bluuebunny/crossref_metadata_2025 huggingface dataset:
The Advance and Perspective on Electrode Materials for Metal–Ion Hybrid Capacitors
Authors: Guo Qiang , Chen Nan , Qu Liangti
Published: May 2021

Metal–ion hybrid capacitors (MHC), which provide both high energy and high power density, play a key role as a bridge between the two energy storage methods of batteries and supercapacitors. The improvement of the electrochemical performance in these devices depends critically on the exploration of electrode materials which perform increased levels of energy storage. However, high‐capacity capacitive materials are much needed to match high‐energy battery‐type electrodes. The kinetics between the capacitor‐type electrodes and battery‐type electrodes should be balanced. Benefiting from nanoscience and nanotechnology, their performance level will meet the requirements of practical applications. Although many researchers have reviewed various types of MHCs, available articles in recent years still lack a comprehensive and systematic overview of electrode materials in MHCs. Herein, the progress made in the field of hybrid ion capacitors is systematically reviewed, focusing on lithium, sodium, potassium, zinc, magnesium, calcium, and aluminum–ion hybrid capacitors. Initially, the device assembly modes and the charge storage mechanisms of MHCs are described. Subsequently, recent advances in electrode materials and pretreatment techniques for MHCs are highlighted. Finally, the challenges associated with MHCs are discussed and the continuing research directions are highlighted.
The marmoset as an important primate model for longitudinal studies of neurocognitive aging
Authors: Rothwell Emily S. , Freire‐Cobo Carmen , Varghese Merina , Edwards Mélise , Janssen William G. M. , Hof Patrick R. , Lacreuse Agnès
Published: May 2021

Age‐related cognitive decline has been extensively studied in humans, but the majority of research designs are cross‐sectional and compare across younger and older adults. Longitudinal studies are necessary to capture variability in cognitive aging trajectories but are difficult to carry out in humans and long‐lived nonhuman primates. Marmosets are an ideal primate model for neurocognitive aging as their naturally short lifespan facilitates longitudinal designs. In a longitudinal study of marmosets tested on reversal learning starting in middle‐age, we found that, on average, the group of marmosets declined in cognitive performance around 8 years of age. However, we found highly variable patterns of cognitive aging trajectories across individuals. Preliminary analyses of brain tissues from this cohort also show highly variable degrees of neuropathology. Future work will tie together behavioral trajectories with brain pathology and provide a window into the factors that predict age‐related cognitive decline.
Modeling Uptake of Polyethylenimine/Short Interfering RNA Nanoparticles in Breast Cancer Cells Using Machine Learning
Authors: Nademi Yousef , Tang Tian , Uludağ Hasan
Published: May 2021

Polyethylenimine (PEI) is one of the most promising nonviral vectors for delivery of short interfering RNA (siRNA) agents into cancer cells. A promising approach that increases the delivery efficiency of PEI is its modification with hydrophobic substitutions. However, the performance of modified PEIs depends on the nature and extent of substitutions. Herein, machine learning algorithms are used on the basis of quantitative structure activity relationship (QSAR) method to predict the cellular uptake of hydrophobically modified PEI/siRNA nanoparticles (NPs) into various cancer cell lines. To this end, 3 different regression models, namely, random forest (RF), multilayer perceptron (MLP), and linear regression (LR), are used. The results show that RF and MLP regression methods have a better performance than the LR method, suggesting that nonlinear models are better estimators when predicting the cellular uptake of PEI/siRNA NPs. Additionally, critical descriptors that have major contributions to cellular uptake are found to be PEI‐to‐siRNA weight ratio, type of hydrophobic substitution, as well as total numbers of Cs, unsaturated C, and thioester groups on substitutions in each PEI. This study is the first report that predicts cellular uptake with PEI‐based carriers, which provides valuable insight into the design of performance‐enhancing hydrophobic substituents on PEIs.
Light‐Activated Conjugated Polymers for Antibacterial Photodynamic and Photothermal Therapy
Authors: Fedatto Abelha Thais , Rodrigues Lima Caires Anderson
Published: May 2021

With the growing crisis of the availability of effective antimicrobial treatments, the use of phototherapy has gained increasing interest as an alternative to traditional antibiotic therapy. Even though phototherapy is already used in the clinic, there is an emerging interest in new materials with enhanced antimicrobial activity triggered by light. Among the different light‐responsive materials, conjugated polymers are emerging candidates with successful application in the field of antimicrobial photodynamic and photothermal therapy. Due to their organic composition, easy processability, tailorability of physicochemical properties, and capability of reactive oxygen species (ROS) and heat generation, their use as photoresponsive agents against bacteria has greatly expanded. Conjugated polymers have been designed to interact with specific bacterial targets, and their chemical composition has been optimized to enhance ROS and/or heat generation and new cationic polymers have been developed for augmented water solubility and increased interaction with negatively charged bacteria. Herein, the use of conjugated polymers in the field of phototherapy is discussed, focusing on the different approaches that have improved their performance against bacteria and their current preclinical safety assessment.
There Is Plenty of Room in The Folded Globular Proteins: Tandem Modular Elastomeric Proteins Offer New Opportunities in Engineering Protein‐Based Biomaterials
Authors: Li Hongbin
Published: May 2021

