bluuebunny/crossref_metadata_2025 huggingface dataset:
Light‐Powered Ion Pumping in a Cation‐Selective Conducting Polymer Membrane
Authors: Nie Xiaoyan , Hu Ziying , Xiao Tianliang , Li Li , Jin Jiao , Liu Kesong , Liu Zhaoyue
Published: February 2022

The simulation of the ion pumping against a proton gradient energized by light in photosynthesis is of significant importance for the energy conversion in a non‐biological environment. Herein, we report light‐powered ion pumping in a polystyrene sulfonate anion (PSS) doped polypyrrole (PPy) conducting polymer membrane (PSS‐PPy) with a symmetric geometry. This PSS‐PPy conducting polymer membrane exhibits a cationic selectivity and a light‐responsive surface‐charge‐governed ion transport attributed to the negatively charged PSS groups. An asymmetric visible irradiation on one side of the PSS‐PPy membrane induces a built‐in electric field across the membrane due to the intrinsic photoelectronic property of PPy, which drives the cationic transport against the concentration gradient, demonstrating an ion‐pumping effect. This work is a prototype that uses a geometry‐symmetric conducting polymer membrane as a light‐powered artificial ion pump for active ion transport, which exhibits potential applications in nanofluidic energy conversion.
A Morphing [4Fe‐3S‐nO]‐Cluster within a Carbon Monoxide Dehydrogenase Scaffold
Authors: Jeoung Jae‐Hun , Fesseler Jochen , Domnik Lilith , Klemke Friederike , Sinnreich Malte , Teutloff Christian , Dobbek Holger
Published: February 2022

Ni,Fe‐containing carbon monoxide dehydrogenases (CODHs) catalyze the reversible reduction of CO2 to CO. Several anaerobic microorganisms encode multiple CODHs in their genome, of which some, despite being annotated as CODHs, lack a cysteine of the canonical binding motif for the active site Ni,Fe‐cluster. Here, we report on the structure and reactivity of such a deviant enzyme, termed CooS‐VCh. Its structure reveals the typical CODH scaffold, but contains an iron‐sulfur‐oxo hybrid‐cluster. Although closely related to true CODHs, CooS‐VCh catalyzes neither CO oxidation, nor CO2 reduction. The active site of CooS‐VCh undergoes a redox‐dependent restructuring between a reduced [4Fe‐3S]‐cluster and an oxidized [4Fe‐2S‐S*‐2O‐2(H2O)]‐cluster. Hydroxylamine, a slow‐turnover substrate of CooS‐VCh, oxidizes the hybrid‐cluster in two structurally distinct steps. Overall, minor changes in CODHs are sufficient to accommodate a Fe/S/O‐cluster in place of the Ni,Fe‐heterocubane‐cluster of CODHs.
Super‐Robust Xanthine–Sodium Complexes on Au(111)
Authors: Chen Chong , Ding Pengcheng C. , Li Zhuo , Shi Guoqiang Q. , Sun Ye , Kantorovich Lev N. , Besenbacher Flemming , Yu Miao
Published: February 2022

A widely accepted theory is that life originated from the hydrothermal environment in the primordial ocean. Nevertheless, the low desorption temperature from inorganic substrates and the fragileness of hydrogen‐bonded nucleobases do not support the required thermal stability in such an environment. Herein, we report the super‐robust complexes of xanthine, one of the precursors for the primitive nucleic acids, with Na. We demonstrate that the well‐defined xanthine–Na complexes can only form when the temperature is ≥430 K, and the complexes keep adsorbed even at ≈720 K, presenting as the most thermally stable organic polymer ever reported on Au(111). This work not only justifies the necessity of high‐temperature, Na‐rich environment for the prebiotic biosynthesis but also reveals the robustness of the xanthine–Na complexes upon the harsh environment. Moreover, the complexes can induce significant electron transfer with the metal as inert as Au and hence lift the Au atoms up.
Cytotoxicity of piano‐stool ruthenium cyclopentadienyl complexes bearing different imidato ligands
Authors: Juszczak Michał , Kluska Magdalena , Kosińska Aneta , Palusiak Marcin , Rybarczyk‐Pirek Agnieszka J. , Wzgarda‐Raj Kinga , Rudolf Bogna , Woźniak Katarzyna
Published: February 2022

In these studies, we investigated a cytotoxic and genotoxic potential of four ruthenium cyclopentadienyl complexes bearing different imidato ligands: (η5‐cyclopentadienyl)Ru (CO)2(η1‐N‐maleimidato) (1), (η5‐cyclopentadienyl)Ru (CO)2‐N‐methoxysuccinimidato (2), (η5‐cyclopentadienyl)Ru (CO)2‐N‐ethoxysuccinimidato (3), and (η5‐cyclopentadienyl)Ru (CO)2‐N‐phthalimidato (4). We used two types of cells—normal peripheral blood mononuclear cells (PBMCs) and leukemic HL‐60 cells. We observed that complex 1 was highly cytotoxic and genotoxic, both for normal and cancer cells at concentrations from 0.5 to 250 μM. Interestingly, complex 1 was 10 times more cytotoxic to HL‐60 cells compared with PBMCs. Complexes 2–4 were cytotoxic only for HL‐60 cells at the highest used concentrations. Furthermore, we observed an increase in the viability of PBMCs after incubation with succinimide complexes 2 and 3. We also showed that complex 1 arrested cell cycle in the sub‐G1 phase and induced apoptosis. We found that different properties of studied ruthenium complexes depend significantly on the type of imide ligand bind to the ruthenium atom. The density functional theory (DFT) calculation of maleimide and succinimide revealed some significant differences of these compounds that would be related to biological activity. Our results indicate that ruthenium complex 1 should be further investigated in detail for its anticancer properties.
Superior flame retardancy and smoke suppression of poly (vinyl chloride) composites with iron/tin‐doped bismuth oxychloride
Authors: Shi Huili , Li Zhiwei , Li Xiaohong , Zhang Zhijun
Published: February 2022

