bluuebunny/crossref_metadata_2025 huggingface dataset:
Long COVID in a prospective cohort of home-isolated patients
Authors: Blomberg Bjørn , Mohn Kristin Greve-Isdahl , Brokstad Karl Albert , Zhou Fan , Linchausen Dagrun Waag , Hansen Bent-Are , Lartey Sarah , Onyango Therese Bredholt , Kuwelker Kanika , Sævik Marianne , Bartsch Hauke , Tøndel Camilla , Kittang Bård Reiakvam ,   Bergen COVID-19 Research Group, Madsen Anders , Bredholt Geir , Vahokoski Juha , Fjelltveit Elisabeth Berg , Bansal Amit , Trieu Mai Chi , Ljostveit Sonja , Olofsson Jan Stefan , Ertesvåg Nina , Sandnes Helene Heitmann , Corydon Anette , Søyland Hanne , Eidsheim Marianne , Jakobsen Kjerstin , Guldseth Nina , Hauge Synnøve , Cox Rebecca Jane , Langeland Nina
Published: June 2021

Long-term complications after coronavirus disease 2019 (COVID-19) are common in hospitalized patients, but the spectrum of symptoms in milder cases needs further investigation. We conducted a long-term follow-up in a prospective cohort study of 312 patients—247 home-isolated and 65 hospitalized—comprising 82% of total cases in Bergen during the first pandemic wave in Norway. At 6 months, 61% (189/312) of all patients had persistent symptoms, which were independently associated with severity of initial illness, increased convalescent antibody titers and pre-existing chronic lung disease. We found that 52% (32/61) of home-isolated young adults, aged 16–30 years, had symptoms at 6 months, including loss of taste and/or smell (28%, 17/61), fatigue (21%, 13/61), dyspnea (13%, 8/61), impaired concentration (13%, 8/61) and memory problems (11%, 7/61). Our findings that young, home-isolated adults with mild COVID-19 are at risk of long-lasting dyspnea and cognitive symptoms highlight the importance of infection control measures, such as vaccination.
Thermal stability and diffusion characteristics of ultrathin amorphous carbon films grown on crystalline and nitrogenated silicon substrates by filtered cathodic vacuum arc deposition
Authors: Wang Shengxi , Roy Anurag , Komvopoulos Kyriakos
Published: June 2021

Amorphous carbon (a-C) films are widely used as protective overcoats in many technology sectors, principally due to their excellent thermophysical properties and chemical inertness. The growth and thermal stability of sub-5-nm-thick a-C films synthesized by filtered cathodic vacuum arc on pure (crystalline) and nitrogenated (amorphous) silicon substrate surfaces were investigated in this study. Samples of a-C/Si and a-C/SiNx/Si stacks were thermally annealed for various durations and subsequently characterized by high-resolution transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). The TEM images confirmed the continuity and uniformity of the a-C films and the 5-nm-thick SiNx underlayer formed by silicon nitrogenation using radio-frequency sputtering. The EELS analysis of cross-sectional samples revealed the thermal stability of the a-C films and the efficacy of the SiNx underlayer to prevent carbon migration into the silicon substrate, even after prolonged heating. The obtained results provide insight into the important attributes of an underlayer in heated multilayered media for preventing elemental intermixing with the substrate, while preserving the structural stability of the a-C film at the stack surface. An important contribution of this investigation is the establishment of an experimental framework for accurately assessing the thermal stability and elemental diffusion in layered microstructures exposed to elevated temperatures.
Multi-institutional retrospective analysis of ultrahypofractionated radiotherapy for Japanese prostate cancer patients
Authors: Ishiyama Hiromichi , Tsumura Hideyasu , Nagano Hisato , Watanabe Motoi , Mizuno Eiichi , Taka Masashi , Kobayashi Hiroaki , Eriguchi Takahisa , Imada Hajime , Inaba Koji , Nakamura Katsumasa
Published: June 2021

To report outcomes and risk factors of ultrahypofractionated (UHF) radiotherapy for Japanese prostate cancer patients. This multi-institutional retrospective analysis comprised 259 patients with localized prostate cancer from 6 hospitals. A total dose of 35–36 Gy in 4–5 fractions was prescribed for sequential or alternate-day administration. Biochemical failure was defined according to the Phoenix ASTRO consensus. Toxicities were assessed using National Cancer Institute Common Toxicity Criteria version 4. Tumor control and toxicity rates were analyzed by competing risk frames. Median follow-up duration was 32 months (range 22–97 months). 2- and 3-year biochemical control rates were 97.7% and 96.4%, respectively. Initial prostate-specific antigen (p < 0.01) and neoadjuvant androgen deprivation therapy (p < 0.05) were identified as risk factors for biochemical recurrence. 2- and 3-year cumulative ≥ Grade 2 late genitourinary (GU) toxicities were 5.8% and 7.4%, respectively. Corresponding rates of gastrointestinal (GI) toxicities were 3.9% and 4.5%, respectively. Grade 3 rates were lower than 1% for both GU and GI toxicities. No grade 4 or higher toxicities were encountered. Biologically effective dose was identified as a risk factor for ≥ Grade 2 late GU and GI toxicities (p < 0.05). UHF radiotherapy offered effective, safe treatment for Japanese prostate cancer with short-term follow-up. Our result suggest higher prescribed doses are related to higher toxicity rates.
The place of millet in food globalization during Late Prehistory as evidenced by new bioarchaeological data from the Caucasus
Authors: Martin Lucie , Messager Erwan , Bedianashvili Giorgi , Rusishvili Nana , Lebedeva Elena , Longford Catherine , Hovsepyan Roman , Bitadze Liana , Chkadua Marine , Vanishvili Nikoloz , Le Mort Françoise , Kakhiani Kakha , Abramishvili Mikheil , Gogochuri Giorgi , Murvanidze Bidzina , Giunashvili Gela , Licheli Vakhtang , Salavert Aurélie , Andre Guy , Herrscher Estelle
Published: June 2021

