bluuebunny/crossref_metadata_2025 huggingface dataset:
Physical activity, screen time and the incidence of neck and shoulder pain in school-aged children
Authors: Pirnes Katariina Pauliina , Kallio Jouni , Hakonen Harto , Hautala Arto , Häkkinen Arja Helena , Tammelin Tuija
Published: June 2022

This study investigated the associations of accelerometer-measured physical activity, sedentary time and screen time with the incidence of neck and shoulder pain in school-aged children over a two-year follow-up. Children (aged 10–15) were measured at baseline 2013 (T0) (n = 970) and at follow-ups 2014 (T1) and 2015 (T2). Neck and shoulder pain frequency and screen time were determined with a web-based questionnaire. Daytime moderate to vigorous physical activity and sedentary time were measured with an accelerometer. Logistic regression was applied, and the results were adjusted for age, gender, body mass index and bedtime. Accelerometer-measured physical activity or sedentary time at baseline were not associated with the incidence of neck and shoulder pain at the two-year follow-up. Associations of neck and shoulder pain incidence with overall screen time (p = 0.020), and especially with passive gaming time (p = 0.036) and social media time (p = 0.023) were found at the first but not the second follow-up. The neck and shoulder pain incidence associated with overall screen time, passive gaming time and social media time at the first follow-up. The importance of limiting screen time, should be explored in order to find new approaches in preventing neck and shoulder pain in school-aged children.
Coral Sr/Ca records provide realistic representation of eastern Indian Ocean cooling during extreme positive Indian Ocean Dipole events
Authors: Pfeiffer Miriam , Watanabe Takaaki Konabe , Takayanagi Hideko , Cahyarini Sri Yudawati , Garbe-Schönberg Dieter , Watanabe Tsuyoshi
Published: June 2022

Extreme positive Indian Ocean Dipole (pIOD) events are amplified by non-linear ocean–atmosphere interactions and are characterized by pronounced cooling in the eastern equatorial Indian Ocean. These non-linear feedbacks are not adequately represented in historical products of sea surface temperatures that underestimate the magnitude of extreme pIOD events. Here, we present a sea surface temperature (SST) reconstruction based on monthly coral Sr/Ca ratios measured in two coral cores from Enggano Island (Indonesia), that lies in the eastern pole of the IOD. The coral SST reconstruction extends from 1930 to 2008 and captures the magnitude of cooling during extreme pIOD events as shown in recent satellite and reanalysis data of SST that include ocean dynamics. The corals indicate that the 1961 pIOD event was at least as severe as the 1997 event, while the 1963 pIOD was more comparable to the 2006 event. The magnitude 1967 pIOD is difficult to assess at present due to poor replication between coral cores, and may be comparable to either 1997 or 2006. Cooling during the 1972 pIOD was short-lived and followed by pronounced warming, as seen in the moderate pIOD event of 1982. A combination of coral SST reconstructions and an extension of new reanalysis products of SST to historical time scales could help to better assess the severity and impact of past pIOD events such as the ones seen in the 1960s.
Cancer immunohistogram representing cancer-immunity cycle by immunohistochemistry predicts the efficacy of immune checkpoint inhibitors in urological cancer patients
Authors: Kijima Toshiki , Kubo Terufumi , Nishihara Daisaku , Nukui Akinori , Hirohashi Yoshihiko , Torigoe Toshihiko , Kamai Takao
Published: June 2022

We developed an immunohistogram representing an individual cancer-immunity cycle based on immunohistochemical analyses. We evaluated its ability to predict the efficacy of immune checkpoint inhibitors (ICI) in 11 patients with urothelial carcinoma and 7 patients with renal cell carcinoma who underwent surgery and received ICIs for disease recurrence. Immunohistochemical analyses for CD8, TIA-1, HLA class I, HLA-DR, and PD-L1 were performed and scored 0–3. T-cell infiltration pattern was classified into desert, excluded, partially inflamed, and inflamed. Tumors with an inflamed or partially inflamed pattern and positive scores (score ≥ 1) for all five immune markers were classified as “immune-hot” and others as “immune-cold.” Association between the immunohistogram and ICI treatment efficacy was evaluated with objective response rate, disease control rate (DCR), progression-free survival (PFS), and cancer-specific survival (CSS). Eight (44%) and 10 (56%) patients had immune-hot and immune-cold tumors, respectively. Immune-hot tumors showed a higher DCR (100% vs. 40%, p < 0.01), longer PFS (median unreached for hot, 1.3 months for cold, p < 0.01), and longer CSS (median unreached for hot, 3.3 months for cold, p < 0.01) than immune-cold tumors. The immunohistogram could be clinically useful as an accessible biomarker for precision cancer immunotherapy in urological cancer.
Construction of a four-mRNA prognostic signature with its ceRNA network in CESC
Authors: Li Lang , Guo Qiusheng , Lan Gaochen , Liu Fei , Wang Wenwu , Lv Xianmei
Published: June 2022