Doping is a simple and effective method to change material properties. In this work, in order to improve the flame retardant performance of bismuth oxychloride (BiOCl) nanosheets in poly (vinyl chloride) (PVC), for the first time, iron and tin ions were doped into BiOCl (Fe‐BiOCl and Sn‐BiOCl) via a doping approach, respectively. X‐ray diffraction and morphology characterization confirmed that the Fe and Sn ions were doped into the BiOCl lattices, respectively. After doping, PVC composites obtained superior flame retardancy and smoke suppression. With the adding amount of 3 wt% Fe‐BiOCl and Sn‐BiOCl, the UL‐94 test rating of the PVC composites reached V‐0, and the peak of heat release rate reduced by 38% and 34%, total smoke production decreased by 55% and 42%, respectively, compared to neat PVC. Thermogravimetric and Thermogravimetric‐Fourier Transform Infrared results showed that Fe or Sn doping could further reduce organic volatiles in the gas‐phase and improve char residual in the condensed phase, both of which contribute to reducing fire hazards. Tensile properties and tensile modulus of PVC composites increased. In short, it is an economically effective approach targeting to improve the comprehensive properties of PVC through doping Fe or Sn into BiOCl.
A Compilation of Synthetic Strategies to Access the Most Utilized Indoloquinoline Motifs
Authors: Thongsornkleeb Charnsak , Tummatorn Jumreang , Ruchirawat Somsak
Published: February 2022

Indoloquinoline alkaloids constitute an important class of aromatic heterocycles consisting of quinoline and indole fused together in various orientations. These compounds, both natural and synthetic, often display various bioactivities which have established them to be one of the interesting medicinal targets. This class of compounds have stimulated much interest among synthetic and medicinal chemists as evidenced by growth in the number of synthetic methods to prepare and study this class of alkaloids. This review compiles the synthetic strategies and methods currently known in the literature for the construction of four important indoloquinoline skeletons.
Evaluation of the Effects of Exposure to Power‐Frequency Magnetic Fields on the Differentiation of Hematopoietic Stem/Progenitor Cells Using Human‐Induced Pluripotent Stem Cells
Authors: Takahashi Masayuki , Furuya Naoko
Published: February 2022

The causal association between exposure to power‐frequency magnetic fields (MFs) and childhood leukemia has been under discussion. Although evidence from experimental studies is required for a conclusion to be reached, only a few studies have focused on the effects of MF exposure on the human hematopoietic system directly related to leukemogenesis. Here, we established an in vitro protocol to simulate the differentiation of human mesodermal cells to hematopoietic stem progenitor cells (HSPCs) using human‐induced pluripotent stem cells. Furthermore, we introduced MF in the protocol to study the effects of exposure. After a continuous exposure to 0–300 mT of 50‐Hz MFs during the differentiation process, the efficiency of differentiation of mesodermal cells into HSPCs was analyzed in a single‐blinded manner. The percentage of emerged HSPCs from mesodermal cells in groups exposed to 50‐Hz MFs indicated a lack of significant changes compared with those in the sham‐exposed group. These results suggest that exposure to 50‐Hz MFs up to 300 mT does not affect the differentiation of human mesodermal cells to HSPCs, which may be involved in the initial process of leukemogenesis. © 2022 The Authors. Bioelectromagnetics published by Wiley Periodicals LLC on behalf of Bioelectromagnetics Society.
The effects of a group‐deposit prize draw on the step counts of sedentary and low active adults
Authors: McCurdy Alex J. , Normand Matthew P.
Published: February 2022

Approximately 78% of American adults do not engage in enough physical activity, which is problematic because physical activity is positively correlated with beneficial health outcomes. Contingency management (CM) interventions have been shown to produce clinically significant behavior change across a range of target behaviors and populations, including physical activity. Both prize‐based and deposit‐contract CM interventions work well and decrease the costs associated with intervention, but they can decrease the magnitude of potential payouts. The current study used a prize‐based CM intervention combined with a deposit contract in which each participant deposited money that was pooled in the prize system for all participants. This increased the potential magnitude of reinforcement while keeping costs low for each participant. Four obese and two healthy weight adults participated in the CM intervention, which was introduced according to a single‐case reversal design. Overall, participants took more steps during intervention than during baseline, with four participants regularly taking 10,000 or more steps during intervention.
Spectroscopic and theoretical studies of jet‐cooled 3‐cyanoindole ammonia clusters in the gas phase
Authors: Min Ahreum , Kim Jiwon , Moon Cheol Joo , Ahn Ahreum , Park Juhyeon , Choi Myong Yong
Published: February 2022

The structural information of 3‐cyanoindole ammonia cluster, 3CI(NH3)1, in molecular beams was investigated in the gas phase. We obtained UV–UV hole‐burning spectrum (UV–UV HB) to determine the number of conformers present in the molecular beams and examine their spectral features. As a result, single conformer of 3CI(NH3)1 was observed in the mass‐selected one‐color resonant two‐photon ionization (1C‐R2PI) spectroscopy. The origin band of 3CI(NH3)1 in the R2PI spectrum is redshifted by 122 and 71 cm−1 compared to those of the 3CI monomer and 3CI 1:1 water cluster, 3CI(H2O)1, respectively. The fully optimized geometries, relative energies, transition energies, binding energies, and electrostatic potential (ESP) of the 3CI monomer, 3CI(H2O)1, and 3CI(NH3)1 clusters were calculated at the B3LYP and TD‐B3LYP methods with the 6‐311++(d,p) basis set. The observed spectra are compared with the predictions of time‐dependent density functional theory calculations.
The α/β Hydrolase AzpM Catalyzes Dipeptide Synthesis in Alazopeptin Biosynthesis Using Two Molecules of Carrier Protein‐Tethered Amino Acid
Authors: Kawai Seiji , Katsuyama Yohei , Ohnishi Yasuo
Published: February 2022