Shock absorber‐like elastomeric (SAE) proteins have become attractive building blocks to engineer protein hydrogels with tailored mechanical properties. These elastomeric proteins are tandem modular proteins consisting of individually folded globular domains and exhibit distinct mechanical properties. In response to stretching, folded globular domains can undergo force‐induced unfolding, leading to a significant change in protein stiffness and energy dissipation. These molecular behaviors of individual proteins can be harnessed and translated into macroscopic mechanical traits of protein hydrogels when such SAE proteins are used as building blocks to engineer protein hydrogels. These SAE proteins offer unique opportunities to rationally design protein‐based hydrogels by programming the mechanical properties of individual proteins at the molecular level, and thus help bridge the gap between biomechanics of macroscopic biomaterials and nanomechanics of single molecules.
Emerging Multimodel Zirconia Nanosystems for High‐Performance Biomedical Applications
Authors: Rathee Garima , Bartwal Gaurav , Rathee Jyotsna , Mishra Yogendra Kumar , Kaushik Ajeet , Solanki Pratima R.
Published: May 2021

Advancement in nanotechnology supports system development to achieve rapid, affordable, and intelligent health management and has raised the urgent demand to explore multimodel affordable metal oxide nanostructures with the features of biocompatible tunable performance and scaled‐up processing. Keeping this as a motivation, zirconia nanostructures (Zr‐NSs) are emerging as nanostructures of choice for advanced biomedical applications due to affordable, scalable production, easy surface modifications, tunable surface morphology, multiphase stability, and acceptability by biological features such as biocompatibility, viability for bioactives, and a high isoelectric point of 9.5. Zr‐NSs, alone and in the form of hybrids, and nanocomposites have demonstrated notable high performance to develop next‐generation biosensors, implanted materials, and bioelectronics. However, their excellent salient features toward high‐performance biomedical system development are not well articulated in the form of a review. To overcome this knowledge gap, herein an attempt is made to summarize state‐of‐the‐art Zr‐NS preparation techniques as per targeted applications, surface functionalization of Zr‐NSs to achieve desired properties, and applications of Zr‐NSs in the field of biomedicine for health wellness. The challenges, possible solutions, and authors’ viewpoints considering prospects in mind are also part of this report.
Cyanine‐Dyad Molecular Probe for the Simultaneous Profiling of the Evolution of Multiple Radical Species During Bacterial Infections
Authors: Wang Zhimin , Cong Thang Do , Zhong Wenbin , Lau Jun Wei , Kwek Germain , Chan‐Park Mary B. , Xing Bengang
Published: May 2021

Real‐time monitoring of the evolution of bacterial infection‐associated multiple radical species is critical to accurately profile the pathogenesis and host‐defense mechanisms. Here, we present a unique dual wavelength near‐infrared (NIR) cyanine‐dyad molecular probe (HCy5‐Cy7) for simultaneous monitoring of reactive oxygen and nitrogen species (RONS) variations both in vitro and in vivo. HCy5‐Cy7 specifically turns on its fluorescence at 660 nm via superoxide or hydroxyl radical (O2.−, .OH)‐mediated oxidation of reduced HCy5 moiety to Cy5, while peroxynitrite or hypochlorous species (ONOO−, ClO−)‐induced Cy7 structural degradation causes the emission turn‐off at 800 nm. Such multispectral but reverse signal responses allow multiplex manifestation of in situ oxidative and nitrosative stress events during the pathogenic and defensive processes in both bacteria‐infected macrophage cells and living mice. Most importantly, this study may also provide new perspectives for understanding the bacterial pathogenesis and advancing the precision medicine against infectious diseases.
Electrical Loss Management by Molecularly Manipulating Dopant‐free Poly(3‐hexylthiophene) towards 16.93 % CsPbI2Br Solar Cells
Authors: Li Ming‐Hua , Shao Jiang‐Yang , Jiang Yan , Qiu Fa‐Zheng , Wang Shuo , Zhang Jianqi , Han Guangchao , Tang Jilin , Wang Fuyi , Wei Zhixiang , Yi Yuanping , Zhong Yu‐Wu , Hu Jin‐Song
Published: May 2021

Inorganic cesium lead halide perovskites offer a pathway towards thermally stable photovoltaics. However, moisture‐induced phase degradation restricts the application of hole transport layers (HTLs) with hygroscopic dopants. Dopant‐free HTLs fail to realize efficient photovoltaics due to severe electrical loss. Herein, we developed an electrical loss management strategy by manipulating poly(3‐hexylthiophene) with a small molecule, i.e., SMe‐TATPyr. The developed P3HT/SMe‐TATPyr HTL shows a three‐time increase of carrier mobility owing to breaking the long‐range ordering of “edge‐on” P3HT and inducing the formation of “face‐on” clusters, over 50 % decrease of the perovskite surface defect density, and a reduced voltage loss at the perovskite/HTL interface because of favorable energy level alignment. The CsPbI2Br perovskite solar cell demonstrates a record‐high efficiency of 16.93 % for dopant‐free HTL, and superior moisture and thermal stability by maintaining 96 % efficiency at low‐humidity condition (10–25 % R. H.) for 1500 hours and over 95 % efficiency after annealing at 85 °C for 1000 hours.
Photo‐driven Oxygen Vacancies Extends Charge Carrier Lifetime for Efficient Solar Water Splitting
Authors: Sun Mao , Gao Rui‐Ting , He Jinlu , Liu Xianhu , Nakajima Tomohiko , Zhang Xueyuan , Wang Lei
Published: May 2021