Cervical squamous cell carcinoma and endocervical adenocarcinoma (CESC) tumorigenesis involves a combination of multiple genetic alteration processes. Constructing a survival-associated competing endogenous RNA (ceRNA) network and a multi-mRNA-based prognostic signature model can help us better understand the complexity and genetic characteristics of CESC. In this study, the RNA-seq data and clinical information of CESC patients were downloaded from The Cancer Genome Atlas. Differentially expressed mRNAs, lncRNAs and miRNAs were identified with the edgeR R package. A four-mRNA prognostic signature was developed by multivariate Cox regression analysis. Kaplan–Meier survival with the log-rank tests was performed to assess survival rates. The relationships between overall survival (OS) and clinical parameters were evaluated by Cox regression analysis. A survival-associated ceRNA network was constructed with the multiMiR package and miRcode database. Kyoto encyclopedia of genes and genomes (KEGG) analysis and gene ontology analyses were used to identify the functional role of the ceRNA network in the prognosis of CESC. A total of 298 differentially expressed mRNAs, 8 miRNAs, and 29 lncRNAs were significantly associated with the prognosis of CESC. A prognostic signature model based on 4 mRNAs (OPN3, DAAM2, HENMT1, and CAVIN3) was developed, and the prognostic ability of this signature was indicated by the AUC of 0.726. Patients in the high-risk group exhibited significantly worse OS. The KEGG pathways, TGF-β and Cell adhesion molecules, were significantly enriched. In this study, a CESC-associated ceRNA network was constructed, and a multi-mRNA-based prognostic model for CESC was developed based on the ceRNA network, providing a new perspective for cancer pathogenesis research.
Disentangling the relationship of gut microbiota, functional gastrointestinal disorders and autism: a case–control study on prepubertal Chinese boys
Authors: Wong Oscar W. H. , Lam Angela M. W. , Or Brian P. N. , Mo Flora Y. M. , Shea Caroline K. S. , Lai Kelly Y. C. , Ma Suk Ling , Hung Se Fong , Chan Sandra , Kwong Thomas N. Y. , Wong Sunny , Leung Patrick W. L.
Published: June 2022

Emerging evidence of an altered gut microbiome in autism spectrum disorder (ASD) suggests a pathomechanism through the gut–brain axis despite the inconsistent microbiome profile reported across studies. One of the knowledge gaps in the existing ASD microbiota studies is the lack of systematic exploration of the role of comorbid functional gastrointestinal disorder (FGID) in the association of ASD and altered gut microbiome. Consequently, 92 ASD and 112 age-matched typically developing (TD) boys were profiled on general psychopathology, FGID status by Rome IV classification, and gut microbiota using 16S ribosomal RNA amplicon sequencing at the V4 hypervariable region. Compared to TD, a significant decrease in the within-sample abundance of taxa was observed in ASD, regardless of FGID status. The microbiota of ASD FGID+ and ASD FGID− clustered apart from the TD groups. The microbiota of ASD FGID+ also showed qualitative differences from that of ASD FGID− and had the highest-level Firmicutes: Bacteroidetes ratio, which was paralleled by elevated levels of anxiety and overall psychopathology. The altered gastrointestinal microbiota composition in ASD appeared to be independent of comorbid FGID. Further studies should address how FGID may mediate neuropsychiatric symptoms in ASD through inflammation along the microbiota–gut–brain axis.
Fixed complex electrograms during sinus rhythm and local pacing: potential ablation targets for persistent atrial fibrillation
Authors: Xu Buyun , Xu Chao , Sun Yong , Peng Jiahao , Peng Fang , Tang Weiliang , Zhou Yan , Wang Shengkai , Pan Jie , Xing Yangbo
Published: June 2022

In atrial fibrillation (AF) patients, complex electrograms during sinus rhythm (C-EGMs) could be pathological or not. We aimed to demonstrate whether local pacing was helpful to discern pathological C-EGMs. 126 persistent AF patients and 27 patients with left-side accessory pathway (LAP) underwent left atrial mapping during sinus rhythm. If C-EGMs were detected, local pacing was performed. If the electrograms turned normal, we defined them as non-fixed C-EGMs, otherwise as fixed C-EGMs. No difference was detected in the incidence and proportion of non-fixed C-EGMs between AF patients and LAP patients (101/126 vs. 19/27, P = 0.26; 9.1 ± 6.0% vs. 7.7 ± 5.7%, P = 0.28). However, the incidence and proportion of fixed C-EGMs were higher in persistent AF patients (87/126 vs. 1/27, P < 0.01; 4.3 ± 3.4% vs. 0.1 ± 0.5%, P < 0.01). Compared with non-fixed C-EGMs, fixed C-EGMs had lower amplitudes, longer electrogram durations and longer Stimuli-P wave internals. All AF patients received circumferential pulmonary vein isolation. Among AF patients with fixed C-EGMs, 45 patients received fixed C-EGMs ablation and 42 patients underwent linear ablation. Compared with linear ablation, fixed C-EGMs ablation reduced recurrence (HR: 0.43; 95% CI 0.21‐0.81; P = 0.011). Among patients without fixed C-EGMs ablation, the proportion of fixed C-EGMs was an independent predictor of ablation outcomes (HR for per percent: 1.13, 95% CI 1.01–1.28, P = 0.038). C-EGMs could be classified into fixed and non-fixed C-EGMs through local pacing. Fixed rather than non-fixed C-EGMs might indicate abnormal atrial substrates and fixed C-EGMs ablation improve outcomes of persistent AF ablation.
Impact of previous cardiac function status assessed by echocardiography on the outcome of COVID-19
Authors: Carrión Irene , Olmos Carmen , Luaces María , Cortés Ana Isabel , Real Carlos , de Agustín Alberto , Bottino Roberta , Pozo Eduardo , de Isla Leopoldo Pérez , Islas Fabián
Published: June 2022