Two millets, Panicum miliaceum and Setaria italica, were domesticated in northern China, around 6000 BC. Although its oldest evidence is in Asia, possible independent domestication of these species in the Caucasus has often been proposed. To verify this hypothesis, a multiproxy research program (Orimil) was designed to detect the first evidence of millet in this region. It included a critical review of the occurrence of archaeological millet in the Caucasus, up to Antiquity; isotopic analyses of human and animal bones and charred grains; and radiocarbon dating of millet grains from archaeological contexts dated from the Early Bronze Age (3500–2500 BC) to the 1st Century BC. The results show that these two cereals were cultivated during the Middle Bronze Age (MBA), around 2000–1800 BC, especially Setaria italica which is the most ancient millet found in Georgia. Isotopic analyses also show a significant enrichment in 13C in human and animal tissues, indicating an increasing C4 plants consumption at the same period. More broadly, our results assert that millet was not present in the Caucasus in the Neolithic period. Its arrival in the region, based on existing data in Eurasia, was from the south, without excluding a possible local domestication of Setaria italica.
Reduced dose of PTCy followed by adjuvant α-galactosylceramide enhances GVL effect without sacrificing GVHD suppression
Authors: Nakamura Makoto , Meguri Yusuke , Ikegawa Shuntaro , Kondo Takumi , Sumii Yuichi , Fukumi Takuya , Iwamoto Miki , Sando Yasuhisa , Sugiura Hiroyuki , Asada Noboru , Ennishi Daisuke , Tomida Shuta , Fukuda-Kawaguchi Emi , Ishii Yasuyuki , Maeda Yoshinobu , Matsuoka Ken-ichi
Published: June 2021

Posttransplantation cyclophosphamide (PTCy) has become a popular option for haploidentical hematopoietic stem cell transplantation (HSCT). However, personalized methods to adjust immune intensity after PTCy for each patient’s condition have not been well studied. Here, we investigated the effects of reducing the dose of PTCy followed by α-galactosylceramide (α-GC), a ligand of iNKT cells, on the reciprocal balance between graft-versus-host disease (GVHD) and the graft-versus-leukemia (GVL) effect. In a murine haploidentical HSCT model, insufficient GVHD prevention after reduced-dose PTCy was efficiently compensated for by multiple administrations of α-GC. The ligand treatment maintained the enhanced GVL effect after reduced-dose PTCy. Phenotypic analyses revealed that donor-derived B cells presented the ligand and induced preferential skewing to the NKT2 phenotype rather than the NKT1 phenotype, which was followed by the early recovery of all T cell subsets, especially CD4+Foxp3+ regulatory T cells. These studies indicate that α-GC administration soon after reduced-dose PTCy restores GVHD-preventing activity and maintains the GVL effect, which is enhanced by reducing the dose of PTCy. Our results provide important information for the development of a novel strategy to optimize PTCy-based transplantation, particularly in patients with a potential relapse risk.
Identification of biological pathway and process regulators using sparse partial least squares and triple-gene mutual interaction
Authors: Hong Junyan , Gunasekara Chathura , He Cheng , Liu Sanzhen , Huang Jianqin , Wei Hairong
Published: June 2021

Identification of biological process- and pathway-specific regulators is essential for advancing our understanding of regulation and formation of various phenotypic and complex traits. In this study, we applied two methods, triple-gene mutual interaction (TGMI) and Sparse Partial Least Squares (SPLS), to identify the regulators of multiple metabolic pathways in Arabidopsis thaliana and Populus trichocarpa using high-throughput gene expression data. We analyzed four pathways: (1) lignin biosynthesis pathway in A. thaliana and P. trichocarpa; (2) flavanones, flavonol and anthocyannin biosynthesis in A. thaliana; (3) light reaction pathway and Calvin cycle in A. thaliana. (4) light reaction pathway alone in A. thaliana. The efficiencies of two methods were evaluated by examining the positive known regulators captured, the receiver operating characteristic (ROC) curves and the area under ROC curves (AUROC). Our results showed that TGMI is in general more efficient than SPLS in identifying true pathway regulators and ranks them to the top of candidate regulatory gene lists, but the two methods are to some degree complementary because they could identify some different pathway regulators. This study identified many regulators that potentially regulate the above pathways in plants and are valuable for genetic engineering of these pathways.
A microfluidic device enabling drug resistance analysis of leukemia cells via coupled dielectrophoretic detection and impedimetric counting
Authors: Demircan Yalçın Yağmur , Töral Taylan Berkin , Sukas Sertan , Yıldırım Ender , Zorlu Özge , Gündüz Ufuk , Külah Haluk
Published: June 2021