A photocharge/discharge strategy is proposed to initiate the WO3 photoelectrode and suppress the main charge recombination, which remarkably improves the photoelectrochemical (PEC) performance. The photocharged WO3 surrounded by a 8–10 nm overlayer and oxygen vacancies could be operated more than 25 cycles with 50 h durability without significant decay on PEC activity. A photocharged WO3/CuO photoanode exhibits an outstanding photocurrent of 3.2 mA cm−2 at 1.23 VRHE with a low onset potential of 0.6 VRHE, which is one of the best performances of p‐n heterojunction structure. Using nonadiabatic molecular dynamics combined with time‐domain DFT, we clarify the prolonged charge carrier lifetime of photocharged WO3, as well as how electronic systems of photocharged WO3/CuO semiconductors enable the effective photoinduced electrons transfer from WO3 into CuO. This work provides a feasible route to address excessive defects existed in photoelectrodes without causing extra recombination.
Synthesis of Azaylide‐Based Amphiphiles by the Staudinger Reaction
Authors: Yamashina Masahiro , Suzuki Hayate , Kishida Natsuki , Yoshizawa Michito , Toyota Shinji
Published: May 2021

Catalyst‐ and reagent‐free reactions are powerful tools creating various functional molecules and materials. However, such chemical bonds are usually hydrolysable or require specific functional groups, which limits their use in aqueous media. Herein, we report the development of new amphiphiles through the Staudinger reaction. Simple mixing of chlorinated aryl azide with a hydrophilic moiety and various triarylphosphines (PAr3) gave rise to azaylide‐based amphiphiles NPAr3, rapidly and quantitatively. The obtained NPAr3 formed ca. 2 nm‐sized spherical aggregates (NPAr3)n in water. The hydrolysis of NPAr3 was significantly suppressed as compared with those of non‐chlorinated amphiphiles nNPAr3. Computational studies revealed that the stability is mainly governed by the decrease in LUMO around the phosphorus atom owing to the o‐substituted halogen groups. Furthermore, hydrophobic dyes such as Nile red and BODIPY were encapsulated by the spherical aggregates (NPAr3)n in water.
Dielectric properties of PMMA/KCTO(H) composites for electronics components
Authors: Vikulova Maria , Tsyganov Alexey , Bainyashev Alexey , Artyukhov Denis , Gorokhovsky Alexander , Muratov Dmitry , Gorshkov Nikolay
Published: May 2021

Polymethyl methacrylate/hollandite‐like copper doped potassium titanate high‐k ceramics composites with different filler content (20–60 vol.%) are prepared by simple method of mixing of the polymer solution and ceramics dispersion followed evaporation of the solvent and hot pressing. The particle morphology and size are estimated by SEM. The composites obtained are studied by XRD, FTIR, and TGA methods. The influence of the additive and the concentration of hollandite‐like copper doped potassium titanate high‐k ceramics on dielectric properties (permittivity, conductivity, dielectric loss tangent) are investigated at frequency range from 10−1 to 106 Hz. It is shown that the increasing of ceramics concentration cause the increasing of main dielectric characteristics, namely permittivity up to 40 and dielectric loss up to 0.13 at 60 vol.% of filler and 0.1 Hz. Conductivity percolation threshold for PMMA/KCTO(H) composites was estimated (vc = 0.0773 vol. [20.9 wt. %]). Experimental data on permittivity are compared with different theoretical models (Lichtenecker's model and the Effective Medium Theory model).
Yolk@Shell Nanoreactors Carrying a Cluster of Metal Nanocrystals Stabilized Inside the Hollow Carbon Shell
Authors: Acharya Anubhab , Kumar Amit , Lee In Su
Published: May 2021

Synthesis and stabilization of ultrasmall metal nanocrystals at high temperature have always been challenging due to their self‐aggregating behavior. Here, we introduce a strategy to synthesize a cluster of tiny metal nanocrystals (~3 nm) inside a hollow carbon shell as yolk@shell‐type architecture following a metal‐coordination‐based nanocrystal stabilization at high temperature (500 °C). The successful catalytic reduction of 2‐amino‐4‐nitrophenol demonstrates the efficiency of such nanoreactor in chemical transformation. Further adaptation of this strategy helps in synthesizing bimetallic (Au/Pt, Au/Pd, and Au/Ru) nanocrystals, which unfolds the possibilities to design advanced new‐generation catalysts.
Analysis of the neuroprotective effect of GLP‐1 receptor agonist peptide on cerebral ischemia‐reperfusion injury by Quantitative Proteomics Mass Spectrometry
Authors: Li Ying , Gong Min
Published: May 2021

Objective

The pathological characteristics of cerebral ischemia‐reperfusion injury (CIRI) are complex, and the mechanism involved remains unknown. The treatment for CIRI has become an increasingly important challenge in the clinic, prompting us to explore the mechanism of CIRI. It was reported that GLP‐1 receptor agonist, Liraglutide, exhibited alleviating effects on CIRI. The previous findings suggested that the administration of Liraglutide in rodents results in the attenuation of the infarct volume following ischemia‐reperfusion injury by mediating the reactive oxygen species, apoptotic and necroptotic pathways.

Methods

Here, a proteomic study was performed aiming to clarify the physiological protection role of GLP‐1 receptor agonist during the development of CIRI in MCAO mice. This proteomic investigations is contributed to reveal the mechanism associated with the treatment of GLP‐1 receptor agonist in MCAO mice.

Results

The results indicated that the occurrence of ischemia‐reperfusion led to complex pathological processes, including inflammation, necroptosis and apoptosis. The treatment of Liraglutide significantly reduced the infract volume resulted from ischemia reperfusion injury. The proteomic data revealed that the administration of Liraglutide in MCAO mice induced the various effects on proteins expression level and phosphorylation.