More than 91,000 fatalities due to Coronavirus Disease 2019 (COVID-19) have occurred in Spain. Several factors are associated with increased mortality in this disease, including cardiovascular risk factors (CVRF). However, information on the cardiac function of patients prior to the onset of COVID-19 is scarce and the potential impact it may have is uncertain. The aim of the EchoVID study was to describe the potential association between CVRF and cardiac function status prior to SARS-CoV-2 infection and in-hospital mortality. We studied clinical characteristics and cardiac function of patients admitted during the first wave of COVID-19. All patients had a transthoracic echocardiogram performed in the previous 12 months prior to diagnosis; conventional systolic and diastolic function parameters were analyzed. Logistic regression analysis was performed to identify predictors of in-hospital mortality. We included 296 individuals. Median age was higher in the group of patients who died (81.0 vs 76.1 years; p = 0.007). No significant differences were found in CVRF. Survivors were more frequently receiving anticoagulation therapy (52.9% vs 70.8%; p = 0.003). LVEF, although preserved on average in both groups, was significantly lower in the group of deceased patients (56.9% vs 61.1%; p = 0.017). Average E/e′ ratio was higher in the deceased group (11.1 vs 10.1; p = 0.049). Five variables were found to be independently associated with in-hospital mortality due to COVID-19: Age, male gender, LVEF, E/e′ ratio and anticoagulation therapy. A model including these variables had an area under the ROC curve of 0.756 (CI 0.669–0.843). The echocardiographic variables included in the model significantly improved the discriminative power, compared to a model including only demographic data. Left ventricular ejection fraction and E/e′ ratio prior to SARS-CoV-2 infection are two easily-obtained echocardiographic parameters that provide additional prognostic information over clinical factors when assessing patients admitted for SARS-CoV-2 infection.
A deep learning method for miRNA/isomiR target detection
Authors: Talukder Amlan , Zhang Wencai , Li Xiaoman , Hu Haiyan
Published: June 2022

Accurate identification of microRNA (miRNA) targets at base-pair resolution has been an open problem for over a decade. The recent discovery of miRNA isoforms (isomiRs) adds more complexity to this problem. Despite the existence of many methods, none considers isomiRs, and their performance is still suboptimal. We hypothesize that by taking the isomiR–mRNA interactions into account and applying a deep learning model to study miRNA–mRNA interaction features, we may improve the accuracy of miRNA target predictions. We developed a deep learning tool called DMISO to capture the intricate features of miRNA/isomiR–mRNA interactions. Based on tenfold cross-validation, DMISO showed high precision (95%) and recall (90%). Evaluated on three independent datasets, DMISO had superior performance to five tools, including three popular conventional tools and two recently developed deep learning-based tools. By applying two popular feature interpretation strategies, we demonstrated the importance of the miRNA regions other than their seeds and the potential contribution of the RNA-binding motifs within miRNAs/isomiRs and mRNAs to the miRNA/isomiR–mRNA interactions.
Association between mental health and duty hours of postgraduate residents in Japan: a nationwide cross-sectional study
Authors: Nagasaki Kazuya , Nishizaki Yuji , Shinozaki Tomohiro , Shimizu Taro , Yamamoto Yu , Shikino Kiyoshi , Fukui Sho , Nishiguchi Sho , Kurihara Masaru , Kataoka Koshi , Tokuda Yasuharu , Kobayashi Hiroyuki
Published: June 2022

The new duty hour (DH) limit for doctors in Japan will begin in 2024, setting the maximum DHs for postgraduate residents at approximately 80 h weekly. To set appropriate limits, understanding the association between DHs and psychological health is necessary. Thus, we assessed the relationship between residents’ psychological health and DHs. We conducted a cross-sectional study involving examinees of the General Medicine In-training Examination 2020. Mental health outcomes were measured dichotomously using the Patient Health Questionnaire-2 for depression and Mini-Z 2.0, for burnout, stress, and satisfaction. Weekly DHs were measured in seven categories at 10-h intervals. The prevalence ratios (PRs) between the DH categories were estimated for each outcome. Of the 6045 residents who provided data on DHs and psychological outcomes, 37.3% showed signs of depression, 21.6% experienced burn out, and 39.2% were highly stressed. In contrast, 62.3% were highly satisfied with their training. Proportions of burnout were higher among residents in Category 6 (≥ 90 and < 100 h; PR 1.36; 95% CI 1.11–1.66) and Category 7 (≥ 100 h; PR 1.36; 95% CI 1.10–1.68) compared with residents in Category 3 (≥ 60 and < 70 h; reference). The results partially support the weekly 80-h DH limit in terms of resident well-being.
Evidence for a mixed-age group in a pterosaur footprint assemblage from the early Upper Cretaceous of Korea
Authors: Jung Jongyun , Huh Min , Unwin David M. , Smyth Robert S. H. , Hwang Koo-Geun , Kim Hyun-Joo , Choi Byung-Do , Xing Lida
Published: June 2022

Here we describe a new pterosaur footprint assemblage from the Hwasun Seoyuri tracksite in the Upper Cretaceous Jangdong Formation of the Neungju Basin in Korea. The assemblage consists of many randomly oriented prints in remarkably high densities but represents a single ichnotaxon, Pteraichnus. Individuals exhibit a large but continuous size range, some of which, with a wingspan estimated at 0.5 m, are among the smallest pterosaurs yet reported from the Upper Cretaceous, adding to other recent finds which contradict the idea that large and giant forms entirely dominated this interval. Unusual features of the tracks, including relatively long, slender pedal digit impressions, do not match the pes of any known Cretaceous pterosaur, suggesting that the trackmakers are as yet unknown from the body fossil record. The Hwasun pterosaur footprints appear to record gregarious behavior at the exact location by individuals of different ages, hinting at the possibility that pterosaurs gathered in mixed-age groups.
Terminalia catappa aqueous leaf extract reverses insulin resistance, improves glucose transport and activates PI3K/AKT signalling in high fat/streptozotocin-induced diabetic rats
Authors: Iheagwam Franklyn Nonso , Iheagwam Olawumi Toyin , Onuoha Michael Kemjika , Ogunlana Olubanke Olujoke , Chinedu Shalom Nwodo
Published: June 2022