During the biosynthesis of alazopeptin, a tripeptide composed of two molecules of 6‐diazo‐5‐oxo‐L‐norleucine (DON) and one of alanine, the α/β hydrolase AzpM synthesizes the DON‐DON dipeptide using DON tethered to the carrier protein AzpF (DON‐AzpF). However, whether AzpM catalyzes the condensation of DON‐AzpF with DON or DON‐AzpF remains unclear. Here, to distinguish between these two condensation possibilities, the reaction catalyzed by AzpM was examined in vitro using a DON analogue, azaserine (AZS). We found that AzpM catalyzed the condensation between AZS‐AzpF and DON‐AzpF, but not between AZS‐AzpF and DON. Possible reaction intermediates, DON‐DON‐AzpF and AZS‐AZS‐AzpF, were also detected during AzpM‐catalyzed dipeptide formation from DON‐AzpF and AZS‐AzpF, respectively. From these results, we concluded that AzpM catalyzed the condensation of the two molecules of DON‐AzpF and subsequent hydrolysis to produce DON‐DON. Thus, AzpM is an unprecedented α/β hydrolase that catalyzes dipeptide synthesis from two molecules of a carrier protein‐tethered amino acid.
Ene‐Reductase: A Multifaceted Biocatalyst in Organic Synthesis
Authors: Kumar Roy Triptesh , Sreedharan Ramdas , Ghosh Pintu , Gandhi Thirumanavelan , Maiti Debabrata
Published: February 2022

Biocatalysis integrate microbiologists, enzymologists, and organic chemists to access the repertoire of pharmaceutical and agrochemicals with high chemoselectivity, regioselectivity, and enantioselectivity. The saturation of carbon‐carbon double bonds by biocatalysts challenges the conventional chemical methodology as it bypasses the use of precious metals (in combination with chiral ligands and molecular hydrogen) or organocatalysts. In this line, Ene‐reductases (ERs) from the Old Yellow Enzymes (OYEs) family are found to be a prominent asymmetric biocatalyst that is increasingly used in academia and industries towards unparalleled stereoselective trans‐hydrogenations of activated C=C bonds. ERs gained prominence as they were used as individual catalysts, multi‐enzyme cascades, and in conjugation with chemical reagents (chemoenzymatic approach). Besides, ERs’ participation in the photoelectrochemical and radical‐mediated process helps to unlock many scopes outside traditional biocatalysis. These up‐and‐coming methodologies entice the enzymologists and chemists to explore, expand and harness the chemistries displayed by ERs for industrial settings. Herein, we reviewed the last five year's exploration of organic transformations using ERs.
Asymmetric Synthesis of Heterocyclic Chloroamines and Aziridines by Enantioselective Protonation of Catalytically Generated Enamines**
Authors: McLean Liam A. , Ashford Matthew W. , Fyfe James W. B. , Slawin Alexandra M. Z. , Leach Andrew G. , Watson Allan J. B.
Published: February 2022

We report a method for the synthesis of chiral vicinal chloroamines via asymmetric protonation of catalytically generated prochiral chloroenamines using chiral Brønsted acids. The process is highly enantioselective, with the origin of asymmetry and catalyst substituent effects elucidated by DFT calculations. We show the utility of the method as an approach to the synthesis of a broad range of heterocycle‐substituted aziridines by treatment of the chloroamines with base in a one‐pot process, as well as the utility of the process to allow access to vicinal diamines.
Determination of the Conversion and Efficiency for CO2 in an Atmospheric Pressure Microwave Plasma Torch
Authors: Wiegers Katharina , Schulz Andreas , Walker Matthias , Tovar Günter E. M.
Published: February 2022

In a 2.45 GHz plasma torch, carbon dioxide (CO2) has been converted into carbon monoxide (CO) and oxygen (O2) at atmospheric pressure. The conversion and the efficiency of the plasma have been determined using two independent measuring methods: mass spectrometry and Fourier transform infrared absorption spectroscopy. The conversion depends on the measurement position in the exhaust gas duct. The conversion values at the beginning of the exhaust gas duct are significantly higher (maximum conversion is 22 %) than in the thermalized state at the end of the duct. In the cold, thermalized state of the gas, the maximum conversion rate is 8 % at 1.5 eV molecule−1. The maximum efficiency of 25 % is achieved at approximatively 0.6 eV molecule−1 operating at a microwave power of 0.48 kW and a mass flow of 12 slm CO2.
Molecular ontology of the parabrachial nucleus
Authors: Karthik Samyukta , Huang Dake , Delgado Yaritza , Laing Justin J. , Peltekian Lila , Iverson Gabrielle N. , Grady Fillan , Miller Rebecca L. , McCann Corey M. , Fritzsch Bernd , Iskusnykh Igor Y. , Chizhikov Victor V. , Geerling Joel C.
Published: February 2022