Conclusions

The findings in this study was beneficial for identifying the novel therapeutic target for the treatment of ischemia reperfusion.
Synthesis of 3‐O‐Carboxyalkyl Morphine Derivatives and Characterization of Their Acid‐Base Properties
Authors: Köteles István , Mazák Károly , Tóth Gergő , Horváth Péter , Kiss Eszter , Tűz Boglárka , Hosztafi Sándor
Published: May 2021

The C‐3 phenolic hydroxy group containing morphine derivatives (morphine, oxymorphone, naloxone, naltrexone) are excellent candidates for the synthesis of 3‐O‐functionalized molecules. Achieving free carboxylic group containing derivatives gives the opportunity for further modification and conjugation that could be used for immunization and immunoassays. For this purpose ethyl bromo‐ and chloroacetate can be used as O‐alkylating agents. Hydrolyzing the products affords the appropriate free carboxylic group containing 3‐O‐carboxyalkyl derivatives. As these molecules contain an acidic and a basic functional group the protonation macro‐ and microconstants were determined too, using pH‐potentiometry and NMR‐pH titration, beside fully characterizing their structure using IR, CD, NMR and HR‐MS measurements.
New lesion after endovascular therapy of femoropopliteal lesions for intermittent claudication
Authors: Katsuki Tomonori , Yamaji Kyohei , Soga Yoshimitsu , Iida Osamu , Fujihara Masahiko , Kawasaki Daizo , Ando Kenji
Published: May 2021

Background

Although the incidence of target lesion revascularization (TLR) was decreased in patients who underwent endovascular therapy (EVT) for femoropopliteal (FP) lesions, the clinical impact of newly developed lesions could not be disqualified in those patients.

Methods

Between January 2012 and December 2018, 911 patients with intermittent claudication (IC) who have not been previously treated for this condition underwent a successful EVT for de novo FP lesions in a multicenter registry (WATERMELON registry: neW lesion AfTer EndovasculaR therapy for interMittEnt cLaudicatiON).

Results

The mean follow‐up duration was 3.5 ± 1.9 years. At 5 years, 53% patients underwent limb revascularization, (new lesion: 42% and TLR: 31%). We developed an ordinal risk score to predict the possibility of new lesion revascularization the following risk factors: body mass index (<23 kg/m2, 1 point), diabetes (2 points), hemodialysis (3 points), and atrial fibrillation (2 points). The patients were divided into three groups: low risk group (0–1 points: N = 283), intermediate risk group (2–3 points: N = 395), and high risk group (≥4 points: N = 233). The cumulative 5‐year incidence of new lesion revascularization was 28% in the low risk group, 40% in the intermediate group, and 68% in the high risk group (p < 0.001).

Conclusion

within 5 years after the first EVT, more than half of the patients underwent limb revascularization. Of these patients, 42% underwent new lesion revascularization. Patients with a body mass index <23 kg/m2, diabetes, hemodialysis, and atrial fibrillation had increased risk for new lesion revascularization.
Solution Processing of Topochemically Converted Layered WO3 for Multifunctional Applications
Authors: Sahoo Priyabrata , Gupta Bikesh , Chandra Sahoo Ramesh , Vankayala Kiran , Ramakrishna Matte H. S. S.
Published: May 2021

Solution processing of nanomaterials is a promising technique for use in various applications owing to its simplicity and scalability. However, the studies on liquid‐phase exfoliation (LPE) of tungsten oxide (WO3) are limited, unlike others, by a lack of commercial availability of bulk WO3 with layered structures. Herein, a one‐step topochemical synthesis approach to obtain bulk layered WO3 from commercially available layered tungsten disulfide (WS2) by optimizing various parameters like reaction time and temperature is reported. Detailed microscopic and spectroscopic techniques confirmed the conversion process. Further, LPE was carried out on topochemically converted bulk layered WO3 in 22 different solvents; among the solvents studied, the propan‐2‐ol/water (1 : 1) co‐solvent system appeared to be the best. This indicates that the possible values of surface tension and Hansen solubility parameters for bulk WO3 could be close to that of the co‐solvent system. The obtained WO3 dispersions in a low‐boiling‐point solvent enable thin films of various thickness to be fabricated by using spray coating. The obtained thin films were used as active materials in supercapacitors without any conductive additives/binders and exhibited an areal capacitance of 31.7 mF cm−2 at 5 mV s−1. Photo‐electrochemical measurements revealed that these thin films can also be used as photoanodes for photo‐electrochemical water oxidation.
Titanium‐Oxo Clusters with Bi‐ and Tridentate Organic Ligands: Gradual Evolution of the Structures from Small to Big
Authors: Schubert Ulrich
Published: May 2021

Homometallic titanium oxo clusters are one of the most important groups of metal oxo clusters, with more than 300 examples characterized by X‐ray structure analyses. Most of them are uncharged and are obtained by partial hydrolysis and condensation of titanium alkoxo derivatives. The cluster cores, ranging from 3 to >50 titanium atoms, are stabilized by organic ligands. Apart from residual OR groups, carboxylato and phosphonato ligands are most frequent. The article critically reviews and categorizes the known structures and works out basic construction principles by comparing the different cluster types.
Competing Effects of Chlorination on the Strength of Te⋅⋅⋅O Chalcogen Bonds Select the Structure of Mixed Supramolecular Macrocyclic Aggregates of Iso‐Tellurazole N‐Oxides
Authors: Ho Peter C. , Lomax Justin , Tomassetti Valerie , Britten James F. , Vargas‐Baca Ignacio
Published: May 2021