Rising prevalence of type 2 diabetes mellitus (T2DM) in sub-Saharan Africa has necessitated surveys of antidiabetic medicinal plants. This study assessed the antidiabetic mechanism of Terminalia catappa aqueous leaf extract (TCA) in high fat/low dose streptozotocin-induced type 2 diabetic rats. T2DM was induced by a combination of high-fat diet and low dose STZ (30 mg/kg bw) and the animals were administered with TCA (400 and 800 mg/kg bw) orally daily for 28 days. Biochemical parameters and indices for diabetes including renal function tests and pancreatic histology were evaluated. Relative expression of hepatic insulin resistance, signalling and glucose transport genes were also assessed. Induction of T2DM resulted in significant (p < 0.05) weight loss, dysregulated glucose level and clearance, electrolyte imbalance and disrupted diabetic biochemical parameters. Diabetes onset also perturbed β-cell function and insulin resistance indices, damaged pancreas microanatomy, while disrupting the expression of insulin receptor substrate 1 (IRS-1), phosphatidylinositol 3-kinase (PI3K), protein kinase B (AKT) and glucose transporter isoform 4 (GLUT-4) mRNA. Oral treatment of diabetic animals with TCA significantly (p < 0.05) ameliorated alterations due to T2DM induction in a manner comparable with glibenclamide. These results suggest TCA exerts its antidiabetic action by reversing insulin resistance, improving glucose transport and activating PI3K/AKT signalling.
Hummingbird plumage color diversity exceeds the known gamut of all other birds
Authors: Venable Gabriela X. , Gahm Kaija , Prum Richard O.
Published: June 2022

A color gamut quantitatively describes the diversity of a taxon’s integumentary coloration as seen by a specific organismal visual system. We estimated the plumage color gamut of hummingbirds (Trochilidae), a family known for its diverse barbule structural coloration, using a tetrahedral avian color stimulus space and spectra from a taxonomically diverse sample of 114 species. The spectra sampled occupied 34.2% of the total diversity of colors perceivable by hummingbirds, which suggests constraints on their plumage color production. However, the size of the hummingbird color gamut is equivalent to, or greater than, the previous estimate of the gamut for all birds. Using the violet cone type visual system, our new data for hummingbirds increases the avian color gamut by 56%. Our results demonstrate that barbule structural color is the most evolvable plumage coloration mechanism, achieving unique, highly saturated colors with multi-reflectance peaks.
Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors
Authors: Makino Yuko , Oe Chihiro , Iwama Kazuya , Suzuki Satoshi , Nishiyama Akie , Hasegawa Kazuya , Okuda Haruka , Hirata Kazushige , Ueno Mariko , Kawaji Kumi , Sasano Mina , Usui Emiko , Hosaka Toshiaki , Yabuki Yukako , Shirouzu Mikako , Katsumi Makoto , Murayama Kazutaka , Hayashi Hironori , Kodama Eiichi N.
Published: June 2022

Serine hydroxymethyltransferase (SHMT) produces 5,10-methylenetetrahydrofolate (CH2-THF) from tetrahydrofolate with serine to glycine conversion. SHMT is a potential drug target in parasites, viruses and cancer. (+)-SHIN-1 was developed as a human SHMT inhibitor for cancer therapy. However, the potential of SHMT as an antibacterial target is unknown. Here, we show that (+)-SHIN-1 bacteriostatically inhibits the growth of Enterococcus faecium at a 50% effective concentration of 10–11 M and synergistically enhances the antibacterial activities of several nucleoside analogues. Our results, including crystal structure analysis, indicate that (+)-SHIN-1 binds tightly to E. faecium SHMT (efmSHMT). Two variable loops in SHMT are crucial for inhibitor binding, and serine binding to efmSHMT enhances the affinity of (+)-SHIN-1 by stabilising the loop structure of efmSHMT. The findings highlight the potency of SHMT as an antibacterial target and the possibility of developing SHMT inhibitors for treating bacterial, viral and parasitic infections and cancer.
Century-long column ozone records show that chemical and dynamical influences counteract each other
Authors: Brönnimann Stefan
Published: June 2022

The recovery of the ozone layer, which is expected as stratospheric chlorine levels have decreased over the past 25 years, remains difficult to detect. Column ozone has been monitored from 1924 to 1975 in Oxford, UK. Here, I present a century-long Oxford column ozone record, extended to the present based on re-discovered material and neighbouring series, and analyse it together with a record from Arosa, Switzerland that starts in 1926. Neither series shows a clear increase over the past 25 years but suggest stratospheric circulation. I separate chemical and dynamical effects using a regression approach and find that chemical recovery amounts to +8 DU between peak stratospheric chlorine concentrations in 1997 to 2021, consistent with model simulations. However, this trend is counteracted by a −5 DU dynamical trend. Century-long ozone records provide a window to the past dynamical, chemical and radiative state of the stratosphere and help better constrain circulation effects on ozone recovery.
Ab initio derivation of flavin hyperfine interactions for the protein magnetosensor cryptochrome
Authors: Deviers Jean , Cailliez Fabien , Gutiérrez Bernardo Zúñiga , Kattnig Daniel R. , de la Lande Aurélien
Published: June 2022

We explore the sources of variations of hyperfine coupling constant for flavin radicals in avian cryptochromes.
Chemical pressure in functional materials
Authors: Lin Kun , Li Qiang , Yu Runze , Chen Jun , Attfield J. Paul , Xing Xianran
Published: June 2022

