelastic measurements were used to predict the acoustic response of pre‐PGS shell‐based microbubbles by running equations in MATLAB. Pre‐PGS showed an elastic modulus of 1.26 MPa and thermal stability up to 100°C. PGS showed much more elasticity than commercially available Sonovue ultrasound contrast agent, also it has low viscosity (0.016 Pa s) and density (1186 kg/m), due to which it has a low damping coefficient (4.32 × 106) compared to Sonovue (7.63 × 107), giving better oscillations in an acoustic field with higher scattering cross‐sectional area than standard Sonovue microbubbles. Based on these simulations pre‐PGS with 50%–60% degree of esterification showed excellent viscoelastic properties which make it an ideal material for microbubble ultrasound contrast agent.
Distribution of cholinergic neurons in the brains of a lar gibbon and a chimpanzee
Authors: Williams Victoria M. , Bhagwandin Adhil , Swiegers Jordan , Bertelsen Mads F. , Hård Therese , Sherwood Chet C. , Manger Paul R.
Published: November 2021

Using choline acetyltransferase immunohistochemistry, we describe the nuclear parcellation of the cholinergic system in the brains of two apes, a lar gibbon (Hylobates lar) and a chimpanzee (Pan troglodytes). The cholinergic nuclei observed in both apes studied are virtually identical to that observed in humans and show very strong similarity to the cholinergic nuclei observed in other primates and mammals more generally. One specific difference between humans and the two apes studied is that, with the specific choline acetyltransferase antibody used, the cholinergic pyramidal neurons observed in human cerebral cortex were not labeled. When comparing the two apes studied and humans to other primates, the presence of a greatly expanded cholinergic medullary tegmental field, and the presence of cholinergic neurons in the intermediate and dorsal horns of the cervical spinal cord are notable variations of the distribution of cholinergic neurons in apes compared to other primates. These neurons may play an important role in the modulation of ascending and descending neural transmissions through the spinal cord and caudal medulla, potentially related to the differing modes of locomotion in apes compared to other primates. Our observations also indicate that the average soma volume of the neurons forming the laterodorsal tegmental nucleus (LDT) is larger than those of the pedunculopontine nucleus (PPT) in both the lar gibbon and chimpanzee. This variability in soma volume appears to be related to the size of the adult derivatives of the alar and basal plate across mammalian species.
The nature of coxofemoral joint pathology across family Canidae
Authors: Lawler Dennis , Tangredi Basil , Becker Julia , Widga Christopher , Etnier Michael , Martin Terrance , Schulz Kurt , Kohn Luci
Published: November 2021

We evaluated coxofemoral joints from museum specimens of:Vulpes lagopus;Vulpes vulpes;Vulpes velox;Nyctereutes procyonoides;Urocyon cinereoargenteus;Aenocyon[Canis]dirus;Canis latrans;Canis lupus lupus;Canis lupus familiaris;C. l. familiaris × latrans; andCanis dingo. Acetabular components included: fossa; articular surface; medial and lateral articular margins; and periarticular surfaces. Acetabular components variably revealed: osteophyte‐like features; varying appearance of articular margin rims (especially contour changes); rough bone surfaces (especially fossa and articular surface); and surface wear. Proximal femoral components included: articular surface; articular margin; periarticular surfaces; and joint capsule attachment. Femoral components variably revealed: rough bone surface; bone loss; articular margin osteophyte‐like features; caudal post‐developmental mineralized prominence; and enthesophytes along the joint capsule attachment. Non‐metric multidimensional scaling was used to analyze right–left asymmetric relationships between observed traits, across taxa. Significantly different acetabular trait asymmetry involved onlyC. latrans—C. l. familiaris;V. vulpes—N. procyonoides, andU. cinereoargenteus—N. procyonoides. There were no significant lateralized differences in proximal femoral traits involving modern canids, ancient and modernC. l. familiaris, or modern vulpines. Thus, the observations were strongly bilateral. We hypothesized high similarity of traits across taxa. The data confirm the hypothesis and strongly suggest broad and deep morphological and mechanistic conservation that almost certainly pre‐existed (at least) all modern canids. Further zoological studies are needed to evaluate phylogenic implications in greater detail.
Visible‐Light Photosynthesis of CHF2/CClF2/CBrF2‐Substituted Ring‐fused Quinazolinones in Dimethyl Carbonate
Authors: Gui Qing‐Wen , Teng Fan , Yang Hao , Xun Changping , Huang Wen‐Jie , Lu Zi‐Qin , Zhu Meng‐Xue , Ouyang Wen‐Tao , He Wei‐Min
Published: November 2021