We report the development of a lab-on-a-chip system, that facilitates coupled dielectrophoretic detection (DEP-D) and impedimetric counting (IM-C), for investigating drug resistance in K562 and CCRF-CEM leukemia cells without (immuno) labeling. Two IM-C units were placed upstream and downstream of the DEP-D unit for enumeration, respectively, before and after the cells were treated in DEP-D unit, where the difference in cell count gave the total number of trapped cells based on their DEP characteristics. Conductivity of the running buffer was matched the conductivity of cytoplasm of wild type K562 and CCRF-CEM cells. Results showed that DEP responses of drug resistant and wild type K562 cells were statistically discriminative (at p = 0.05 level) at 200 mS/m buffer conductivity and at 8.6 MHz working frequency of DEP-D unit. For CCRF-CEM cells, conductivity and frequency values were 160 mS/m and 6.2 MHz, respectively. Our approach enabled discrimination of resistant cells in a group by setting up a threshold provided by the conductivity of running buffer. Subsequent selection of drug resistant cells can be applied to investigate variations in gene expressions and occurrence of mutations related to drug resistance.
Cultural values shape the expression of self-evaluative social emotions
Authors: von Suchodoletz Antje , Hepach Robert
Published: June 2021

Social emotions are key to everyday social life and therefore shaped by cultural values in their expression. Prior research has focused on facial expressions of emotions. What is less clear, however, is the extent to which cultural values shape other modalities of emotional expression. In the present study, we applied a novel paradigm using depth sensor imaging technology to capture changes in participants’ body posture in real time. We aimed to (1) identify the nuances in the postural expression that are thought to characterize social emotions and (2) assess how individual differences in cultural values impact the postural expression of emotions. Participants in two separate studies were 132 undergraduate college students whose upper-body postural expansion was recorded after they recalled emotion episodes. Positive emotions elevated participants’ upper-body posture whereas negative emotions resulted in lowered upper-body posture. The effects on changes in upper-body posture were moderated by participants’ self-ratings of the vertical and horizontal dimensions of individualism and collectivism. The findings provide initial evidence of the nuances in the way cultural values influence the postural expression of emotions.
Pharmacologic targeting of Cdc42 GTPase by a small molecule Cdc42 activity-specific inhibitor prevents platelet activation and thrombosis
Authors: Duan Xin , Perveen Rehana , Dandamudi Akhila , Adili Reheman , Johnson James , Funk Kevin , Berryman Mark , Davis Ashley Kuenzi , Holinstat Michael , Zheng Yi , Akbar Huzoor
Published: June 2021

Gene targeting of Cdc42 GTPase has been shown to inhibit platelet activation. In this study, we investigated a hypothesis that inhibition of Cdc42 activity by CASIN, a small molecule Cdc42 Activity-Specific INhibitor, may down regulate platelet activation and thrombus formation. We investigated the effects of CASIN on platelet activation in vitro and thrombosis in vivo. In human platelets, CASIN, but not its inactive analog Pirl7, blocked collagen induced activation of Cdc42 and inhibited phosphorylation of its downstream effector, PAK1/2. Moreover, addition of CASIN to washed human platelets inhibited platelet spreading on immobilized fibrinogen. Treatment of human platelets with CASIN inhibited collagen or thrombin induced: (a) ATP secretion and platelet aggregation; and (b) phosphorylation of Akt, ERK and p38-MAPK. Pre-incubation of platelets with Pirl7, an inactive analog of CASIN, failed to inhibit collagen induced aggregation. Washing of human platelets after incubation with CASIN eliminated its inhibitory effect on collagen induced aggregation. Intraperitoneal administration of CASIN to wild type mice inhibited ex vivo aggregation induced by collagen but did not affect the murine tail bleeding times. CASIN administration, prior to laser-induced injury in murine cremaster muscle arterioles, resulted in formation of smaller and unstable thrombi compared to control mice without CASIN treatment. These data suggest that pharmacologic targeting of Cdc42 by specific and reversible inhibitors may lead to the discovery of novel antithrombotic agents.
A computational method for prioritizing targeted therapies in precision oncology: performance analysis in the SHIVA01 trial
Authors: Petak Istvan , Kamal Maud , Dirner Anna , Bieche Ivan , Doczi Robert , Mariani Odette , Filotas Peter , Salomon Anne , Vodicska Barbara , Servois Vincent , Varkondi Edit , Gentien David , Tihanyi Dora , Tresca Patricia , Lakatos Dora , Servant Nicolas , Deri Julia , du Rusquec Pauline , Hegedus Csilla , Bello Roufai Diana , Schwab Richard , Dupain Celia , Valyi-Nagy Istvan T. , Le Tourneau Christophe
Published: June 2021

Precision oncology is currently based on pairing molecularly targeted agents (MTA) to predefined single driver genes or biomarkers. Each tumor harbors a combination of a large number of potential genetic alterations of multiple driver genes in a complex system that limits the potential of this approach. We have developed an artificial intelligence (AI)-assisted computational method, the digital drug-assignment (DDA) system, to prioritize potential MTAs for each cancer patient based on the complex individual molecular profile of their tumor. We analyzed the clinical benefit of the DDA system on the molecular and clinical outcome data of patients treated in the SHIVA01 precision oncology clinical trial with MTAs matched to individual genetic alterations or biomarkers of their tumor. We found that the DDA score assigned to MTAs was significantly higher in patients experiencing disease control than in patients with progressive disease (1523 versus 580, P = 0.037). The median PFS was also significantly longer in patients receiving MTAs with high (1000+ <) than with low (<0) DDA scores (3.95 versus 1.95 months, P = 0.044). Our results indicate that AI-based systems, like DDA, are promising new tools for oncologists to improve the clinical benefit of precision oncology.
Cyanocobalamin prevents cardiomyopathy in type 1 diabetes by modulating oxidative stress and DNMT-SOCS1/3-IGF-1 signaling
Authors: Kakoki Masao , Ramanathan Purushotham V. , Hagaman John R. , Grant Ruriko , Wilder Jennifer C. , Taylor Joan M. , Charles Jennette J. , Smithies Oliver , Maeda-Smithies Nobuyo
Published: June 2021