Chemical pressure is a general and effective route for synthesizing new compounds and tuning functional materials.
Living algae detection with a PDMS-liquid chlorophyll fluorescence microfluidic chip filter and a smartphone
Authors: Liu Jianhua , Chang Hui , Zhang Xiangyu , Chen Shimeng , Song Yongxin , Li Dongqing
Published: June 2022

A PDMS-liquid chlorophyll fluorescence microfluidic chip filter for living algae detection. The filter has a top layer of crystal violet solution and a Sudan II-doped PDMS microchannel. Living algae detection with this microfluidic chip and a smartphone was achieved.
High entropy metal chalcogenides: synthesis, properties, applications and future directions
Authors: Buckingham Mark A. , Ward-O’Brien Brendan , Xiao Weichen , Li Yi , Qu Jie , Lewis David J.
Published: June 2022

In this perspective we assess the current status of high entropy metal chalcogenides, the synthetic techniques for them, the currently obtained properties and demonstrated applications and a discussion on the possible future directions.
Uniform wrapping of copper(i) oxide nanocubes by self-controlled copper-catalyzed azide–alkyne cycloaddition toward selective carbon dioxide electrocatalysis
Authors: Umeda Takuma , Kurome Takeshi , Sakatmoto Ayumu , Kubo Kazuyuki , Mizuta Tsutomu , Son Seung Uk , Kume Shoko
Published: June 2022

Cu2O nanocubes were wrapped with an extremely uniform layer through self-controlled growth on their surface, improving their CO2 reduction selectivity.
Cation polymer-induced aggregation of water-soluble Au(i)–thiolate complexes and their photoluminescence properties
Authors: Hao Naiying , Cao Yitao , Li Ruili , Lin Hongbin , Shan Huiting , Chen Tiankai , Chai Osburg Jin Huang , Yao Qiaofeng , Chen Xiaoqing , Xie Jianping
Published: June 2022

Au(i)–thiolate complexes are a new class of aggregation-induced emission (AIE) materials.
New directions in radical carbonylation chemistry: combination with electron catalysis, photocatalysis and ring-opening
Authors: Kawamoto Takuji , Fukuyama Takahide , Picard Baptiste , Ryu Ilhyong
Published: June 2022

This Feature Article summarizes our current efforts to develop new strategies for radical carbonylation, which include electron-transfer carbonylation, site-selective C(sp3)–H carbonylation by a photocatalyst and ring-opening carbonylation.
Quinoxaline-annelated hexadehydro[12]annulene: use of a new building block to construct a hydrogen-bonded hexagonal molecular network
Authors: Kobayashi Mayu , Kubo Haruka , Oketani Ryusei , Hisaki Ichiro
Published: June 2022

A new hexatopic carboxylic acid with a quinoxaline-annelated hexadehydro[12]annulene core (TQ12) was synthesized and subjected to spectroscopy for comparison with tribenzohexadehydro[12]annulene derivative (T12).
16OSTM10: a new open-shell transition metal conformational energy database to challenge contemporary semiempirical and force field methods
Authors: Otlyotov Arseniy A. , Moshchenkov Andrey D. , Cavallo Luigi , Minenkov Yury
Published: June 2022

A new database, 16OSTM10, containing 10 conformations for each of 16 non-multireference realistic-size open-shell transition metal (OSTM) complexes has been developed.
Complex nodal structure phonons formed by open and closed nodal lines in CoAsS and Na2CuP solids
Authors: Ding Guangqian , Sun Tingting , Surucu Gokhan , Surucu Ozge , Gencer Aysenur , Wang Xiaotian
Published: June 2022

The present attempt is a report on the coexistence of such open and closed nodal line phonons in two realistic solids, CoAsS and Na2CuP, based on first-principles calculations.
Synthesis and structural characterization of copper–cuprizone complexes
Authors: Pushie M. Jake , Summers Kelly L. , Nienaber Kurt H. , Pickering Ingrid J. , George Graham N.
Published: June 2022

The chemistry of copper with cuprizone has challenged chemists for over 70 years. We characterize the classical ‘blue’ product, containing Cu(iii) and hydrolyzed cuprizone, and a green multimeric Cu(ii) product, containing unhydrolyzed cuprizone.
In situsynthesis of novel type II BiOCl/CAU-17 2D/2D heterostructures with enhanced photocatalytic activity
Authors: Zhang Feihu , Xiao Xinyan , Xiao Yu
Published: June 2022

A novel BiOCl/CAU-17 2D/2D heterostructure composite was prepared byin situgrowth of ultrathin BiOCl nanosheets on the surface of CAU-17 nanorods, and showed admirable photocatalytic activity and favorable stability.
Modulating the reactivity of phosphanylidenephosphoranes towards water with Lewis acids
Authors: Dankert Fabian , Fischer Malte , Hering-Junghans Christian
Published: June 2022

Prone to manipulations: Phospha-Wittig reagents react with water to give primary phosphine oxides, which form O-coordinated Lewis acid-base adducts. Adding the Lewis acid first and water in a second step afforded protio-phosphino-phosphonium cations.
Flowmetering for microfluidics
Authors: Cavaniol C. , Cesar W. , Descroix S. , Viovy J.-L.
Published: June 2022

This review critically analyzes the variety of methods to measure microfluidic flow rates as well as the development of metrological infrastructures for this purpose.
A thermo-responsive MOF-based H2O2-in-oil “pickering emulsion in situ catalytic system” for highly efficient olefin epoxidation
Authors: Huang Bin , Jiang Wei-Ling , Han Jie , Niu Yan-Fei , Wu Hai-Hong , Zhao Xiao-Li
Published: June 2022