With eco‐friendly and sustainable CO2‐derived dimethyl carbonate as the sole solvent, the visible‐light‐induced cascade radical reactions have been established as a green and efficient tool for constructing various CHF2/CClF2/CBrF2‐substituted ring‐fused quinazolinones.
Application of Deconica castanella ligninolytic enzymatic system in the degradation of hexachlorobenzene in soil
Authors: Neto Sergio Luiz Moreira , Coelho Glauciane Danusa , Ballaminut Nara , Matheus Dácio Roberto , Thomaz Douglas Vieira , Machado Katia Maria Gomes
Published: November 2021

Hexachlorobenzene (HCB) is a pollutant still found in the environment despite being widely banned. Considering that basidiomycetes are useful to degrade a variety of organochlorinated pollutants, we therefore report the influence of HCB on the ligninolytic enzymatic system of Deconica castanella. The inoculum was prepared with sugarcane bagasse and soybean flour and was added in soil with and without HCB (2000 mg kg soil−1), 5% emulsion containing soybean oil and Tween 20 at proportion 9:1, v:v; with 70% moisture at 25°C. Fungal biomass was quantified by widely acknowledged growth biomarker ergosterol. The extraction of the enzymatic complex was performed and laccase, Mn‐dependent peroxidase (MnP), and lignin peroxidase (LiP) activities were determined. Furthermore, HCB and its metabolites were quantified by gas chromatography and chlorides by potentiometric titration. Results evidenced that HCB did not interfere in fungal growth, though the only detected enzymatic activity was laccase. MnP and Lip were not detected during D. castanella growth in soil. The peak of laccase enzymatic activity occurred in the presence of HCB. In addition, the laccase exhibited thermostability. Therefore, we hereby shed light on the role of laccase in the degradation of HCB by an efficient low‐cost and environmentally safe detoxification mechanism.
A multifactorial assessment of the SRP pathway constituent FtsY as a vital mycobacterial constituent
Authors: Shivangi  , Meena Laxman S.
Published: November 2021

The signal recognition particle (SRP) system plays an imperative role in transporting the secretory protein to its intended location. The SRP pathway running in Mycobacterium tuberculosis constitutes FtsY (signal receptor), FfH (SRP), and 4.5S RNA in which signal receptor acts in the GTP‐dependent manner. In this study, we are rendering the essential facts of FtsY with respect to mycobacterial growth. The growth study experiment showed that downexpressed FtsY slowed the growth of Mycobacterium smegmatis mc2155 from the initial lag phase to stationary phase. Previously, we have showed that GTPase activity of FtsY is metal ion dependent and showed the maximum activity with 10 mM magnesium. The effect of Mg2+ and Mn2+ on mycobacterial growth showed that Mg2+ did not affect the growth, whereas higher concentration of Mn2+ decreases the bacterial growth. After searching the inhibitor database, 14 GTPase and ATPase inhibitors, Mac0182344, ML141, ITX3, NAV_2729, Br‐GTP, Rhosin_HCl, Mac0182099, CCG_50014, CID_1067700, Mac0174809, Nsc_23766, Berberine, Nexinhib20, and EHT1864, were found to interact with FtsY. Further, ML141 and NAV2729 found to decrease the enzymatic activity of FtsY as well as the mycobacterial growth. Therefore, the conclusive statement of the present study can be stated as that the FtsY plays major role in mycobacterial cell survival and ML141 and NAV2729 can be used to constrain the SRP pathway.
A 3D Porous Inverse Opal Ni Structure on a Cu Current Collector for Stable Lithium‐Metal Batteries
Authors: Jeong Soo Min , Wu Mihye , Kim Tae Yeong , Kim Dong Hwan , Kim Se‐Hee , Choi Hong Kyoon , Kang Yun Chan , Kim Do Youb
Published: November 2021