Chlorination of 3‐methyl‐5‐phenyl‐1,2‐tellurazole‐2‐oxide yielded the λ4Te dichloro derivative. Its crystal structure demonstrates that the heterocycle retains its ability to autoassociate by chalcogen bonding (ChB) forming macrocyclic tetramers. The corresponding Te⋅⋅⋅O ChB distances are 2.062 Å, the shortest observed to date in aggregates of this type. DFT−D3 calculations indicate that while the halogenated molecule is stronger as a ChB donor it also is a weaker ChB acceptor; the overall effect is that the ChBs in the chlorinated homotetramer are not significantly stronger. However, partial halogenation or scrambling selectively yield the 2 : 2 heterotetramer with alternating λ4Te and λ2Te centers, which calculations identified as the thermodynamically preferred arrangement.
Platinum Cyclooctadiene Complexes with Activity against Gram‐positive Bacteria
Authors: Frei Angelo , Ramu Soumya , Lowe Gabrielle J. , Dinh Hue , Semenec Lucie , Elliott Alysha G. , Zuegg Johannes , Deckers Anke , Jung Nicole , Bräse Stefan , Cain Amy K. , Blaskovich Mark A. T.
Published: May 2021

Antimicrobial resistance is a looming health crisis, and it is becoming increasingly clear that organic chemistry alone is not sufficient to continue to provide the world with novel and effective antibiotics. Recently there has been an increased number of reports describing promising antimicrobial properties of metal‐containing compounds. Platinum complexes are well known in the field of inorganic medicinal chemistry for their tremendous success as anticancer agents. Here we report on the promising antibacterial properties of platinum cyclooctadiene (COD) complexes. Amongst the 15 compounds studied, the simplest compounds Pt(COD)X2 (X=Cl, I, Pt1 and Pt2) showed excellent activity against a panel of Gram‐positive bacteria including vancomycin and methicillin resistant Staphylococcus aureus. Additionally, the lead compounds show no toxicity against mammalian cells or haemolytic properties at the highest tested concentrations, indicating that the observed activity is specific against bacteria. Finally, these compounds showed no toxicity against Galleria mellonella at the highest measured concentrations. However, preliminary efficacy studies in the same animal model found no decrease in bacterial load upon treatment with Pt1 and Pt2. Serum exchange studies suggest that these compounds exhibit high serum binding which reduces their bioavailability in vivo, mandating alternative administration routes such as e. g. topical application.
Indirectly Detected DNP‐Enhanced 17O NMR Spectroscopy: Observation of Non‐Protonated Near‐Surface Oxygen at Naturally Abundant Silica and Silica‐Alumina
Authors: Kobayashi Takeshi , Pruski Marek
Published: May 2021

Recent studies have shown that dynamic nuclear polarization (DNP) can be used to detect 17O solid‐state NMR spectra of naturally abundant samples within a reasonable experimental time. Observations using indirect DNP, which relies on 1H mediation in transferring electron hyperpolarization to 17O, are currently limited mostly to hydroxyls. Direct DNP schemes can hyperpolarize non‐protonated oxygen near the radicals; however, they generally offer much lower signal enhancements. In this study, we demonstrate the detection of signals from non‐protonated 17O in materials containing silicon. The sensitivity boost that made the experiment possible originates from three sources: indirect DNP excitation of 29Si via protons, indirect detection of 17O through 29Si nuclei using two‐dimensional 29Si{17O} D‐HMQC, and Carr‐Purcell‐Meiboom‐Gill refocusing of 29Si magnetization during acquisition. This 29Si‐detected scheme enabled, for the first time, 2D 17O−29Si heteronuclear correlation spectroscopy in mesoporous silica and silica‐alumina surfaces at natural abundance. In contrast to the silanols showing motion‐averaged 17O signals, the framework oxygens exhibit unperturbed powder patterns as unambiguous fingerprints of surface sites. Along with hydroxyl oxygens, detection of these moieties will help in gaining more atomistic‐scale insights into surface chemistry.
Electrochemical Recognition of Aromatic Species with Ferrocenylated 1,3,5‐Triazine‐ or 1,3,5‐Triphenylbenzene‐Containing Highly Organized Molecules
Authors: Kosińska Aleksandra I. , Nisiewicz Monika K. , Nowicka Anna M. , Kasprzak Artur
Published: May 2021

Two ferrocenylated organized molecules comprising 1,3,5‐triphenylbenzene (Fc‐1) or 2,4,6‐triphenyl‐1,3,5‐triazine skeletons (Fc‐2) were used for the first time as receptor layers for the electrochemical recognition of polycyclic aromatic hydrocarbons. While our group recently reported the synthesis of Fc‐1, herein the facile synthesis of its 2,4,6‐triphenyl‐1,3,5‐triazine‐containing structural analog (Fc‐2) is presented. Although the synthesis of Fc‐2 was found to be challenging, we achieved a very high yield (89 %) under mild conditions using an acid‐catalyzed imine‐bond formation reaction in 1,4‐dioxane:toluene solvent system. Title compounds were comprehensively characterized with various analytical techniques, including spectroscopic (NMR, FT‐IR, FT‐Raman spectroscopy) methods, high‐resolution mass spectrometry (HRMS), microscopic (SEM) and electrochemical (CV) analyses. Fc‐1 and Fc‐2 were also used for the construction of the first‐of‐a‐kind recognition layers (electrochemical sensors) dedicated to the recognition of polycyclic aromatic hydrocarbons. Fully constructed innovative sensors enabled the efficient recognition of analytes since the limit of detection (LOD) values were not higher than 2.9 μM. Comparative studies between the working parameters of electrochemical sensors comprising Fc‐1 or Fc‐2 were also included in this work.
Smart inter‐operable vehicular communication using hybrid IEEE 802.11p, IEEE 802.16d/e technology
Authors: Kandar Debdatta , Dhilip Kumar V. , Nandi Sukumar
Published: May 2021