A thermo-responsive MOF has been designed as a highly efficient Pickering emulsifier to stabilize the H2O2-in-oil emulsion. The resultant emulsion displayed good catalytic performance in epoxidation of olefins and easy catalyst-product separation.
Superhydrophobic catalyst-wrapped fibrofelt with anti-moisture, anti-dusting and NH3-SCR properties
Authors: Liu Ping , Yang Yongling , Wang Wei , Gu Wancheng , Chen Junxu , Chen Chujun , Yu Xinquan , Zhang Youfa
Published: June 2022

Superhydrophobicity restrains the film formation of water on the catalyst surface and realizes the reversible inactivation of SO2 poisoning.
Novel A–D–A structural imidazole derivatives with charge transfer excited states: importance of molecular structure design in obtaining a “turn-on” type fluorescence probe
Authors: Liu Jin , Zheng Xiaolong , Dong Yujie , Li Weijun , Yin Maoxing , Song Qingbao , Zhang Cheng
Published: June 2022

Two A–D–A structural triphenylamine-imidazole derivatives were designed to provide a potential strategy for the development of turn-on type Fe3+ fluorescent probes.
Excited-state intramolecular proton transfer-based covalent organic framework for fluorescence anion sensing
Authors: Wang Zhitao , Huang Yanju , Wu Shuang , Li Xiu-Mei , Sun Qikun
Published: June 2022

ACOF possesses good porosity, stability, and luminescence, suggesting high sensitivity and selectivity towards fluoride anion detection.
K2S2O8-glucose mediated oxidative coupling of alcohols with indoles for synthesis of bis(indolyl)methanes in water
Authors: Indurthi Harish K. , Das Samarpita , Kumari Amita , Sharma Deepak K
Published: June 2022

We have performed K2S2O8-glucose mediated oxidative coupling of alcohols with indoles in water for synthesis of BIMs.
Nanostructured SiO2 material: synthesis advances and applications in rubber reinforcement
Authors: Muhammud Agraw Mulat , Gupta Neeraj Kumar
Published: June 2022

This review discusses recent advances in the synthesis of nanostructured SiO2 from synthetic chemicals, and biogenic and mineral ore resources, its physical characteristics, and its applications in rubber reinforcement.
Unrevealing the interaction between O2 molecules and poly(3-hexylthiophene-2,5-diyl) (P3HT)
Authors: Fernandes Marcelo , Wrasse Ernesto Osvaldo , Kawata Koyama Caio Junji , Günther Florian Steffen , Coutinho Douglas José
Published: June 2022

Stability of π-conjugated organic materials remains a critical issue for applications in which these materials and devices based on them are exposed to ambient conditions.
Multiple chemical modifications and Cd2+ adsorption characteristics of sludge-based activated carbon
Authors: Chen Jun , Dong Xiaowan , Cao Sisi , Chen Zhaoming , Yang Xiaohong , Jin Jie
Published: June 2022

The multiple chemical modifications were carried out to achieve N-doping and pore-making to modify sludge-based activated carbon (SACU–PF′). SACU–PF′ possessed abundant functional groups and high adsorption capacity of Cd2+.
SERS-based assay for multiplexed detection of cross-reactivity and persistence of antibodies against the spike of the native, P.1 and B.1.617.2 SARS-CoV-2 in non-hospitalised adults
Authors: Chisanga Malama , Stuible Matthew , Gervais Christian , L'Abbé Denis , Cass Brian , Bisson Louis , Pelletier Alex , Lord-Dufour Simon , Durocher Yves , Boudreau Denis , Trottier Sylvie , Pelletier Joelle N. , Masson Jean-Francois
Published: June 2022

Monitoring antibody response to SARS-CoV-2 is critical for assessing the humoral response, especially important considering the emergence of multiple SARS-CoV-2 variants of concern (VOCs).
Efficient electrochemical water oxidation mediated by a binuclear copper complex with a helical structure
Authors: Bai Qiuxian , Yang Xueli , Zheng Shenke , Hong Li , Dai Chang , Lin Junqi , Wang Pei , Liang Xiangming
Published: June 2022

A binuclear Cu complex [Cu2(MePy3P)2] is found to be capable of catalyzing electrochemical water oxidation under neutral conditions via the intramolecular interaction of its two Cu cores, achieving a remarkable turnover frequency of 18.04 s−1 and onset overpotential of 480 mV for oxygen evolution.
Nanotechnologies for control of pathogenic microbial biofilms
Authors: Asare Evans O. , Mun Ellina A. , Marsili Enrico , Paunov Vesselin N.
Published: June 2022

We review recently developed advanced nanotechnologies for control and prevention of microbial biofilm infections.
A zero-field single-molecule magnet with luminescence thermometry capabilities containing soft donors
Authors: Marin Riccardo , Gálico Diogo Alves , Gayfullina Rezeda , Moilanen Jani O. , Carlos Luís D. , Jaque Daniel , Murugesu Muralee
Published: June 2022

An investigation into the impact of soft donors on the optomagnetic and thermal sensing properties of lanthanide-based luminescent single-molecule magnets.
Possible regulation of Toll-like receptor 4 by lysine acetylation through LPCAT2 activity in RAW264.7 cells
Authors: Poloamina Victory Ibigo , Abate Wondwossen , Fejer Gyorgy , Jackson Simon K.
Published: June 2022

Inflammation is central to several diseases. TLR4 mediates inflammation by recognising and binding to bacterial lipopolysaccharides and interacting with other proteins in the TLR4 signalling pathway. Although there is extensive research on TLR4-mediated inflammation, there are gaps in understanding its mechanisms. Recently, TLR4 co-localised with LPCAT2, a lysophospholipid acetyltransferase. LPCAT2 is already known to influence lipopolysaccharide-induced inflammation; however, the mechanism of LPCAT2 influencing lipopolysaccharide-mediated inflammation is not understood.