Lithium (Li) metal is considered the best anode material for next‐generation high‐energy density Li‐metal batteries. However, Li dendrite formation and growth hinder the practical applications of Li metal anodes. Herein, we report a three‐dimensional (3D) porous inverse opal nickel structure on a copper foil current collector (Ni IO@Cu) that has a controllable pore size and thickness and is fabricated via colloidal self‐assembly and electrodeposition. The uniform interconnected pores with a large surface area of the Ni IO@Cu structure can effectively dissipate high areal current densities, resulting in the stable formation of a solid electrolyte interface and dense, dendrite‐free, flat lithium deposits. In comparison to the use of bare Cu, the use of the Ni IO@Cu current collector resulted in greatly improved stability and lowered the voltage hysteresis in various Li plating/stripping tests. Moreover, Li‐ion battery and Li‐sulfur battery full cells prepared using the Ni IO@Cu also displayed excellent cycling performance. This work further demonstrates the significance of the 3D porous structure for preparing dendrite‐free Li metal anodes.
Anions Tuned Solid Electrolyte Interphase in Lithium‐Ion Batteries
Authors: Li Shi‐You , Xu Fei , Zhang Ning‐Shuang , Wang Peng , Wang Jie
Published: December 2021

It is a key and challenging problem to study how the lithium salt anion affects the solid electrolyte interphase (SEI) film formation process. However, the current research focuses on the solvation structure of electrolytes with a general considered conclusion of the preferential reduction effect of anions, while the action mechanism of anions on the solvation structure is rarely studied. Herein, the specific role of anions in the SEI film formation process is illustrated by comparing the influence of anions on the solvation structure with two kinds of boron containing lithium salts. It is found that lithium salt anions can affect the coordination capability of lithium ions and solvents, and then affect the energy consumption in the desolvation process of lithium ions and the composition of SEI film. This work provides a method to study the film formation process, which have certain reference and guide significance for the research of electrolyte field.
Synthesis and Performance Optimization of Manganese‐based Cathode Materials for Zinc‐Ion Batteries
Authors: Wang Song , Sang Zhiyuan , Zhao Xinqi , Guo Jingdong , Chen Hao , Yang De'an
Published: December 2021

Owing to the low cost, high specific capacity and high safety, zinc‐ion batteries (ZIBs) have great advantages in replacing lithium‐ion batteries to meet future demand for energy storage. Manganese‐based cathode materials, benefiting from the abundant reserves, non‐toxic, acceptable capacity and long cycle stability, have been widely developed and applied to develop high performance ZIBs. Unfortunately, poor conductivity, Mn2+ dissolution and unstable structure hinder it to achieve an ideal electrochemical performance. Thus, an overview of the cathodic performance optimization strategies and the synthesis is provided. Firstly, the synthesis methods and their influence on the morphology and structure are summarized. Secondly, various strategies of performance optimization, including structure design, compositing with conductive materials, pre‐intercalation, defect engineering and electrochemical activation, are categorized and analyzed in detail. Lastly, perspectives on the subsequent performance optimization are proposed. It is expected that this review will be beneficial to future scientific research on tailoring manganese‐based cathode materials for ZIBs.
Current‐Corrected Cycling Strategies for True Electrode Performance Measurement
Authors: Yan Zilai , Scott Benjamin , Glazier Stephen L. , Obrovac Mark N.
Published: December 2021