To leverage the performance of vehicular communication, hybrid dedicated short‐range communications (DSRC) /WiMAX technology plays a major role in today's scenario. By establishing interoperability between DSRC and WiMAX technologies, communications between vehicle‐to‐vehicle (V2V) and vehicle‐to‐infrastructure (V2I) have been achieved in moving conditions. An interesting thing of this work is to ensure a wide range of services in vehicular communication with high‐speed mobility. In this paper, the authors have proposed different communication scenarios, and the performance of the communication system has been explored in those scenarios. The common Orthogonal Frequency Division Multiplexing (OFDM) technology in the physical layer of both DSRC and WiMAX has been explored and which helps to establish a bridge between different wireless standards. By resolving the major issues like matching the subcarriers and packet size between transmitter and receiver, authors were able to establish the interoperability in vehicular communication. The concept of subchannelization and padding techniques has been used for the successful implementation of this work. The performance analysis of interoperable vehicular communication has been carried out using NS2 simulation software. The simulation results shows the competency of the hybrid IEEE 802.11p/802.16d/e technology by compared with different communication scenarios.
A retrospective analysis of pleural effusion specimens based on the newly proposed International System for Reporting Serous Fluid Cytopathology
Authors: Xu Yi , Hu Ai‐Yan , Wang Shou‐Mei , Wang Qian , Pan Yun‐Cui , Zhang Shu‐Hui
Published: May 2021

Background

Recently, the International System for Reporting Serous Fluid Cytopathology (TIS) has been established, with an aim to standardize reporting and guide clinical decision making.

Methods

The cytological and clinicopathological data of pleural effusions were retrieved from the pathology database and electronic medical records. All specimens were evaluated and reclassified in accordance with the TIS recommendations. Finally, the risk of malignancy (ROM) and performance parameters were measured.

Results

A total of 2454 pleural effusion specimens were included, among which 30 (1.2%), 1670 (68.1%), 151 (6.2%), 54 (2.2%) and 549 (22.4%) patients were classified into non‐diagnostic (ND), negative for malignancy (NFM), atypia of undetermined significance (AUS), suspicious for malignancy (SFM) and malignancy (MAL) groups, respectively. The most commonly diagnosed malignancies were lung cancer (48.4%), ovary cancer (10.2%), breast cancer (7.5%), and 21.3% unknown primary site (UPS). Among the 36 UPS patients, the most common site of origin was lung (36.1%), followed by ovary (13.9%) and breast (11.1%) via immunocytochemistry of cell block. The calculated ROM values were 26.7%, 12%, 62.3%, 77.8% and 100% for ND, NFM, AUS, SFM and MAL groups, respectively. When considering MAL as the only positive group, the diagnostic accuracy, sensitivity, specificity, positive and negative predictive values were determined to be 95.2%, 81.9%, 100%, 100% and 93.6%, respectively.

Conclusion

The newly proposed TIS is an easy‐to‐master, user‐friendly, and standardized classification system, especially when applying on pleural effusions. An adequate serous sample, application of immunocytochemistry, review of cytomorphological data and past medical history could enhance the accuracy of cytological diagnosis.
Influence of biotic vs abiotic processes on the genesis of non‐marine carbonates along the Cameroon Volcanic Line (Cameroon) and palaeofluid provenance
Authors: Bisse Salomon Bertrant , Ekoko Bokanda Eric , Gerber Jacques , Ekomane Emile , Franchi Fulvio
Published: May 2021

Continental spring carbonates are perfect examples of the interaction of biotic and abiotic processes, and they preserve evidence of the velocity of the flow and the chemical composition of the spring water. This study focuses on non‐marine carbonates from fossil and active springs from the Bongongo and Ngol areas along the Cameroon Volcanic Line in South‐West Cameroon. Here, hydrothermal fluids reach the surface giving rise to small thermal springs, with temperatures between 31 and 49°C, and streams creating waterfalls, terracettes and barrage carbonate deposits. Petrographic analyses of these carbonates revealed that they are made up of stacked laminae of fibrous coarse crystals of low‐Mg calcite and laminae of alternate microsparite and micrite. The fibrous coarsely crystalline calcite, often with feather‐like fabric, grows from thin layers of micrite and peloids. Filaments of putative microbial origin are preserved within this peloidal micrite. The laminated microsparite and micrite microfacies is characterised by an intricate mesh of hollow filaments of microbial origin. The long feather‐like crystals of calcite formed in fast‐flowing water where the enhanced CO2 degassing has favoured the precipitation of CaCO3. The laminated micrite and microsparite, on the other hand, are probably formed in ponds where degassing and CO2 removal was lower and the calcite precipitation was fostered by microbial activity. The fast‐forming carbonates show higher Ce contents and very low total rare earth elements, revealing a preferential uptake of Ce with respect to other rare earth elements. This process would explain the positive or null Ce anomaly in continental spring carbonates elsewhere. The geochemical composition of these carbonates can be used as proxy for the characterisation of fluid/rock interactions between the groundwater and the substratum and for the characterisation of the sources of calcium and other elements that constitute tufa and travertines. The samples from Ngol are characterised by light rare earth element enrichment while those from Bongongo are overall enriched in heavy rare earth elements. Carbonates from both localities have a strong positive Eu anomaly (>4), suggesting a contribution from deep‐seated, hydrothermal, crustal fluids in contact with volcanic rocks and the breakdown of plagioclase from the Cameroon Volcanic Line alkali basalts.
American Indian and Alaska Native Enrollment in Clinical Studies in the National Institutes of Health's Intramural Research Program
Authors: Vigil Deionna , Sinaii Ninet , Karp Barbara
Published: May 2021