Diverse neurons in the parabrachial nucleus (PB) communicate with widespread brain regions. Despite evidence linking them to a variety of homeostatic functions, it remains difficult to determine which PB neurons influence which functions because their subpopulations intermingle extensively. An improved framework for identifying these intermingled subpopulations would help advance our understanding of neural circuit functions linked to this region. Here, we present the foundation of a developmental‐genetic ontology that classifies PB neurons based on their intrinsic, molecular features. By combining transcription factor labeling with Cre fate‐mapping, we find that the PB is a blend of two, developmentally distinct macropopulations of glutamatergic neurons. Neurons in the first macropopulation express Lmx1b (and, to a lesser extent, Lmx1a) and are mutually exclusive with those in a second macropopulation, which derive from precursors expressing Atoh1. This second, Atoh1‐derived macropopulation includes many Foxp2‐expressing neurons, but Foxp2 also identifies a subset of Lmx1b‐expressing neurons in the Kölliker–Fuse nucleus (KF) and a population of GABAergic neurons ventrolateral to the PB (“caudal KF”). Immediately ventral to the PB, Phox2b‐expressing glutamatergic neurons (some coexpressing Lmx1b) occupy the KF, supratrigeminal nucleus, and reticular formation. We show that this molecular framework organizes subsidiary patterns of adult gene expression (including Satb2, Calca, Grp, and Pdyn) and predicts output projections to the amygdala (Lmx1b), hypothalamus (Atoh1), and hindbrain (Phox2b/Lmx1b). Using this molecular ontology to organize, interpret, and communicate PB‐related information could accelerate the translation of experimental findings from animal models to human patients.
Two‐Dimensional Dirac Nodal Line Carbon Nitride to Anchor Single‐Atom Catalyst for Oxygen Reduction Reaction
Authors: Li Feifei , Ai Haoqiang , Shen Shiying , Geng Jiazhong , Ho Lo Kin , Pan Hui
Published: February 2022

Two‐dimensional carbon nitride (2DCN) materials have emerged as an important class of 2D materials beyond graphene. However, 2DCN materials with nodal‐line semimetal characteristic are rarely reported. In this work, a new nodal‐line semimetal 2DCN with the stoichiometry C4N4 is designed by using density functional theory (DFT) calculations and its application to anchor single‐atom catalysts (SACs) for the oxygen reduction reaction (ORR) is investigated. C4N4 is a planar covalent network (sp2 hybridization) with regular holes formed by the four N atoms, which is dynamically, thermodynamically, and mechanically stable. The nodal line is contributed by the pz orbitals of C and px/y orbitals of N atoms. C4N4 shows an anisotropic Fermi velocity and high electron mobility. Because of its porous structure, C4N4 can anchor heteroatoms as SACs for electrocatalysis. C4N4 anchored with Fe or Co is shown to be highly active for the ORR with a rather high half‐wave potential of around 0.90 V, which is higher than those of SACs on other carbon nitrides. These findings may provide a new strategy to design novel substrates for SACs.
Nonlinear interaction of external perturbations in warm dense matter
Authors: Dornheim Tobias , Vorberger Jan , Moldabekov Zhandos A. , Bonitz Michael
Published: February 2022

We present extensive new ab initio path integral Monte Carlo (PIMC) results for an electron gas at warm dense matter conditions that is subject to multiple harmonic perturbations. In addition to the previously investigated nonlinear effects at the original wave number (Dornheim et al., Phys. Rev. Lett., 2020, 125, 085001) and the excitation of higher harmonics (Dornheim et al., Phys. Rev. Res., 2021, 3, 033231), the presence of multiple external potentials leads to mode‐coupling effects, which constitute the dominant nonlinear effect and lead to a substantially more complicated density response compared to linear response theory. One possibility to estimate mode‐coupling effects from a PIMC simulation of the unperturbed system is given in terms of generalized imaginary‐time correlation functions that have been recently introduced by Dornheim et al. (J. Chem. Phys., 2021, 155, 054110). In addition, we extend our previous analytical theory of the nonlinear density response of the electron gas in terms of the static local field correction (Dornheim et al., 2020, Phys. Rev. Lett., 125, 235001), which allows for a highly accurate description of the PIMC results with negligible computational cost.
Caching scheme for information‐centric networks with balanced content distribution
Authors: Dutta Nitul , Patel Shobhit K. , Faragallah Osama S. , Baz Mohammed , Rashed Ahmed Nabih Zaki
Published: February 2022

Information‐centric network (ICN) emphasizes on content retrieval without much bothering about the location of its actual producer. This novel networking paradigm makes content retrieval faster and less expensive by shifting data provisioning into content holder rather than content owner. Caching is the feature of ICN that makes content serving possible from any intermediate device. An efficient caching is one of the primary requirements for effective deployment of ICN. In this paper, a caching approach with balanced content distribution among network devices is proposed. The selection of contents to be cached is determined through universal and computed using Zipf's law. The dynamic change in popularity of contents is also considered to take make caching decisions. For balancing the cached content across the network, every router keeps track of its neighbor's cache status. Three parameters, the proportionate distance of the router from the client (pd), the router congestion (rc), and the cache status (cs), are contemplated to select a router for caching contents. The new caching approach is evaluated in the simulated environment using ndnSIM‐2.0. Three state‐of‐the‐art approaches, Leave Copy Everywhere (LCE), centrality measures‐based algorithm (CMBA), and a probability‐based caching (probCache), are considered for comparison. The proposed method of caching shows the better performance compared to the other three protocols used in the comparison.
Stroop performance is related to reading profiles in Hebrew‐speaking individuals with dyslexia and typical readers
Authors: Abo‐elhija Donia , Farah Rola , Horowitz‐Kraus Tzipi
Published: February 2022