In battery research, galvanostatic cycling is the most widely used strategy to evaluate electrode performance. By applying pre‐set current throughout the test, this method often fails to accurately reflect electrode performance at the designed cycling rate (particularly for high‐rate cycling) because the actual capacity can be considerably affected by polarization and electrode degradation. To address this issue, a current‐corrected cycling method is proposed, in which the current is actively adjusted during cycling based on the measured capacity of previous cycles. Compared to the traditional method, which may result in cycling rates that are hundreds of times faster than the designed rate, the proposed cycling strategy can effectively measure rate‐dependent electrode performance precisely at designated rates. The authors believe this method is highly useful in electrode/battery performance evaluation for practical cell design, particularly in fast‐charging applications.
Crocin attenuates inflammation of lung tissue in ovalbumin‐sensitized mice by altering the expression of endoplasmic reticulum stress markers
Authors: Aslani Mohammad Reza , Amani Mojtaba , Masrori Neghin , Boskabady Mohammad Hossein , Ebrahimi Hossein Ali , Chodari Leila
Published: December 2021

Endoplasmic reticulum (ER) stress plays a pivotal role in the pathogenesis of asthma. The present study aimed to investigate the reducing or suppressing effects of crocin in ovalbumin (OVA)‐sensitized mice on ER stress markers. Mice were divided into six groups (n = 5 per group) including control, OVA‐sensitized (OVA), OVA‐treated crocin (OVA‐Cr25, OVA‐Cr50, and OVA‐Cr100 mg/kg), and OVA‐treated dexamethasone (1 mg/kg), (OVA‐Dexa) groups. Animals 5 later groups were sensitized to OVA and the treatment groups received intraperitoneally crocin/dexamethasone in the last 5 days of the model. At the end of the study, lung tissue was evaluated for airway inflammation, caspase 12 and CHOP protein levels, and expression of ER stress markers using real‐time‐PCR. Sensitization with OVA significantly caused airway inflammation and induction of ER stress in mice compared to the control group based on the elevated inflammatory cells and ER stress markers in the lung tissue. Treatment with crocin and dexamethasone reduced airway inflammation and suppressed ER stress markers. Interestingly, in the OVA‐Cr100 group, the suppressive effects on ER stress apoptotic markers were comparable to the OVA‐Dexa group. The results suggest that crocin mediates maladaptive ER stress conditions possibly by creating adaptive ER stress status and driving protein folding correctly.
Identification of anti–hepatic fibrosis components in Periplaneta americana based on spectrum–effect relationship and chemical component separation
Authors: Fu Wenpeng , Zhao Yanwen , Xie Jingjing , Yang Yongshou , Xiao Peiyun
Published: November 2021

Periplaneta americana (PA) is used as a traditional medicine for hepatic diseases such as hepatic fibrosis in China. However, the relationship between the corresponding therapeutic effect and the chemical composition is still unclear. In this study, spectrum–effect relationship and chemical component separation were used to discover the potential of anti–hepatic fibrosis components of PA. The fingerprints of 10 batches of samples were established using HPLC, and the anti–hepatic fibrosis effect was determined using HSC‐T6 cells. The spectrum–effect relationship between common peaks and efficacy values was established using partial least squares analysis. Partial peaks in the fingerprints were identified, including X4 (9,12‐heptadecanedenoic acid glyceride), X5 (nonadecanoic acid methyl ester), X6 (glyceryl oleate), X7 (13,16,19‐eicosatrienoic acid), X9 (linoleic acid), X10 (9,12,15‐octadecatrienoic acid glyceride), X12 (hexadecanoic acid), X13 (oleic acid), and X14 (octadecanoic acid), and their anti–hepatic fibrosis activity was tested to verify the results of spectrum–effect relationships. The results showed that X4, X6, X7, and X10 were the active ingredients of PA. This work successfully identified the partial anti–hepatic fibrosis components of PA, which can be used to explain the material basis for the PA anti–hepatic fibrosis effect.
Establishment and validation of an SIL‐IS LC–MS/MS method for the determination of ibuprofen in human plasma and its pharmacokinetic study
Authors: Wang Changmao , Wang Yaqin , Xie Haitang , Zhan Cuijiao , He Xuejun , Liu Ran , Hu Rongfeng , Shen Jie , Jia Yuanwei
Published: November 2021