Clinical studies conducted by the National Institutes of Health's Intramural Research Program (NIH‐IRP) provide eligible individuals with access to innovative research treatments that may not otherwise be available. The NIH‐IRP's mission is to include all Americans, including American Indians and Alaska Natives, in its clinical research. This study is the first to provide data about inclusion of American Indians/Alaska Natives in NIH‐IRP clinical studies. We analyzed data from the more than 1,800 NIH‐IRP protocols active in 2014 and 2017. We found that the absolute number of American Indian/Alaska Native enrollees increased between 2014 and 2017 but remained at 1% of all participants, a disproportionately low level. The number of clinical studies that enrolled American Indian/Alaska Native individuals similarly did not change. NIH efforts to expand participation of American Indians/Alaska Natives in clinical studies has often focused on research within their communities or on health needs specific to these groups. Those efforts should expand to include processes and protections for the proportionate and ethical inclusion of American Indians and Alaska Natives who individually enroll in studies that are not specific to American Indians, Alaska Natives, or their tribal nations.
Advance Research Directives: Dementia Researchers' Views on a Prototype Directive and Implementation Strategies
Authors: Ries Nola , Mansfield Elise
Published: May 2021

Advance research directives (ARDs) enable people to document preferences for future research participation in the event of incapacity. This article reports on interviews with 11 dementia researchers in Australia that focused on the content of a prototype ARD and processes for making and using ARDs. Participants agreed that an ARD template should provide information to explain research and the rationale for making a directive, allow the person to nominate trusted individuals to be involved in future decisions, and record the person's general willingness or unwillingness to be involved in research. Providing a list of various research activities elicits preferences and risk tolerances in more detail. Priority groups for ARD implementation include people with a diagnosis involving progressive cognitive impairment and people interested in research. Researchers and health and legal professionals have a role in promoting ARDs. Our findings suggest that, as a voluntary strategy, ARDs could promote appropriate inclusion in research.
Pyruvate Oxidase Biosensors Based on Glassy Carbon Electrodes Modified with Carbon Nanotubes and Poly(Neutral Red) Synthesized in Ethaline Deep Eutectic Solvent
Authors: Leote Ricardo J. B. , Ghica Mariana E. , Brett Christopher M. A.
Published: May 2021

A novel nanostructured platform for pyruvate oxidase biosensors comprises poly(neutral red) (PNR) prepared by electropolymerization of NR in ethaline deep eutectic solvent (DES) with acid dopant, on a multiwalled carbon nanotubes (MWCNT) modified glassy carbon electrode (GCE). Characterization was by cyclic voltammetry and electrochemical impedance spectroscopy and morphology was examined by scanning electron microscopy. Ascorbate and H2O2 gave a better response at PNRDES/GCE than at PNRaq/GCE. Biosensors for pyruvate and phosphate, immobilizing pyruvate oxidase onto PNRDES/MWCNT/GCE enabled selective determination of pyruvate and phosphate, with micromolar limits of detection. Pyruvate was determined in onion samples and phosphate in water samples.
The Y‐STR landscape of coastal southeastern Han: Forensic characteristics, haplotype analyses, mutation rates, and population genetics
Authors: Fan Haoliang , Zeng Ying , Wu Weiwei , Liu Hong , Xu Quyi , Du Weian , Hao Honglei , Liu Changhui , Ren Wenyan , Wu Weibin , Chen Ling , Liu Chao
Published: May 2021

The Y‐STR landscape of Coastal Southeastern Han (CSEH) living in Chinese southeast areas (including Guangdong, Fujian, and Zhejiang provinces) is still unclear. We investigated 62 Y‐STR markers in a reasonably large number of 1021 unrelated males and 1027 DNA‐confirmed father‐son pairs to broaden the genetic backgrounds of CSEH. In total, 85 null alleles, 121 off‐ladder alleles, and 95 copy number variants were observed, and 1012 distinct haplotypes were determined with the overall HD and DC values of 0.999974 and 0.9912. We observed 369 mutations in 76 099 meiotic transfers, and the average estimated Y‐STR mutation rate was 4.85 × 10–3 (95% CI, 4.4 × 10–3–5.4 × 10–3). The Spearman correlation analyses indicated that GD values (R2 = 0.6548) and average allele sizes (R2 = 0.5989) have positive correlations with Y‐STR mutation rates. Our RM Y‐STR set including 8 candidate RM Y‐STRs, of which DYS534, DYS630, and DYS713 are new candidates in CSEH, distinguished 18.52% of father–son pairs. This study also clarified the population structures of CSEH which isolated in population‐mixed South China relatively. The strategy, SM Y‐STRs for familial searching and RM Y‐STRs for individual identification regionally, could be applicable based on enough knowledge of the Y‐STR mutability of different populations.
Improving Photovoltaic Performance of Pb‐Less Halide Perovskite Solar Cells by Incorporating Bulky Phenylethylammonium Cations
Authors: Thrithamarassery Gangadharan Deepak , Li Pandeng , Zhang Qingzhe , Yang Fan , Izquierdo Ricardo , Sun Baoquan , Ma Dongling
Published: May 2021