The present study combined computational analysis with biochemical analysis to investigate the influence of LPCAT2 on lysine acetylation in LPS-treated RAW264.7 cells.

The results suggest for the first time that LPCAT2 influences lysine acetylation in LPS-treated RAW264.7 cells. Moreover, we detected acetylated lysine residues on TLR4. The present study lays a foundation for further research on the role of lysine acetylation on TLR4 signalling. Moreover, further research is required to characterise LPCAT2 as a protein acetyltransferase.
Insight into the structure and molecular mode of action of plant paired NLR immune receptors
Authors: Xi Yuxuan , Cesari Stella , Kroj Thomas
Published: June 2022

The specific recognition of pathogen effectors by intracellular nucleotide-binding domain and leucine-rich repeat receptors (NLRs) is an important component of plant immunity. NLRs have a conserved modular architecture and can be subdivided according to their signaling domain that is mostly a coiled-coil (CC) or a Toll/Interleukin1 receptor (TIR) domain into CNLs and TNLs. Single NLR proteins are often sufficient for both effector recognition and immune activation. However, sometimes, they act in pairs, where two different NLRs are required for disease resistance. Functional studies have revealed that in these cases one NLR of the pair acts as a sensor (sNLR) and one as a helper (hNLR). The genes corresponding to such resistance protein pairs with one-to-one functional co-dependence are clustered, generally with a head-to-head orientation and shared promoter sequences. sNLRs in such functional NLR pairs have additional, non-canonical and highly diverse domains integrated in their conserved modular architecture, which are thought to act as decoys to trap effectors. Recent structure–function studies on the Arabidopsis thaliana TNL pair RRS1/RPS4 and on the rice CNL pairs RGA4/RGA5 and Pik-1/Pik-2 are unraveling how such protein pairs function together. Focusing on these model NLR pairs and other recent examples, this review highlights the distinctive features of NLR pairs and their various fascinating mode of action in pathogen effector perception. We also discuss how these findings on NLR pairs pave the way toward improved plant disease resistance.
Remote Monitoring of Adult Cochlear Implant Recipients Using Digits-in-Noise Self-Testing
Authors: van der Mescht Lize , le Roux Talita , Mahomed-Asmail Faheema , De Sousa Karina C. , Swanepoel De Wet
Published: June 2022

Purpose:

The COVID-19 pandemic has accelerated the uptake and scope of telehealth. This study determined the accuracy and reliability of a smartphone digits-in-noise (DIN) test when conducted by adult cochlear implant (CI) recipients in a simulated home environment compared with a clinic setup. Perceptions of remote monitoring using speech-in-noise (SIN) testing were also explored.

Method:

Thirty-three adult CI recipients between 18 and 78 years of age (
M
= 46.7,
SD
= ±20.4) conducted the DIN test in a simulated home environment and a clinic setup. Test–retest reliability across the two environments and comparisons between test settings were evaluated. A survey explored the perceptions of adult CI recipients regarding remote monitoring and use of the DIN self-test.

Results:

Mean-aided speech reception thresholds (SRTs) in the clinic and simulated home environment test conditions and clinic and simulated home environment retest conditions did not differ significantly. Mean test–retest SRTs in the clinic and simulated home environment were significantly different (
p
< .05). High intraclass correlation coefficient and low standard error of measurement scores reflected good and excellent reliability between test–retest measures and between clinic and simulated home environment measures. Most participants were positive about the possibility of using the DIN test at home to self-assess speech perception, although some test adjustments such as including training items and a less adverse starting signal-to-noise ratio may be required.

Conclusion:

Adult CI recipients can use the smartphone DIN test to self-assess aided SIN performance in a home environment with accuracy and reliability relatively similar to clinic testing.

Supplemental Material:

https://doi.org/10.23641/asha.20044418
Audiology, Medicine, and Pharmacy Interprofessional Preliminary Interviews and Discussions: Improving Hearing Health Care in Rural Alabama
Authors: Brothers Emma B. , Hay-McCutcheon Marcia J. , Hughes Peter J. , Friend M. Louanne
Published: June 2022

Purpose:

Access and affordability of hearing health care varies depending on residency and individual financial means. Those living in rural areas have limited health care resources and experience higher levels of poverty compared to those living in urban regions. The purpose of this study was to determine the feasibility of interprofessional collaboration among physicians and audiologists and pharmacists and audiologists to improve access and affordability of hearing health care in rural communities.

Method:

Sixteen family physicians and medicine residents and 15 community pharmacists participated in the study. Physicians and residents completed an online survey to assess education regarding hearing health care and their understanding of hearing loss intervention. They also participated in small virtual focus group discussions. Pharmacists participated in virtual discussions based on guided questions.

Results:

The discussions with both physicians and pharmacists highlighted the need for more education, resources, and awareness of the negative impact of hearing loss on overall quality of life. Comments from these discussions were placed within the socio-ecological model of health behavior to increase understanding of hearing health behavior.

Conclusions:

Increased collaboration among medical professionals has the potential to improve access to hearing health care for those living in audiologically underserved regions of the country. Further research will identify how to increase effective and sustainable hearing health care resources in rural communities.
Emotional Regulation and Its Influence on the Experience of Stuttering Across the Life Span
Authors: Tichenor Seth E. , Walsh Bridget M. , Gerwin Katelyn L. , Yaruss J. Scott
Published: June 2022

Purpose:

This study evaluated the relationship between
emotional regulation
(ER) and adverse impact related to stuttering across the developmental spectrum, in preschool and school-age children, adolescents, and adults who stutter. An additional aim examined how these variables relate to the ways that individuals approach speaking (i.e., their agreement on whether their goal is to speak fluently).