In this work, we developed and validated a highly sensitive, rapid and stable LC–MS/MS method for the determination of ibuprofen in human plasma with ibuprofen‐d3 as a stable isotopically labeled internal standard (SIL‐IS). Human plasma samples were prepared by one‐step protein precipitation. The chromatographic separation was achieved on a Poroshell 120 EC‐C18 (2.1 × 50 mm, 2.7 μm). Aqueous solution (containing 0.05% acetic acid and 5 mm NH4Ac) and methanol were selected as the mobile phase with gradient elution. An electrospray ionization source was applied and operated in negative ion mode. Multiple reaction monitoring mode was used for quantification using target fragment ions m/z 205.0 → 161.1 for ibuprofen and m/z 208.0 → 164.0 for SIL‐IS, respectively. This method exhibited a linear range of 0.05–36 μg/ml for ibuprofen with correlation coefficient >0.99. Mean recoveries of ibuprofen in human plasma ranged from 78.4 to 80.9%. The RSD of intra‐ and inter‐day precision were both < 5%. The accuracy was between 88.2 and 103.67%. The matrix effect was negligible in human plasma, including lipidemia and hemolytic plasma. A simple, efficient and accurate LC–MS/MS method was successfully established and applied to a pharmacokinetic study in healthy Chinese volunteers after a single oral administration of ibuprofen granules.
The association between coracoacromial ligament morphology and rotator cuff tears: A cadaveric study
Authors: Alraddadi Abdulrahman , Alashkham Abduelmenem , Lamb Clare , Soames Roger
Published: December 2021

To determine the association between coracoacromial ligament (CAL) morphology and rotator cuff tears. The present study is a prospective cohort study based on the dissection of 172 shoulders from 86 (46 female, 40 male) formalin embalmed European Caucasian cadavers, with a median age of 82 years. The anatomy of CAL was examined, including its morphology and parametric measurements, while the rotator cuff tendons were inspected for the presence of tears. Gross examination of the CAL in 155 shoulders revealed a variable number of bands as follows: 28 (18%) had one band, 56 (36%) two bands and 71 (46%) three or more bands. Inspection of the rotator cuff tendons showed the presence of tears in 77 (50%) shoulders, of which 37 (24%) were partial and 40 (26%) were full‐thickness tears. Statistical analysis showed a significant association (P < 0.05) between CAL band number and the prevalence of a rotator cuff tear. A high proportion of rotator cuff tears were observed in shoulders with two (52%) and three or more CAL bands (56%) compared to single band ligaments (29%). Parametric assessment of the CAL in shoulders with rotator cuff tears showed significantly greater (P < 0.05) attachment widths and ratios, thicker ligament bands, and larger cross‐sectional areas compared to the control group. Coracoacromial ligaments with more than a single band have a strong association with rotator cuff tears.
Lithium Storage Properties of TiC‐Modified SnS2 Nanosheets
Authors: Ren Ying , Shi Qi , Zhang Guifeng
Published: December 2021

To deal with the problem of low conductivity and easy restacking of SnS2 nanosheets, TiC‐modified SnS2 nanosheets have been obtained by sulfurization of Sn/TiC precursors. Electrochemical test results show that a synergistic effect of ultrathin SnS2 nanosheets and highly conductive TiC can significantly improve the lithium storage properties of the nanocomposite. The higher the TiC content in the SnS2/TiC nanosheets, the greater their capacity. More specifically, an SnS2/TiC (35 %) electrode delivers a high reversible capacity of 631 mAh g−1 at 0.3 A g−1 after 100 cycles, corresponding to a capacity retention of 87.0 %. Moreover, it exhibits a higher surface area of 50.076 m2 g−1 and outstanding cyclability with a reversible capacity of 597 mAh g−1 at 1 A g−1 after 350 cycles. Overall SnS2/TiC nanosheets have high yield and purity, and their preparation is simple, making them an ideal candidate material for high‐performance anodes in next‐generation Li‐ion batteries.
Ruthenium Complexes Bearing Axially Chiral Bipyridyls: The Mismatched Diastereomer Showed Red Circularly Polarized Phosphorescence
Authors: Takaishi Kazuto , Nakatsuka Yusuke , Asano Hitomi , Yamada Yuya , Ema Tadashi
Published: November 2021