There is a debate in the literature regarding the level of contribution of executive functions (EF) to reading comprehension (RC), in the context of the simple view of reading (SVR) model. The current study aims to create sub‐profiles of reading and cognitive abilities based on a measure traditionally used for evaluating EF, that is, the Stroop task, and specifically, Stroop time. Ninety‐seven adults with and without reading difficulties performed reading and cognitive tasks, including the Stroop tests. Four groups were created based on Stroop performance time and a reading profile was created for each group. A mediation analysis was conducted to determine if reading accuracy and linguistic abilities predict RC mediated by Stroop time. Participants with a shorter Stroop time demonstrated better reading abilities, whereas those with longer Stroop time showed decreased reading performance. Stroop time was also negatively associated with better performance in additional cognitive abilities. A mediation analysis suggested that decoding ability and linguistic ability predict RC through EF. Our findings support the SVR model and the involvement of EF in reading proficiency and might be used for designing EF‐based interventions for reading and RC difficulties.
Small inaccuracies in estimating narrow sapwood depth produce large error in sap velocity corrections
Authors: Niu Junfeng , Xu Yao , Peng Yunhui , Chen Yinjie , Zhao Ping
Published: February 2022

Clearwater corrections were proposed to deal with the situation that part of the heat dissipation (HD) or Granier probes was in contact with the non‐conducting xylem or heartwood in trees with shallow sapwood depth (<20 mm) (Ds). To perform these corrections requires an accurate determination of the Ds. However, in practice, it is often error‐prone to distinguish the sapwood from heartwood. This error may transmit into and potentially bias the Clearwater corrections. In the present study, we quantitatively analysed the responses of Clearwater corrections to assumed Ds error of up to a 2 mm range for two evergreen tree species: Eucalyptus citriodora and Acacia auriculiformis. We found that the corrected sap flux density (Js) was substantially affected by Ds inaccuracies. Underestimation of Ds led to overestimation of Js, and Js was underestimated more when Ds was overestimated of the equal magnitude. Relative error in Js increased quadratically with Ds error. By contrast, the responses of relative Js error to varying Js and Ds could be fitted by linear models. Decreasing Ds as well as increasing Js jointly increased the relative error in Js up to ~50%. This study provides convenient references for assessing the impact of Ds error on Js corrections, contributing to more reliable water consumption evaluations for trees and forest stands.
Evaluating bioinformatics pipelines for population‐level inference using environmental DNA
Authors: Macé Bastien , Hocdé Régis , Marques Virginie , Guerin Pierre‐Edouard , Valentini Alice , Arnal Véronique , Pellissier Loïc , Manel Stéphanie
Published: February 2022

Environmental DNA is mainly not only used at the interspecific level, to quantify species diversity in ecosystems, but can also be used to quantify intraspecific genetic variability, thus avoiding the need to sample individual tissue. However, errors in the amplification and sequencing of eDNA samples can blur this intraspecific signal and strongly over‐estimate genetic diversity. Existing bioinformatics pipelines therefore need to be tested to evaluate whether reliable levels of intraspecific genetic variability can be derived from eDNA samples. Here, we compare the ability of twelve metabarcoding pipelines to detect intraspecific genetic variability combining five programs. All pipelines have common pre‐processing steps, a processing data step using programs among obiclean; DADA2; SWARM; and LULU. An additional chimera removal step is also investigated based on two programs (VSEARCH or DADA2). The case study was the natural intraspecific variation within Mullus surmuletus in experimental settings. We developed specific primers for this species, located on the mitochondrial D‐loop fragment (barcode MS‐DL06). Thirty‐nine individuals were collected from the Mediterranean Sea, placed into four aquariums, and their DNA was sequenced on this marker to build an intraspecific reference database. After filtering the aquarium water, DNA was extracted, amplified, and sequenced using the primer pair developed. We then quantified the number of true haplotypes returned by each pipeline and its capacity to eliminate most of the erroneous sequences. We show that the program DADA2 with a two‐parent chimeric sequence removal step is the best tool to estimate intraspecific diversity from eDNA. Furthermore, our approach was also able to detect true M. surmuletus haplotypes in two eDNA samples collected in the Mediterranean Sea. We conclude that the combination of an appropriate intrapopulation barcode and a denoising pipeline like DADA2 with a chimeric sequence removal step is promising to make population‐level inference using environmental DNA possible.
Monolithically Integrated Sensing, Communication, and Energy Harvester
Authors: Jia Bolun , Gao Xumin , Ye Ziqi , Liu Pengzhan , Hu Fangren , Zhu Hongbo , Wang Yongjin
Published: February 2022

Both energy and information are different manifestations of light. Using light to offer the coexistence of sensing, communication, and energy harvesting functionalities, monolithically integrated III‐nitride diode system toward the Internet of Things is dealt with. The III‐nitride receiver is capable to convert optical signals into electronic ones and forward them to the transmitter. The energy harvester generates electricity from light to turn on the transmitter, which, in turn, can transmit information optically to other proximally located devices for analysis or relay the data over longer distances. This monolithic III‐nitride optoelectronic system can simultaneously achieve wireless energy harvesting and communication through light. The truly self‐powered, integrated III‐nitride system is a paradigm change where the previously competing sensing, communication, and energy harvesting operations can be jointly implemented on a single chip.
Unimanual sensorimotor learning—A simultaneous EEG‐fMRI aging study
Authors: Chettouf Sabrina , Triebkorn Paul , Daffertshofer Andreas , Ritter Petra
Published: February 2022