Patients with long-standing diabetes have a high risk for cardiac complications that is exacerbated by increased reactive oxygen species (ROS) production. We found that feeding cyanocobalamin (B12), a scavenger of superoxide, not only prevented but reversed signs of cardiomyopathy in type 1 diabetic Elmo1H/HIns2Akita/+ mice. ROS reductions in plasma and hearts were comparable to those in mice treated with other antioxidants, N-acetyl-L-cysteine or tempol, but B12 produced better cardioprotective effects. Diabetes markedly decreased plasma insulin-like growth factor (IGF)-1 levels, while B12, but not N-acetyl-L-cysteine nor tempol, restored them. B12 activated hepatic IGF-1 production via normalization of S-adenosylmethionine levels, DNA methyltransferase (DNMT)-1/3a/3b mRNA, and DNA methylation of promoters for suppressor of cytokine signaling (SOCS)-1/3. Reductions of cardiac IGF-1 mRNA and phosphorylated IGF-1 receptors were also restored. Thus, B12 is a promising option for preventing diabetic cardiomyopathy via ROS reduction and IGF-1 retrieval through DNMT-SOCS1/3 signaling.
A neural crest cell isotropic-to-nematic phase transition in the developing mammalian gut
Authors: Chevalier Nicolas R. , Ammouche Yanis , Gomis Anthony , Langlois Lucas , Guilbert Thomas , Bourdoncle Pierre , Dufour Sylvie
Published: June 2021

While the colonization of the embryonic gut by neural crest cells has been the subject of intense scrutiny over the past decades, we are only starting to grasp the morphogenetic transformations of the enteric nervous system happening in the fetal stage. Here, we show that enteric neural crest cell transit during fetal development from an isotropic cell network to a square grid comprised of circumferentially-oriented cell bodies and longitudinally-extending interganglionic fibers. We present ex-vivo dynamic time-lapse imaging of this isotropic-to-nematic phase transition and show that it occurs concomitantly with circular smooth muscle differentiation in all regions of the gastrointestinal tract. Using conditional mutant embryos with enteric neural crest cells depleted of β1-integrins, we show that cell-extracellular matrix anchorage is necessary for ganglia to properly reorient. We demonstrate by whole mount second harmonic generation imaging that fibrous, circularly-spun collagen I fibers are in direct contact with neural crest cells during the orientation transition, providing an ideal orientation template. We conclude that smooth-muscle associated extracellular matrix drives a critical reorientation transition of the enteric nervous system in the mammalian fetus.
Surface Engineering of Boron Nitride Nanoplatelets for Thermal Conductivity Enhancement of Polymers
Authors: Chen Yu , Jiang Pingkai , Kong Jie , Huang Xingyi
Published: June 2021

Boron nitride nanoplatelets (BNNP) have great potential for the improvement of the thermal conductivity of polymers due to their ultra-high thermal conductivity and excellent insulation properties. Herein, we provide a review on surface engineering of BNNP and their applications in polymer composites. This chapter begins with the introduction of the structural features and properties of BNNP. The preparation methods of BNNP are classified as ‘top-down’ and ‘bottom-up’ approaches. BNNP can be further chemically modified by introducing different functional groups onto the surface in order to improve compatibility between the BNNP and the polymer matrices. Thermally conductive polymer composites based on BNNP have developed rapidly from the development of novel preparation methods and the design of sophisticated internal microstructures.
2D Nanomaterial-based Polymer Composite Electrolytes for Lithium-based Batteries
Authors: Vijayakumar Vidyanand , Ghosh Meena , Samantaray Paresh Kumar , Kurungot Sreekumar , Winter Martin , Nair Jijeesh Ravi
Published: June 2021

Two-dimensional (2D) nanomaterials have been used for various electrochemical applications, especially in lithium-based batteries (LBs). They have been employed as anodes, cathodes, and electrolyte components. The major classes of 2D nanomaterials, namely ionically conducting anionic- and cationic-layered clays, transition metal dichalcogenides (TMCs), graphene, boron nitrides (BNs), MXenes, and phosphorene have been employed as fillers in polymer electrolytes (PEs). In this respect, this chapter will shine a light on the various types of polymer composite electrolytes (PCEs) that have been investigated so far as Li+-ion-conducting electrolyte membranes, as well as electrode surface protection layers in LBs. Additionally, this chapter will provide a summary of such PE systems as separator/electrolyte membranes in LBs. The first section will introduce the LBs, and the subsequent sections are dedicated to discussions on various types of electrolyte and the significance of PEs. The last section is focused on PCEs based on 2D nanomaterials as fillers and their application as separators and surface protection layers in rechargeable LBs.
Multiplexing steganography based on laser-induced breakdown spectroscopy coupled with machine learning
Authors: Yin Pengkun , Yang Enlai , Chen Youyuan , Peng Zhengying , Li Dan , Duan Yixiang , Lin Qingyu
Published: June 2021

An innovative multiplexing steganography method based on laser-induced breakdown spectroscopy has been proposed for the first time and it exhibits superb practicality and security.
Cluster expansion and vertex substitution pathways in nickel germanide Zintl clusters
Authors: Townrow Oliver P. E. , Weller Andrew S. , Goicoechea Jose M.
Published: June 2021

We describe the reactivity of the hypersilyl-functionalized Zintl cluster salt K[Ge9(Hyp)3] towards the nickel reagents Ni(COD)2and Ni(Cp)2, which gives rise to markedly different complexes.
From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates
Authors: Qiu Qi-Ming , Yang Guo-Yu
Published: June 2021