RutheniumII complexes bearing three axially chiral bipyridyl ligands were synthesized as a new family of chiral complex dyes, and Δ‐(S)‐ and Λ‐(S)‐diastereomers were obtained. The X‐ray crystal structure analyses, spectroscopy, and DFT calculations suggested that all the bipyridyls maintained chirality in both the ground and excited states, and the Δ‐(S)‐ and Λ‐(S)‐isomers are the matched (more relaxed) and mismatched (more constrained) pairs, respectively. The mismatched Λ‐(S)‐isomer exhibited red circularly polarized phosphorescence (CPP) both in solution and in the solid state. The solution state CPP is the most intense of ruthenium complexes, while the solid state CPP is the first example of them. It is supposed that, for the Λ‐(S)‐isomer, the six cumulative CH/π interactions suppress further distortion in the T1 state.
Ultrafiltration and cardiopulmonary bypass associated acute kidney injury: A systematic review and meta‐analysis
Authors: Kandil Omneya A. , Motawea Karam R. , Darling Edward , Riley Jeffrey B. , Shah Jaffer , Elashhat Mohamed Abdalla Mohamed , Searles Bruce , Aiash Hani
Published: November 2021

Background

Cardiopulmonary bypass is known to raise the risk of acute kidney injury (AKI). Previous studies have identified numerous risk factors of cardiopulmonary bypass including the possible impact of perioperative ultrafiltration. However, the association between ultrafiltration (UF) and AKI remains conflicting. Thus, we conducted a meta‐analysis to further examine the relationship between UF and AKI.

Hypothesis

Ultrafiltration during cardiac surgery increases the risk of developping Acute kidney Injury.

Methods

We searched PubMed, Web of Science, EBSCO, and SCOPUS through July 2021. The RevMan (version 5.4) software was used to calculate the pooled risk ratios (RRs) and mean differences along with their associated confidence intervals (95% CI).

Results

We identified 12 studies with a total of 8005 patients. There was no statistically significant difference in the incidence of AKI between the group who underwent UF and the control group who did not (RR = 0.90, 95% CI = 0.64−1). Subgroup analysis on patients with previous renal insufficiency also yielded nonsignificant difference (RR = 0.84, 95% CI = 0.53 −1.33, p = .47). Subgroup analysis based on volume of ultrafiltrate removed (> or <2900 ml) was not significant and did not increase the AKI risk as predicted (RR = 0.82, 95% CI = 0.63 −1.07, p = .15). We also did subgroup analysis according to the type of UF and again no significant difference in AKI incidence between UF groups and controls was observed in either the conventional ultrafiltration (CUF), modified ultrafiltration (MUF), zero‐balanced ultrafiltration (ZBUF), or combined MUF and CUF subgroups.

Conclusion

UF in cardiac surgery is not associated with increased AKI incidence and may be safely used even in baseline chronic injury patients.
Metal‐Based Aggregation‐Induced Emission Theranostic Systems
Authors: Shen Hanchen , Xu Changhuo , Sun Feiyi , Zhao Mengying , Wu Qian , Zhang Jianyu , Li Sijie , Zhang Jing , Lam Jacky W. Y. , Tang Ben Zhong
Published: November 2021

Efficient theranostic systems can realize better outcomes in disease treatment because of precise diagnosis and the concomitant effective therapy. Aggregation‐induced emission luminogens (AIEgens) are a unique type of organic emitters with intriguing photophysical properties in the aggregate state. Among the AIEgens studied for biomedical applications, so far, metal‐based AIE systems have shown great potential in theranostics due to the enhanced multimodal bioimaging ability and therapeutic effect. This research field has been growing rapidly, and many rationally designed systems with promising activities to cancer and other diseases have been reported recently. In this review, we summarized the recent progress of metal‐based AIE materials in bioimaging and biological theranostics, and deciphered the pertinent design strategies. We hope that this review can offer new insights into the development of this growing field.
Comparative Hydrophobic Core Dynamics Between Wild‐Type Amyloid‐β Fibrils, Glutamate‐3 Truncation, and Serine‐8 Phosphorylation
Authors: Vugmeyster Liliya , Fai Au Dan , Smith Matthew C. , Ostrovsky Dmitry
Published: November 2021