Sensorimotor coordination requires orchestrated network activity in the brain, mediated by inter‐ and intra‐hemispheric interactions that may be affected by aging‐related changes. We adopted a theoretical model, according to which intra‐hemispheric inhibition from premotor to primary motor cortex is mandatory to compensate for inter‐hemispheric excitation through the corpus callosum. To test this as a function of age we acquired electroencephalography (EEG) simultaneously with functional magnetic resonance imaging (fMRI) in two groups of healthy adults (younger N = 13: 20–25 year and older N = 14: 59–70 year) while learning a unimanual motor task. On average, quality of performance of older participants stayed significantly below that of the younger ones. Accompanying decreases in motor‐event‐related EEG β‐activity were lateralized toward contralateral motor regions, albeit more so in younger participants. In this younger group, the mean β‐power during motor task execution was significantly higher in bilateral premotor areas compared to the older adults. In both groups, fMRI blood oxygen level dependent (BOLD) signals were positively correlated with source‐reconstructed β‐amplitudes: positive in primary motor and negative in premotor cortex. This suggests that β‐amplitude modulation is associated with primary motor cortex “activation” (positive BOLD response) and premotor “deactivation” (negative BOLD response). Although the latter results did not discriminate between age groups, they underscore that enhanced modulation in primary motor cortex may be explained by a β‐associated excitatory crosstalk between hemispheres.
Transcriptomic Analysis Reveals the Messenger RNAs Responsible for the Progression of Alcoholic Cirrhosis
Authors: Yang Zhihong , Han Sen , Zhang Ting , Kusumanchi Praveen , Huda Nazmul , Tyler Kelsey , Chandler Kristina , Skill Nicholas J. , Tu Wanzhu , Shan Mu , Jiang Yanchao , Maiers Jessica L. , Perez Kristina , Ma Jing , Liangpunsakul Suthat
Published: February 2022

Alcohol‐associated liver disease is the leading cause of chronic liver disease. We hypothesized that the expression of specific coding genes is critical for the progression of alcoholic cirrhosis (AC) from compensated to decompensated states. For the discovery phase, we performed RNA sequencing analysis of 16 peripheral blood RNA samples, 4 healthy controls (HCs) and 12 patients with AC. The DEGs from the discovery cohort were validated by quantitative polymerase chain reaction in a separate cohort of 17 HCs and 48 patients with AC (17 Child‐Pugh A, 16 Child‐Pugh B, and 15 Child‐Pugh C). We observed that the numbers of differentially expressed messenger RNAs (mRNAs) were more pronounced with worsening disease severity. Pathway analysis for differentially expressed genes for patients with Child‐Pugh A demonstrated genes involved innate immune responses; those in Child‐Pugh B belonged to genes related to oxidation and alternative splicing; those in Child‐Pugh C related to methylation, acetylation, and alternative splicing. We found significant differences in the expression of heme oxygenase 1 (HMOX1) and ribonucleoprotein, PTB binding 1 (RAVER1) in peripheral blood of those who died during the follow‐up when compared to those who survived. Conclusion: Unique mRNAs that may implicate disease progression in patients with AC were identified by using a transcriptomic approach. Future studies to confirm our results are needed, and comprehensive mechanistic studies on the implications of these genes in AC pathogenesis and progression should be further explored.
A computational comparative analysis of the binding mechanism of molnupiravir's active metabolite to RNA‐dependent RNA polymerase of wild‐type and Delta subvariant AY.4 of SARS‐CoV‐2
Authors: Celik Ismail , Tallei Trina E.
Published: February 2022

The antiviral drug molnupiravir targets the SARS‐CoV‐2 RNA‐dependent RNA polymerase (RdRP) enzyme. Early treatment with molnupiravir reduced the risk of hospitalization or death in at‐risk, unvaccinated adults with COVID‐19, according to phase 3 clinical trials. Many mutations have occurred within this virus as a result of its widespread distribution. The current study sought to determine whether mutations in the RdRP of Delta subvariant AY.4 (D‐AY.4 RdRP) influence the interaction of the enzyme with molnupiravir triphosphate (MTP), the active metabolite of molnupiravir. The interactions between the wild‐type (WT) RdRP and D‐AY.4 RdRP with MTP were evaluated based on molecular docking and dynamic simulation (MD) studies. The results show that the MTP interaction is stronger and more stable with D‐AY.4 RdRP than with WT RdRP. This study provides insight into the potential significance of administering MTP to patients infected with D‐AY.4 RdRP, which may have a more favorable chance of alleviating the illness. According to the findings of this study, MTP has a high likelihood of becoming widely used as an anti‐SARS‐CoV‐2 agent. The fact that MTP is not only cytotoxic but also mutagenic to mammalian cells, as well as the possibility that it may cause DNA damage in the host, have all been raised as potential concerns.
Histidine‐enhanced gene delivery systems: The state of the art
Authors: Hooshmand Seyyed Emad , Jahanpeimay Sabet Makkieh , Hasanzadeh Akbar , Kamrani Mousavi Seyede Mahtab , Haeri Moghaddam Niloofar , Hooshmand Seyed Aghil , Rabiee Navid , Liu Yong , Hamblin Michael R. , Karimi Mahdi
Published: February 2022

Gene therapy has emerged as a promising tool for treating different intractable diseases, particularly cancer or even viral diseases such as COVID‐19 (coronavirus disease 2019). In this context, various non‐viral gene carriers are being explored to transfer DNA or RNA sequences into target cells. Here, we review the applications of the naturally occurring amino acid histidine in the delivery of nucleic acids into cells. The biocompatibility of histidine‐enhanced gene delivery systems has encouraged their wider use in gene therapy. Histidine‐based gene carriers can involve the modification of peptides, dendrimers, lipids or nanocomposites. Several linear polymers, such as polyethylenimine, poly‐l‐lysine (synthetic) or dextran and chitosan (natural), have been conjugated with histidine residues to form complexes with nucleic acids for intracellular delivery. The challenges, opportunities and future research trends of histidine‐based gene deliveries are investigated.
Acute chest syndrome and COVID‐19 in hydroxyurea naïve sickle cell disease patient in a low resource setting
Authors: Mawalla William Frank , Nasser Ahlam , Jingu James Salumu , Joseph Happiness , Mmbaga Lilian Gasper , Shija Eunice , Kakumbula Helena , Lubuva Neema Budodi , Meda Collins , Chamba Clara
Published: February 2022