By tuning the synthetic conditions, a 3D gallo-borate with a high second-harmonic generation response was obtained.
Solvent-induced structural transformation from heptanuclear to decanuclear [Co–Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways
Authors: Basak Dipmalya , Martí Emma Regincós , Murrie Mark , Nemec Ivan , Ray Debashis
Published: June 2021

The MeCN solvent-induced transformations of heptanuclear LnIII3CoII2CoIII2+ cationic aggregates, associated with literature unknown Ln(iii)-pivalate-based counter anions, to decanuclear LnIII3CoII3/2CoIII4/5 clusters have been investigated.
High-performance magnesium metal batteries via switching the passivation film into a solid electrolyte interphase
Authors: Bae Jiwoong , Park Hyoju , Guo Xuelin , Zhang Xiao , Warner Jamie H. , Yu Guihua
Published: June 2021

Mg2+ electroplating has been an obstacle for Mg metal batteries due to the passivating nature of Mg metal. Here, a unique current collector based on an amorphous MgO-wrapped Zn-skeleton enabled Mg2+ electroplating for a high-voltage Mg metal battery.
Bifidobacterium dentium N8 with potential probiotic characteristics prevents LPS-induced intestinal barrier injury by alleviating the inflammatory response and regulating the tight junction in Caco-2 cell monolayers
Authors: Zhao Li , Xie Qinggang , Etareri Evivie Smith , Liu Deyu , Dong Jiahuan , Ping Lijun , Liu Fei , Li Bailiang , Huo Guicheng
Published: June 2021

B. dentium N8 with potential probiotic characteristics prevents LPS-induced intestinal barrier injury by alleviating the inflammatory response and regulating the tight junction in Caco-2 cell monolayers based on comparative genomics.
Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering
Authors: Mei Dajiang , Cao Wangzhu , Wang Naizheng , Jiang Xingxing , Zhao Jun , Wang Weikang , Dang Junhui , Zhang Shiyan , Wu Yuandong , Rao Pinhua , Lin Zheshuai
Published: June 2021

Increasing the energy band gap under the premise to maintain a large nonlinear optical (NLO) response is a challenging issue for the exploration and molecular design of mid-infrared nonlinear optical crystals.
Synthesis of hybrids thiazole–quinoline, thiazole–indole and their analogs: in vitro anti-proliferative effects on cancer cell lines, DNA binding properties and molecular modeling
Authors: Santos-Junior Paulo Fernando da S. , Nascimento Igor José dos S. , da Silva Edjan Carlos D. , Monteiro Kadja Luana C. , de Freitas Johnnatan D. , de Lima Lins Samaysa , Maciel Thamilla Maria S. , Cavalcanti Bruno C. , V. Neto José de Brito , de Abreu Fabiane C. , Figueiredo Isis M. , Carinhanha C. Santos Josué , Pessoa Claudia do Ó , da Silva-Júnior Edeildo F. , de Araújo-Júnior João X. , M. de Aquino Thiago
Published: June 2021

A quinoline–thiazole hybrid was synthesized, which showed cytotoxicity against the HL-60 cell line. Electrochemical and spectroscopic experiments suggested DNA as the biological target.
A multilayer microfluidic paper coupled with an electrochemical platform developed for sample separation and detection of dopamine
Authors: Khamcharoen Wisarut , Siangproh Weena
Published: June 2021

A new construction of a multilayer electrochemical microfluidic paper-based analytical device using a single drop of the sample solution was performed for highly selective detection of dopamine in the presence of ascorbic acid interference.
A spirobifluorene-based water-soluble imidazolium polymer for luminescence sensing
Authors: Wei Caifeng , Wu Jinyi , Feng Xiying , Yang Zujin , Zhang Jianyong , Ji Hongbing
Published: June 2021

A water-soluble luminescent sensor based on a spirobifluorene-based imidazolium polymer is developed for the selective sensing of Fe3+ and Cr2O72−.
Quantum chemical investigation of beta-CD–catechin flavonoid encapsulation in solution through NMR analysis: an adequate controlled drug-delivery system
Authors: Da Silva Haroldo C. , Hernandes Isabel S. , De Almeida Wagner B.
Published: June 2021

DFT–PCM–water calculations of 1H NMR chemical shifts for 28 optimized catechin–beta-CD complex structures revealed that adsorption mode of complexion should be predominant in aqueous media, with full-inclusion 1 : 1 structure being in total disagreement with experimental 1H NMR profile (D2O).
Correction: Regio- and stereoselective intermolecular phenol coupling enzymes in secondary metabolite biosynthesis
Authors: Hüttel Wolfgang , Müller Michael
Published: June 2021

Correction for ‘Regio- and stereoselective intermolecular phenol coupling enzymes in secondary metabolite biosynthesis’ by Wolfgang Hüttel et al., Nat. Prod. Rep., 2021, 38, 1011–1043, DOI: 10.1039/d0np00010h.
A NiCoP nanocluster-anchored porous Ti3C2Tx monolayer as high performance hydrogen evolution reaction electrocatalysts
Authors: Kang Sung M. , Kim Minjun , Lee Jeong Bok , Xu Shiyu , Clament Sagaya Selvam N. , Yoo Pil J.
Published: June 2021

Implementation of uniform anchoring of NiCoP nanocluster electrocatalysts on a mesoporous structured monolayer of MXenes for the high performance hydrogen evolution reaction (HER).
Long cyclic stability of acidic aqueous zinc-ion batteries achieved by atomic layer deposition: the effect of the induced orientation growth of the Zn anode
Authors: Zeng Zhisen , Zeng Yuehong , Sun Lingna , Mi Hongwei , Deng Libo , Zhang Peixin , Ren Xiangzhong , Li Yongliang
Published: June 2021