Post‐translational modifications (PTMs) of amyloid‐β (Aβ) species are implicated in the modulation of overall toxicities and aggregation propensities. We investigated the internal dynamics in the hydrophobic core of the truncated ΔE3 mutant fibrils of Aβ1–40and compared them with prior and new data for wild‐type fibrils as well as with phosphorylated S8 fibrils. Deuteron static solid‐state NMR techniques, spanning line‐shape analysis, longitudinal relaxation, and chemical exchange saturation transfer methods, were employed to assess the rotameric jumps of several methyl‐bearing and aromatic groups in the core of the fibrils. Taken together, the results indicate the rather significant influence of the PTMs on the hydrophobic core dynamics, which propagates far beyond the local site of the chemical modification. The phosphorylated S8 fibrils display an overall rigidifying of the core based on the higher activation barriers of motions than the wild‐type fibrils, whereas the ΔE3 fibrils induce a broader variety of changes, some of which are thermodynamic in nature rather than the kinetic ones.
Comprehensive phenotyping of human peripheral blood B lymphocytes in pathological conditions
Authors: Carsetti Rita , Corrente Francesco , Capponi Claudia , Mirabella Mattia , Cascioli Simona , Palomba Patrizia , Bertaina Valentina , Pagliara Daria , Colucci Manuela , Piano Mortari Eva
Published: December 2021

Several diseases are associated with alterations of the B‐cell compartment. Knowing how to correctly identify by flow cytometry the distribution of B‐cell populations in the peripheral blood is important to help in the early diagnosis. In the accompanying article we describe how to identify the different B‐cell subsets in the peripheral blood of healthy donors. Here we show a few examples of diseases that cause dysregulation of the B‐cell compartment.
A novel strategy for the detection of boldenone undecylenate misuse in cattle using ultra‐high performance liquid chromatography coupled to high resolution orbitrap mass spectrometry: From non‐targeted to targeted
Authors: Rocha Diego G. , Lana Mary Ane G. , de Assis Débora C. S. , de Macedo Adriana N. , Corrêa Joane M. M. , Augusti Rodinei , Faria Adriana F.
Published: December 2021

In this work multivariate strategies were employed in order to highlight new potential biomarkers of interest to detect the exogenous treatment of steers intramuscularly treated with boldenone undecylenate. Serum samples collected from treated (n = 4) and control (n = 8) crossbred animals of varying ages and weights were extracted using a simple sample preparation procedure based on salt assisted liquid–liquid extraction. Data acquisition was performed using liquid chromatography and Q‐Exactive™ Orbitrap mass spectrometry. Data processing and treatment were performed using two non‐targeted workflows: (1) Compound Discoverer software and (2) XCMS package on the open‐source R software combined with MetaboAnalyst. Three potential biomarkers were highlighted taking into account the chromatographic shapes, the feature location on the generated s‐plots, the fold change, the adjusted p values, the coefficient of variation in the QC samples and the area under the ROC curves. Predicted formulas based on mass accuracy, structural composition and spectra similarity were proposed. A robust statistical model to predict the boldenone treatment was further developed based on the weighted abundances of the selected biomarkers. The requirements for screening methods were successfully fulfilled, together with a wider detection window in comparison with the monitoring of the deconjugated metabolite boldenone, although biomarker identification studies are still ongoing.
NT‐proBNP as a marker for atrial fibrillation and heart failure in four observational outpatient trials
Authors: Werhahn Stefanie M. , Becker Christian , Mende Meinhard , Haarmann Helge , Nolte Kathleen , Laufs Ulrich , Zeynalova Samira , Löffler Markus , Dagres Nikolaos , Husser Daniela , Dörr Marcus , Gross Stefan , Felix Stephan B. , Petersmann Astrid , Herrmann‐Lingen Christoph , Binder Lutz , Scherer Martin , Hasenfuß Gerd , Pieske Burkert , Edelmann Frank , Wachter Rolf
Published: December 2021