Alloyed tin–lead (Sn–Pb) perovskite solar cells (PSCs) exhibit a broader photoresponse up to 1050 nm; however, their efficiency is inferior to that of Pb analogs. Trap‐assisted recombination associated with Sn vacancies formed through Sn2+ oxidation is a major detrimental factor, limiting their efficiency. By incorporating bulkier phenylethylammonium (PEA) cations into Sn–Pb alloyed perovskites, the nonradiative recombination by lowering the number of defects associated with Sn vacancies is reduced. Herein, the effects of PEA cations in different Sn–Pb halide perovskite compositions with a series of characterizations, such as photoluminescence, X‐ray photoelectron spectroscopy, and surface potential measurements, are investigated. As a result of the reduction of traps in PEA‐containing perovskites, a significant improvement of 40% and 15% in photovoltaic performance is observed for Sn‐rich and Pb‐rich Sn–Pb halide perovskites, respectively.
Distributed wind and solar power for grid sustainability and emission reduction
Authors: Noorollahi Younes , Kalantari Amir Shahriar , Saifoddin Amirali , Yousefi Hossein
Published: May 2021

This article intends to maximize the amount of solar and wind power produced while minimizing the tested network's annual energy loss. It also wants to improve the voltage profile and reduce the dependence on the upstream network. Two types of distributed generation sources, that is, wind DGs and solar DGs, are investigated. In this article, the network loads vary according to the local consumption pattern. This research shows that the optimal utilizing of solar and wind distributed generation sources causes energy loss to decrease by about 43% and 94%, respectively. Besides, the grid will receive 1109.49 GWh of energy from the upstream power grid without distributed generation sources. In contrast, solar and wind generation sources receive only 801.47 and 125.84 GWh, respectively. Additionally, in solar and wind scenarios, micro‐grid sends 71.62 and 102.42 GWh energy to the upstream network. Also, by calculating the emission reduction, it was observed that by installing 465.45 MW of the wind turbine units in the area under consideration, the country's CO2 equivalent is reduced by 754,586 tons, and the country's primary energy is reduced by 263,916 TOE.
Numerical simulations of depressurization‐induced gas production from hydrate reservoirs at site GMGS3‐W19 with different free gas saturations in the northern South China Sea
Authors: Mao Peixiao , Wu Nengyou , Sun Jiaxin , Ning Fulong , Chen Lin , Wan Yizhao , Hu Gaowei , Cao Xinxin
Published: May 2021

Class 1 hydrate reservoirs are regarded as the most promising targets for gas production. Previous investigations in the northern South China Sea have proven that the low‐permeability hydrate reservoir at site GMGS3‐W19 is a Class 1 hydrate deposit. However, the dynamic production behaviors of this type of reservoir are not yet fully understood. Here, we report gas recovery from hydrate reservoirs containing underlying free gas layers with different initial gas saturations and investigate the effects of absolute permeability and depressurization pressure on gas production performance. The results show that high initial gas saturation of the underlying free gas layer and low bottom‐hole pressure are advantageous for enhancing the gas production performance. The effects of absolute anisotropic permeability and isotropic permeability on gas recovery from Class 1 hydrate reservoirs are different. For long‐term gas production from this hydrate reservoir with any initial gas saturation, a higher horizontal permeability (permeability anisotropy more than 10) in the hydrate layer is remarkably beneficial to stimulate gas extraction and decrease the amount of produced water replenished by inflows from permeable overlying and underlying sediments. Moreover, the gas production rate is highly consistent with the hydrate dissociation ratio, one of the main factors affecting the gas production performance, in Class 1 hydrate reservoirs with different permeabilities. However, for this type of hydrate reservoir with permeability anisotropy larger than 5, the larger the horizontal permeability in the hydrate layer can form more secondary hydrates. The increment in secondary hydrate formation negatively influences the hydrate dissociation ratio and gas recovery. Thus, it is also significant to weigh the permeability anisotropy of the hydrate layer and the secondary hydrate formation amount during the production progress. These findings can contribute to estimating the gas recovery efficiency in Class 1 hydrate reservoirs and optimizing the production process in similar areas.
Treatment with hypoxia‐mimetics protects cultured rat Schwann cells against oxidative stress‐induced cell death
Authors: David Brian T. , Curtin Jessica J. , Brown Jennifer L. , Coutts David J. C. , Boles Nathan C. , Hill Caitlin E.
Published: May 2021

Schwann cell (SC) grafts promote axon regeneration in the injured spinal cord, but transplant efficacy is diminished by a high death rate in the first 2–3 days postimplantation. Both hypoxic preconditioning and pharmacological induction of the cellular hypoxic response can drive cellular adaptations and improve transplant survival in a number of disease/injury models. Hypoxia‐inducible factor 1 alpha (HIF‐1α), a regulator of the cellular response to hypoxia, is implicated in preconditioning‐associated protection. HIF‐1α cellular levels are regulated by the HIF‐prolyl hydroxylases (HIF‐PHDs). Pharmacological inhibition of the HIF‐PHDs mimics hypoxic preconditioning and provides a method to induce adaptive hypoxic responses without direct exposure to hypoxia. In this study, we show that hypoxia‐mimetics, deferoxamine (DFO) and adaptaquin (AQ), enhance HIF‐1α stability and HIF‐1α target gene expression. Expression profiling of hypoxia‐related genes demonstrates that HIF‐dependent and HIF‐independent expression changes occur. Analyses of transcription factor binding sites identify several candidate transcriptional co‐regulators that vary in SCs along with HIF‐1α. Using an in vitro model system, we show that hypoxia‐mimetics are potent blockers of oxidative stress‐induced death in SCs. In contrast, traditional hypoxic preconditioning was not protective. The robust protection induced by pharmacological preconditioning, particularly with DFO, indicates that pharmacological induction of hypoxic adaptations could be useful for promoting transplanted SC survival. These agents may also be more broadly useful for protecting SCs, as oxidative stress is a major pathway that drives cellular damage in the context of neurological injury and disease, including demyelinating diseases and peripheral neuropathies.