The relationships between the Zn orientation textures and ultrathin mental oxide layers deposited by atomic layer deposition were exposed in Zn-ion batteries.
The role of metal–organic porous frameworks in dual catalysis
Authors: Berijani Kayhaneh , Morsali Ali
Published: June 2021

Metal–organic frameworks (MOFs) are a valuable group of porous crystalline solids with inorganic and organic parts that can be used in dual catalysis.
Decarbonylative sulfide synthesis from carboxylic acids and thioesters via cross-over C–S activation and acyl capture
Authors: Liu Chengwei , Szostak Michal
Published: June 2021

Synthesis of sulfides by orchestrated acyl capture, sulfur metathesis and decarbonylation is reported. This novel concept for catalysis enables cross-over thioetherification of ubiquitous carboxylic acids by a redox-neutral decarbonylative mechanism.
Correction: Facile preparation of novel quaternary g-C3N4/Fe3O4/AgI/Bi2S3 nanocomposites: magnetically separable visible-light-driven photocatalysts with significantly enhanced activity
Authors: Akhundi Anise , Habibi-Yangjeh Aziz
Published: June 2021

Correction for ‘Facile preparation of novel quaternary g-C3N4/Fe3O4/AgI/Bi2S3 nanocomposites: magnetically separable visible-light-driven photocatalysts with significantly enhanced activity’ by Anise Akhundi et al., RSC Adv., 2016, 6, 106572–106583. DOI: 10.1039/C6RA12414C.
TSNet: predicting transition state structures with tensor field networks and transfer learning
Authors: Jackson Riley , Zhang Wenyuan , Pearson Jason
Published: June 2021

Transition states are among the most important molecular structures in chemistry, critical to a variety of fields such as reaction kinetics, catalyst design, and the study of protein function.
Directing transition metal-based oxygen-functionalization catalysis
Authors: Tomboc Gracita M. , Park Yeji , Lee Kwangyeol , Jin Kyoungsuk
Published: June 2021

This review presents the recent progress of oxygen functionalization catalysis via non-electrochemical (conventional organic synthesis) and electrochemical routes.
Expanded porphyrins: functional photoacoustic imaging agents that operate in the NIR-II region
Authors: Chen Jingqin , Sedgwick Adam C. , Sen Sajal , Ren Yaguang , Sun Qinchao , Chau Calvin , Arambula Jonathan F. , Sarma Tridib , Song Liang , Sessler Jonathan L. , Liu Chengbo
Published: June 2021

In this study, two expanded porphyrins, octaphyrin and naphthorosarin were evaluated as potential PA agents. The nanoparticle encapsulation of octaphyrin successfully enabled the visualization of acidic environments and the discrimination between cancerous and healthy tissues.
Construction of isostructural hydrogen-bonded organic frameworks: limitations and possibilities of pore expansion
Authors: Suzuki Yuto , Gutiérrez Mario , Tanaka Senri , Gomez Eduardo , Tohnai Norimitsu , Yasuda Nobuhiro , Matubayasi Nobuyuki , Douhal Abderrazzak , Hisaki Ichiro
Published: June 2021

The library of isostructural porous frameworks enables a systematic survey to optimize the structure and functionality of porous materials.
Glass surface as strong base, ‘green’ heterogeneous catalyst and degradation reagent
Authors: Li Yangjie , Huang Kai-Hung , Morato Nicolás M. , Cooks R. Graham
Published: June 2021

Glass surfaces are found to be strong bases, ‘green’ heterogeneous catalysts and degradation reagents: glass microspheres act as strong bases to accelerate multiple base-catalyzed reaction types by a factor of 26–2021.
Power-to-methanol process: a review of electrolysis, methanol catalysts, kinetics, reactor designs and modelling, process integration, optimisation, and techno-economics
Authors: Mbatha Siphesihle , Everson Raymond C. , Musyoka Nicholas M. , Langmi Henrietta W. , Lanzini Andrea , Brilman Wim
Published: June 2021

This review evaluated power-to-methanol and its key technologies with detailed analysis from a process system engineering perspective. It offers a holistic view and highlights key gaps and opportunities for improvements.
Bimetallic CeZr5-UiO-66 as a highly efficient photocatalyst for the nitrogen reduction reaction
Authors: Zhang Xu , Li Xiaoman , Gao Wanguo , Luo Shijian , Su Senda , Huang Rong , Luo Min
Published: June 2021

The LMCT mechanism of the photocatalytic nitrogen reduction reaction of bimetallic CeZr5-UIO-66.
Structure of an open conformation of T7 DNA polymerase reveals novel structural features regulating primer-template stabilization at the polymerization active site
Authors: Juarez-Quintero Víctor , Peralta-Castro Antolín , Benítez Cardoza Claudia G. , Ellenberger Tom , Brieba Luis G.
Published: June 2021