Aims

Heart failure (HF) and atrial fibrillation (AF) frequently coexist and are both associated with increased levels of N‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP). It is known that AF impairs the diagnostic accuracy of NT‐proBNP for HF. The aim of the present study was to compare the diagnostic and predictive accuracy of NT‐proBNP for HF and AF in stable outpatients with cardiovascular risk factors.

Methods and results

Data were obtained from the DIAST‐CHF trial, a prospective cohort study that recruited individuals with cardiovascular risk factors and followed them up for 12 years. Data were validated in three independent population‐based cohorts using the same inclusion/exclusion criteria: LIFE‐Adult (n = 2869), SHIP (n = 2013), and SHIP‐TREND (n = 2408). Serum levels of NT‐proBNP were taken once at baseline. The DIAST‐CHF study enrolled 1727 study participants (47.7% female, mean age 66.9 ± 8.1 years). At baseline, patients without AF or HF (n = 1375) had a median NT‐proBNP of 94 pg/mL (interquartile range 51;181). In patients with AF (n = 93), NT‐proBNP amounted to 667 (215;1130) pg/mL. It was significantly higher than in the first group (P < 0.001) and compared with those with only HF [n = 201; 158 (66;363) pg/mL; P < 0.001]. The highest levels of NT‐proBNP [868 (213;1397) pg/mL] were measured in patients with concomitant HF and AF (n = 58; P < 0.001 vs. control and vs. HF, P = 1.0 vs. AF). In patients with AF, NT‐proBNP levels did not differ between those with HF and preserved ejection fraction (EF) > 50% [n = 38; 603 (175;1070) pg/mL] and those without HF (P = 1.0). Receiver‐operating characteristic curves of NT‐proBNP showed a similar area under the curve (AUC) for the detection of AF at baseline (0.84, 95% CI [0.79–0.88]) and for HF with EF < 50% (0.78 [0.72–0.85]; P = 0.18). The AUC for HF with EF > 50% was significantly lower (0.61 [0.56–0.65]) than for AF (P = 0.001). During follow‐up, AF was newly diagnosed in 157 (9.1%) and HF in 141 (9.6%) study participants. NT‐proBNP was a better predictor of incident AF during the first 2 years (AUC: 0.79 [0.75–0.83]) than of newly diagnosed HF (0.59 [0.55–0.63]; P < 0.001). Data were validated in three independent population‐based cohorts (LIFE‐Adult, n = 2869; SHIP, n = 2013; and SHIP‐TREND, n = 2408).

Conclusions

In stable outpatients, NT‐proBNP is a better marker for prevalent and incident AF than for HF. In AF patients, the diagnostic value of NT‐proBNP for HF with EF > 50% is very limited.
Evolutionary de Winter pattern: from STEMI to de Winter ECG—a case report
Authors: Huang Weijun , Mai Linlin , Lu Jianhua , Li Wenshen , Huang Yuli , Hu Yunzhao
Published: December 2021

The de Winter electrocardiography (ECG) pattern is a sign that implies proximal left anterior descending coronary artery occlusion in patients with chest pain. We report a case of a 34‐year‐old man with a history of smoking who presented to the local emergency department with a 49 min history of chest pain. The first ECG of the patient indicated that ST‐segment elevation was noted in the lead V2–V4; 57 min later, a second ECG revealed a typical de Winter syndrome when the patient was transferred to the emergency chest pain centre of our hospital. A percutaneous coronary intervention (PCI) was performed approximately 8 h later because the patient initially refused the PCI. Acute coronary artery angiography showed that the proximal left anterior descending coronary artery was completely occluded. Our case suggests that ST‐segment elevation myocardial infarction may evolve in the direction of de Winter, which reflects a coronary thrombus in formation, so the de Winter ECG pattern should not be considered static.