Acute chest syndrome (ACS) is a severe complication of sickle cell disease (SCD) and one of the leading causes of mortality in SCD patients. The management of ACS is challenging and requires prompt intervention to halt clinical deterioration. With the outbreak of the Coronavirus Disease 2019 (COVID‐19) pandemic, which also primarily results in acute respiratory illness, the clinical picture and treatment outcome in SCD patients with ACS remain unknown. We present a case of a 30‐year‐old male who came in with features of painful vaso‐occlusive episode and haemolysis that later evolved to acute chest syndrome. Chest X‐ray showed pneumonic changes and mild bilateral pleural effusion, and nasal Reverse Transcription‐Polymerase Chain Reaction (RT‐PCR) for COVID‐19 test came out positive. He was managed supportively with simple transfusion, antibiotics, dexamethasone and oxygen support with a good clinical outcome. Presenting with non‐specific symptoms and similar respiratory symptoms and signs, the clinical picture of COVID‐19 can prove difficult to discern from that of ACS due to other causes. This report emphasizes a need for a higher index of suspicion whenever a SCD patient presents with symptoms of acute respiratory distress.
Computational Analysis of the Droplet‐Stimulated Laryngeal Adductor Reflex in High‐Speed Sequences
Authors: Fast Jacob Friedemann , Oltmann Andra , Spindeldreier Svenja , Ptok Martin
Published: February 2022

Objectives/Hypothesis

The laryngeal adductor reflex (LAR) is an important protective mechanism of the airways. Its physiology is still not completely understood. The available methods for LAR evaluation offer limited reproducibility and/or rely on subjective interpretation. A new approach, termed Microdroplet Impulse Testing of the LAR (MIT‐LAR), was recently introduced. Here, the LAR is elicited by a droplet and a laryngoscopic high‐speed recording is acquired simultaneously. In the present work, image‐processing algorithms for autonomous MIT‐LAR sequence analysis were developed. This allowed the automated approximation of kinematic LAR parameters in humans.

Study Design

Development and testing of computational methods.

Methods

Computational image processing enabled the autonomous estimation of the glottal area, the glottal angle, and the vocal fold edge distance in MIT‐LAR sequences. A suitable analytical representation of these glottal parameters allowed the extraction of seven relevant LAR parameters. The obtained values were compared to the literature.

Results

A generalized logistic function showed the highest average goodness of fit among four different analytical approaches for each of the glottal parameters. Autonomous sequence analysis yielded bilateral LAR response latencies of (229 ± 116) ms and (182 ± 60) ms for cases of complete and incomplete glottal closure, respectively. The initial/average/maximum angular vocal fold adduction velocity was estimated at (157 ± 115) °s−1/(891 ± 516) °s−1/(929 ±  583) °s−1 and (88 ± 53) °s−1/(421 ± 221) °s−1/(520 ± 238) °s−1 for complete and incomplete glottal closure, respectively.

Conclusion

The automated extraction of LAR parameters from laryngoscopic high‐speed sequences can potentially increase the objectiveness of optical LAR characterization and reduce the associated workload. The proposed methods may thus be helpful for future research on this vital reflex.

Level of Evidence

NA Laryngoscope, 132:2412–2419, 2022
Oxidation at 1250°C of {Cr, Ta}‐rich carbides‐strengthened {Ni, Co}‐based alloys
Authors: Berthod Patrice , Gomis Jean‐Paul , Aranda Lionel , Schweitzer Thierry
Published: February 2022

Thermogravimetry tests were performed for 70 h at 1250°C in the air for six TaC‐strengthened alloys with different values of the Ni/Co ratio. The oxidation and chromia volatilization rates were specified, and the formed oxides were characterized. Metallographic observations show that the alloys rich in Ni (from ≈70 to ≈25 wt.% Ni) stayed chromia‐forming until the end of the 70 h. In contrast, catastrophic oxidation locally started in the case of the Co‐based alloys, which are too poor in Ni. The numerical exploitation of the mass gain files was done taking into account the mass loss induced by the chromia volatilization phenomenon. Results clearly showed a regular increase in oxidation parabolic constant when Ni is more and more replaced by Co.
In situ growth process and corrosion resistance of a layered double‐hydroxide film on an LA103Z magnesium–lithium alloy
Authors: Zhang Jumei , Duan Xin , Hou Anrong , Li Jiacheng , Lian Duoduo , Zhang Mengchun , Wang Bo
Published: February 2022

A layered double‐hydroxide (Mg–Al LDH) film was grown in situ on an LA103Z magnesium alloy in an aluminum nitrate solution at 90°C by adjusting the hydrothermal reaction time. The Mg–Al LDH film comprised Mg–Al LDH and Mg(OH)2, which was obtained after hydrothermal treatment for 24 h, and was thick and dense, with a uniform and compact LDH sheet growing perpendicular to the surface. The LDH sheet showed the best corrosion resistance, and both the Rp and icorr values were two orders of magnitude higher than those of the LA103Z substrate. Nevertheless, the corrosion resistances of the LDH films obtained after treatment for 12 and 30 h were poor owing to the small film thickness and the loose film structure, respectively. Therefore, an appropriate extension of the hydrothermal reaction time can promote the nucleation and growth of LDH and improve the corrosion resistance of the film. When the hydrothermal reaction time exceeded 24 h, the LDH began to dissolve, and the corrosion resistance of the film decreased.
Adaptive Management in Practice and the Problem of Application at Multiple Scales—Insights from Oyster Reef Restoration on Florida’s Gulf Coast
Authors: Pine W. E. , Johnson F. A. , Frederick P. C. , Coggins L. G.
Published: February 2022