Method:

Participants were the parents of 60 preschoolers and younger school-age children (ages 3–9 years), 95 school-age children and adolescents who stutter (ages 7–18 years), and 180 adults who stutter (ages 18–81 years). All participants completed surveys with age-appropriate measures examining ER and the adverse impact of stuttering. Older children and adults who stutter also answered questions regarding their goals when speaking. Multiple regression and ordinal logistic regression were used to examine relationships among ER, adverse impact related to stuttering, and goal when speaking.

Results:

In preschool children, adverse impact was significantly predicted by a parent-reported measure of ER skills; in school-age children and adults, adverse impact was significantly predicted by measures of the ER strategies cognitive reappraisal (CR) and expressive suppression. Less frequent use of CR by adults was significantly associated with an increased likelihood of having “not stuttering” as a goal when speaking. Differences in the significance and magnitude of these relationships were found across the life span.

Discussion:

For both children and adults who stutter, ER is a significant factor related to the adverse impact of stuttering; the relationship between ER and adverse impact may change over development. Accounting for individual differences in ER can improve understanding of why a person copes with stuttering in the ways they do, and this has notable implications for individualizing intervention for both children and adults who stutter.

Supplemental Material:

https://doi.org/10.23641/asha.20044469
The Dimensionality of Language and Literacy in the School-Age Years
Authors: Nelson Nickola Wolf , Plante Elena , Anderson Michele , Applegate E. Brooks
Published: June 2022

Purpose:

This was an investigation of the dimensionality of oral and written language to test the hypothesis that a two-factor model with sound/word and sentence/discourse language levels would best fit language and literacy data for a population-based sample in the school-age years.

Method:

A stratified secondary data set of 1,500 participants was drawn randomly from a larger nationally representative U.S. data set (
N
= 1,853) gathered during standardization of the Test of Integrated Language and Literacy Skills. A sample of 254 students with prior diagnoses of language and literacy disorders (LLD) was drawn from the full data set. Confirmatory factor analysis was used to compare the hypothesized two-factor model with other theoretically possible models.

Results:

The hypothesized two-factor language-levels model had an acceptable-to-good fit to the full data set, as did the three-factor model, with verbal memory added. High interfactor correlation between verbal memory and sentence/discourse constructs, as well as a preference for parsimony, led to the acceptance of the two-factor model as best. This language-levels model had a good fit to the data at ages 8–11 years, and an excellent fit at ages 12–18 years, but only a poor fit for ages 6–7 years (yet still better than other two-factor or unitary models). It had a reasonable fit for students with LLD, although the three-factor model fit their data slightly better.

Conclusions:

Oral and written language abilities during the school-age years are best explained by a two-factor model with sound/word and sentence/discourse language levels and memory as a contributing factor. Implications for identifying and treating language and literacy disorders as multidimensional rather than categorical are discussed.
Hyperspectral anomaly detection via memory‐augmented autoencoders
Authors: Zhao Zhe , Sun Bangyong
Published: June 2022

Recently, the autoencoder (AE) based method plays a critical role in the hyperspectral anomaly detection domain. However, due to the strong generalised capacity of AE, the abnormal samples are usually reconstructed well along with the normal background samples. Thus, in order to separate anomalies from the background by calculating reconstruction errors, it can be greatly beneficial to reduce the AE capability for abnormal sample reconstruction while maintaining the background reconstruction performance. A memory‐augmented autoencoder for hyperspectral anomaly detection (MAENet) is proposed to address this challenging problem. Specifically, the proposed MAENet mainly consists of an encoder, a memory module, and a decoder. First, the encoder transforms the original hyperspectral data into the low‐dimensional latent representation. Then, the latent representation is utilised to retrieve the most relevant matrix items in the memory matrix, and the retrieved matrix items will be used to replace the latent representation from the encoder. Finally, the decoder is used to reconstruct the input hyperspectral data using the retrieved memory items. With this strategy, the background can still be reconstructed well while the abnormal samples cannot. Experiments conducted on five real hyperspectral anomaly data sets demonstrate the superiority of the proposed method.
Case study of innovations in commercial West African family fish farming that led to an ecological intensification
Authors: Lethimonnier Delphine , Bentz Barbara , Mikolasek Olivier , Oswald Marc
Published: June 2022

Original fish-farming developments occur in west-central and south-western Côte d’Ivoire and in the forest area of the Republic of Guinea. Oreochromis niloticus and Heterotis niloticus are the main species produced in dam ponds with little or no feeding. Flooded rice is often grown here. The products supply local markets. In this article, we seek to understand the innovation trajectories that have led to three practices characteristic of these systems: ‘large tilapia production with little feed in dam ponds’, ‘tilapia and Heterotis polyculture’ and ‘flooded rice cultivation in ponds’. We then assess the contribution of these innovations to ecological intensification. The practices that form the basis for current developments were developed in the 1990s on family farms. The suitability of technical choices at certain key moments depended entirely on the fish farmers who judged the tested techniques on their own terms. Our assessment shows that these farmers have contributed positively to ecological intensification. They suffer from recurrent cash flow problems and have thus natural resources and ecological functions in their fish farming system: stocking density to make the best use of the natural trophic resources, improved by polyculture and additional rice production that is more efficient than traditional lowland rice production. The promotion of reliance on existing know-how and anchoring in local culture strengthen the contribution to these systems’ ecological intensification. The analysis shows that this development of integrated commercial fish farming in family farms questions ecological intensification and innovation in aquaculture.