The crystal structure of full-length T7 DNA polymerase in complex with its processivity factor thioredoxin and double-stranded DNA in the polymerization active site exhibits two novel structural motifs in family-A DNA polymerases: an extended β-hairpin at the fingers subdomain, that interacts with the DNA template strand downstream the primer-terminus, and a helix-loop-helix motif (insertion1) located between residues 102 to 122 in the exonuclease domain. The extended β-hairpin is involved in nucleotide incorporation on substrates with 5′-overhangs longer than 2 nt, suggesting a role in stabilizing the template strand into the polymerization domain. Our biochemical data reveal that insertion1 of the exonuclease domain makes stabilizing interactions that facilitate proofreading by shuttling the primer strand into the exonuclease active site. Overall, our studies evidence conservation of the 3′–5′ exonuclease domain fold between family-A DNA polymerases and highlight the modular architecture of T7 DNA polymerase. Our data suggest that the intercalating β-hairpin guides the template-strand into the polymerization active site after the T7 primase-helicase unwinds the DNA double helix ameliorating the formation of secondary structures and decreasing the appearance of indels.
The Relevance of the Availability of Visual Speech Cues During Adaptation to Noise-Vocoded Speech
Authors: Trotter Antony S. , Banks Briony , Adank Patti
Published: June 2021

Purpose

This study first aimed to establish whether viewing specific parts of the speaker's face (eyes or mouth), compared to viewing the whole face, affected adaptation to distorted noise-vocoded sentences. Second, this study also aimed to replicate results on processing of distorted speech from lab-based experiments in an online setup.

Method

We monitored recognition accuracy online while participants were listening to noise-vocoded sentences. We first established if participants were able to perceive and adapt to audiovisual four-band noise-vocoded sentences when the entire moving face was visible (AV Full). Four further groups were then tested: a group in which participants viewed the moving lower part of the speaker's face (AV Mouth), a group in which participants only see the moving upper part of the face (AV Eyes), a group in which participants could not see the moving lower or upper face (AV Blocked), and a group in which participants saw an image of a still face (AV Still).

Results

Participants repeated around 40% of the key words correctly and adapted during the experiment, but only when the moving mouth was visible. In contrast, performance was at floor level, and no adaptation took place, in conditions when the moving mouth was occluded.

Conclusions

The results show the importance of being able to observe relevant visual speech information from the speaker's mouth region, but not the eyes/upper face region, when listening and adapting to distorted sentences online. Second, the results also demonstrated that it is feasible to run speech perception and adaptation studies online, but that not all findings reported for lab studies replicate.

Supplemental Material

https://doi.org/10.23641/asha.14810523
Tracking down the origin of superbubbles and supergiant shells in the Magellanic Clouds with Minkowski tensor analysis
Authors: Collischon Caroline , Sasaki Manami , Mecke Klaus , Points Sean D. , Klatt Michael A.
Published: June 2021

Aims.We develop an automatic bubble-recognition routine based on Minkowski functionals (MF) and tensors (MT) to detect bubble-like interstellar structures in optical emission line images.

Methods.Minkowski functionals and MT are powerful mathematical tools for parameterizing the shapes of bodies. Using the papaya2-library, we created maps of the desired MF or MT of structures at a given window size. We used maps of the irreducible MTψ2, which is sensitive to elongation, to find filamentary regions in Hα, [S II], and [O III] images of the Magellanic Cloud Emission Line Survey. Using the phase ofψ2, we were able to draw lines perpendicular to each filament and thus obtain line-density maps. This allowed us to find the center of a bubble-like structure and to detect structures at different window sizes.

Results.The detected bubbles in all bands are spatially correlated to the distribution of massive stars, showing that we indeed detect interstellar bubbles without large spatial bias. Eighteen out of 59 supernova remnants in the Large Magellanic Cloud (LMC) and 13 out of 20 superbubbles are detected in at least one wavelength. The lack of detection is mostly due to surrounding emission that disturbs the detection, a too small size, or the lack of a (circular) counterpart in our emission line images. In line-density maps at larger scales, maxima can be found in regions with high star formation in the past, often inside supergiant shells (SGS). In SGS LMC 2, there is a maximum west of the shell where a collision of large gas clouds is thought to have occurred. In the Small Magellanic Cloud (SMC), bubble detection is impaired by the more complex projected structure of the galaxy. Line maps at large scales show large filaments in the SMC in a north-south direction, especially in the [S II] image. The origin of these filaments is unknown.
Stability of polycyclic aromatic hydrocarbon clusters in protoplanetary discs
Authors: Lange K. , Dominik C. , Tielens A. G. G. M.
Published: June 2021

Context. The infrared signature of polycyclic aromatic hydrocarbons (PAHs) is present in many protostellar discs, and these species are thought to play an important role in the heating of the gas in the photosphere.

Aims. We consider PAH cluster formation as one possible cause for non-detections of PAH features in protoplanetary discs. We test the necessary conditions for cluster formation and cluster dissociation by stellar optical and far-UV photons in protoplanetary discs using a Herbig Ae/Be and a T Tauri star disc model.

Methods. We perform Monte Carlo and statistical calculations to determine dissociation rates for coronene, circumcoronene, and circumcoronene clusters with sizes of between 2 and 200 cluster members. By applying general disc models to our Herbig Ae/Be and T Tauri star model, we estimate the formation rate of PAH dimers and compare these with the dissociation rates.

Results. We show that the formation of PAH dimers can take place in the inner 100 AU of protoplanetary discs in sub-photospheric layers. Dimer formation takes seconds to years, allowing them to grow beyond dimer size in a short time. We further demonstrate that PAH clusters increase their stability while they grow when they are located beyond a critical distance that depends on stellar properties and PAH species. The comparison with the local vertical mixing timescale allows a determination of the minimum cluster size necessary for the survival of PAH clusters.