Adaptive management has been adopted as the standard approach to inform the multi-billion-dollar post-Deepwater Horizon coastal restoration programs in the Gulf of Mexico. An adaptive management process can help restoration projects at multiple spatial scales—from local shorelines to entire ecosystems—by identifying critical uncertainties and guiding restoration actions away from trial and error and toward an evidence-based approach. Based on our experiences, we identify challenges that must be overcome in developing large-scale adaptive management in the Gulf of Mexico. We demonstrate how the likelihood of restoration success for eastern oyster Crassostrea virginica and other resources could increase through (1) better matching monitoring efforts and funding with on-the-ground restoration efforts and (2) coordinating similar research projects at multiple scales to share challenges, solutions, and knowledge by creating spatially and temporally replicated restoration projects to identify best restoration practices. We agree with recent U.S. National Academy of Science assessments that adaptive management offers the best framework to guide restoration in the Gulf of Mexico, but we challenge practitioners, policymakers, and managers to recognize the need for strong leadership to implement this framework as originally proposed (but rarely practiced), so that opportunities for learning are not lost.
Double vascularized fibula growth plate transfer for the reconstruction of long segmental tibia in pediatric patients: Report of three cases
Authors: Ozols Dzintars , Protasa Jana , Bergmanis Uldis , Berezovska Marisa Maija , Kalnina Linda , Ozola Santa , Petersons Aigars
Published: February 2022

Osteosarcoma is a common bone tumor for pediatric patients that has a complex treatment including chemotherapy and radical surgical resection. There are few functional leg reconstruction possibilities described in the literature for pediatric patients due to limited growth potential. The aim of this report is to show long‐term results using double vascularized growth plate flaps for the long segmental tibial reconstruction in growing children with satisfactory functionality and preserved limb growth without the use of permanent foreign materials. Three patients with sarcoma in the proximal part of the tibial bone were treated with complex therapy that included preoperative chemotherapy, radical resection of proximal metaepiphysis with tibial growth plate and half of the diaphysis and transplantation of double fibula growth plate flaps—the pedicled ipsilateral and the contralateral as a microvascular flap. The first patient, a male, 13 year with periosteal sarcoma, underwent 17 cm tibial resection with transplantation of the ipsilateral fibula 20 cm and contralateral fibula 20.1 cm, and continued follow‐up for 6 years. The second patient, a male, 6 years of age with osteosarcoma, had 14 cm tibial resection with 16 cm ipsilateral and 16.1 cm contralateral fibular transplantation, continued follow‐up for 5 years. The third patient, a female, 12 years of age with osteosarcoma, underwent 14 cm tibial resection with 15.4 cm ipsilateral and 15.9 cm contralateral fibular transplantation, and current follow‐up of 1 year. Double fibular growth plate transfer is limb‐sparing method for a proximal tibial reconstruction with natural growth potential for the pediatric patients.
Highly stable mixed halide perovskite quantum dots synthesized in the presence of fluorous ligands
Authors: Choi Sinil , Kim Gyeong‐Ju , Ko Yun‐Hyuk , Lee Ji‐Eun , Lee Seung‐Jae , Zheng Xiangming , Hong Sujin , Park Jea‐Gun , Lee Kwang‐Sup , Prabhakaran Prem
Published: February 2022

This work probes the potential of fluorous fatty acids as stabilizing ligands in the synthesis of mixed halide perovskite quantum dots (MHP QDs). Traditionally, MHP QDs are synthesized in the presence of oleic acid (OA) and oleyl amine (OAm). Here fluorous fatty acids have been used along with OA and OAm to yield MHP QDs with higher stability. Increased fractions of fluorous molecules in reaction mixture require the process to be carried out at a higher temperature due to the distinctive temperature‐dependent mixing behavior of perfluorinated ligands. Best of fluorous acid functionalized QDs in solution showed a 9% decrease in their photoluminescence quantum yield (PLQY) over 30 days compared to 27% in those without. The composition of fluorous fatty acids during synthesis influences the size, form and optical properties of MHP QDs. Further in situ addition of non‐carboxylic acid fluorous ligands (thiols) are also shown to the give similar improvements in stability and optical properties of MHP QDs. The in situ fluorous ligand functionalization studied in this work presents a new method to improve the stability of MHP‐QD while providing a thermally controlled handle to tune the structure of nanoparticle films.
Evolution process and stabilization mechanism of different gas nanobubbles based on improved statistical analysis
Authors: Kuang Yangmin , Feng Yu , Dong Hongsheng , Yang Lei , Zheng Yanpeng
Published: February 2022

Nanobubbles (NBs) have attracted increasing attention due to their unique physicochemical characteristics and enormous potential industrial applications in the biology, environment, medicine, and many other fields. A complete understanding of the underlying stability mechanism of NBs is an essential requirement for their research, development, and industrial applications. In this study, a facile and reliable approach to generating different gas NBs using a porous ceramic membrane is reported. In addition, an improved method of statistical analysis to predict NB size distribution is proposed. The results indicated that the gas NBs presented a log‐normal distribution due to an underlying Ostwald ripening process. The concentration of NBs in solution was controlled by the gas type owing to different magnitude of molecular polarizability of dissolved gases. The mean size of the NB was inversely proportional to the surface charge density. Moreover, the NB stability lies in a special state at the bubble interface, not only because the presence of surface charges hinders collisions between bubbles, but also because the degree of gas supersaturation of molecules around bubbles resulting in gas exchange has a certain stabilizing effect, and also controls the evolution of particle size distribution (PSD) for different bulk NBs.