Conclusions. Considering the PAH cluster formation sites, cluster survival in the photosphere of the inner disc of Herbig stars is unlikely because of the high UV radiation. For the T Tauri stars, survival of coronene, circumcoronene, and circumcircumcoronene clusters is possible, and cluster formation should be considered as one possible explanation for low PAH detection rates in T Tauri star discs.
Stability analysis of Baishuihe landslide under the combined effect of reservoir and rainfall
Authors: Liu Yi , Zhao Binbin , Liu Bin , Kong Xiaoang , Yang Zhi
Published: June 2021

Reservoir drawdown and rainfall have important influence on bank landslides, but existing research on these two factors is too idealistic. A new reservoir drawdown model was proposed for the rapid drawdown stage based on the consideration of reduction, navigation and power generation. A rainfall model was proposed considering actural rainfall and rainfall time based on fifty years of daily rainfall data. At last, taking Baishuihe landslide as an example, the landslide stability was analyzed under the combined influenced of rainfall and reservoir drawdown. Results show that the Baishuihe landslide is mainly influenced by reservoir drawdown. The terminal reservoir drawdown model can reduce the effect of continuous decline of reservoir on landslide and the stability decreases about 0.7%~1.2% compared with normal scenario. The reservoir drawdown model proposed in this paper is of significance to the reservoir operation in the Three Gorges Reservoir.
Research on intelligent construction of Hydropower Enterprises
Authors: Wei Zhang , Zhaohui Ding , Guoyu Yang , Zhonghao Xiong
Published: June 2021

Hydropower is the largest clean and low-carbon renewable energy, which can generate electricity with comprehensive utilization functions such as flood control, water supply, shipping and irrigation, and has significant social, ecological and economic benefits. However, at present, the progress of intelligent construction of hydropower enterprises is relatively slow, and the theoretical and strategic research is still relatively weak, resulting in low management efficiency and low degree of production visualization. How to carry out intelligent enterprise construction for traditional hydropower enterprises, improve the management level of enterprises and better adapt to the competitive environment of power market is a major research topic for hydropower managers. This paper mainly expounds the necessity, strategic framework and overall construction scheme of intelligent construction of hydropower enterprises. Through the application of new technologies such as cloud computing, big data and Internet of things, an efficient and scalable unified data management and analysis platform is established to provide guarantee for safe, economic, efficient and intelligent operation of hydropower enterprises and provide basis for command and decision-making.
Study on analysis method of regional water consumption standard index
Authors: Qi-feng Li , Lian-feng Ke , Hai-feng Gao , He-shuai Qi
Published: June 2021

According to the requirement of the regional water resources demonstration system to clarify the total water consumption control index and water consumption standard, this paper studies and proposes the establishment of water consumption standard index, puts forward the analysis principle and method of water consumption standard index based on the combination of standard reference and typical investigation, and carries out the application research with Haining Economic Development Zone as an example, The research results provide technical support for regional implementation of water resources demonstration system and enterprise water saving evaluation.
Research on the County Water Resources Carrying Capacity in the New Period
Authors: Li Jinxing , Ke Lianfeng , Yang Le , Qi Heshuai
Published: June 2021

With the rapid economic and social development, human disturbances to the ecosystem have become more and more intense. However, the scale of regional economic and social development, supported by regional water resources, has boundaries. The central government and local governments of all levels have clearly proposed to carry out water resources carrying capacity evaluation and early warning. From the perspective of the actual management of the county water administrative department, with the administrative divisions within the county as the basic unit, the principle of index selection and index grading standards determination is proposed, and an index system including the four major levels of society, economy, water resources, and ecology is constructed. Then, combined with the functions of various government departments, the basic framework of a universal water resources carrying capacity early warning mechanism, including three major processes: carrying capacity evaluation and update, early warning information release, and implementation of differentiated control measures, is proposed.
Study on Hydrodynamic Characteristics of Wind Turbine Monopile under Nonlinear Wave
Authors: Li Zou , Kexin Yang , Tiezhi Sun , Peizheng Wang
Published: June 2021

As wind power technologies become maturer, the monopile foundation of offshore wind turbine is widely used because of its simple structure, few occupied space and low cost. However, under severe sea conditions, the impact of nonlinear wave load applied against the monopile foundation on the system structure safety cannot be ignored. In this paper, the 5MW offshore wind turbine of the National Renewable Energy Laboratory (NREL) was taken as the research object, and the computational fluid analysis software ‘STARCCM +’ was used to study the hydrodynamic characteristics of the monopile foundation of the wind turbine under different wave parameters. This paper mainly analyzed the upper wave, pressure and wave forces around the monopile foundation of the wind turbine under the same period and different wave heights. And the wave force calculated by CFD was compared with the result based on potential flow theory. The research results showed that with the rise of wave height, the upper wave, pressure and wave force around the monopile foundation increase continuously, and the second-peak phenomenon appeared at some measuring points on the water surface of the monopile foundation. Because the CFD method considers the fluid viscosity and is more in line with the real sea conditions, it is more accurate to obtain wave forces based on this method.
Research on Visualization System Platform of Power Equipment Based on Internet of Things
Authors: Ning Xuefeng
Published: June 2021

As an important basic industry to ensure the sustainable growth of the national economy, the power industry has a large amount of power equipment information. In order to solve the widespread status information dispersion, inefficient use of status information, and low visibility in the status management of power transmission and transformation equipment. Key technologies such as multi-source heterogeneous data information fusion and visualization of power grid panoramic state information based on 3D GIS, a visualized intelligent management and control system for power transmission and transformation equipment is developed, which can comprehensively realize the status monitoring and diagnosis of power transmission and transformation equipment. As well as early warning, it provides an important means for managers and frontline employees to carry out equipment status management, so that staff can quickly obtain key information and improve work efficiency.