bluuebunny/crossref_metadata_2025 huggingface dataset:
Metamorphic Facies Distribution in the Western Alps Predicted by Petrological‐Thermomechanical Models of Syn‐Convergent Exhumation
Authors: Vaughan‐Hammon Joshua D. , Candioti Lorenzo G. , Duretz Thibault , Schmalholz Stefan M.
Published: July 2022

The distribution of metamorphic rocks throughout the western European Alps indicates subduction‐related metamorphism. However, processes by which high‐grade metamorphic rocks exhume remain disputed. Here, we present two‐dimensional petrological‐thermomechanical numerical models to investigate the metamorphic facies evolution during orogenesis. We model closure of an oceanic basin with exhumed mantle bounded by passive margins. To ensure thermomechanical feasibility, we model also this basin configuration. Before convergence, we replace the uppermost portions of exhumed mantle with serpentinite. Location and orientation of subduction are not predefined and subduction initiates self‐consistently during convergence. A weak subduction interface develops if serpentinite is initially thick enough (here 6 km) and can distribute along the interface. Syn‐convergent exhumation of (ultra)high‐pressure rocks occurs with minor erosion, enabled by local upper‐plate extension and a crustal‐scale normal‐sense shear zone. We calculate metamorphic facies evolutions with peak P and T values of 10,000 markers. Results show (a) peak P and T values agreeing with estimates from natural rocks, (b) exhumed, structurally coherent regions with identical metamorphic facies, indicating absence of significant mixing (mélange), (c) facies distributions corresponding to that of the Western Alps, which is from eclogite to blueschist to greenschist facies when going from internal to external domains, and (d) exhumation velocities larger than burial velocities. Models with stronger subduction interface (3‐km serpentinite thickness) develop an orogenic wedge with vertical metamorphic gradient and minor exhumation. Syn‐convergent exhumation is feasible for the Western Alps and calculating metamorphic facies distribution is useful when testing the applicability of models to natural orogens.
Web‐Based Data to Quantify Meteorological and Geographical Effects on Heat Stroke: Case Study in China
Authors: Han Qinmei , Liu Zhao , Jia Junwen , Anderson Bruce T. , Xu Wei , Shi Peijun
Published: July 2022

Heat stroke is a serious heat‐related health outcome that can eventually lead to death. Due to the poor accessibility of heat stroke data, the large‐scale relationship between heat stroke and meteorological factors is still unclear. This work aims to clarify the potential relationship between meteorological variables and heat stroke, and quantify the meteorological threshold that affected the severity of heat stroke. We collected daily heat stroke search index (HSSI) and meteorological data for the period 2013–2020 in 333 Chinese cities to analyze the relationship between meteorological variables and HSSI using correlation analysis and Random forest (RF) model. Temperature and relative humidity (RH) accounted for 62% and 9% of the changes of HSSI, respectively. In China, cases of heat stroke may start to occur when temperature exceeds 36°C and RH exceeds 58%. This threshold was 34.5°C and 79% in the north of China, and 36°C and 48% in the south of China. Compared to RH, the threshold of temperature showed a more evident difference affected by altitude and distance from the ocean, which was 35.5°C in inland cities and 36.5°C in coastal cities; 35.5°C in high‐altitude cities and 36°C in low‐altitude cities. Our findings provide a possible way to analyze the interaction effect of meteorological variables on heat‐related illnesses, and emphasizes the effects of geographical environment. The meteorological threshold quantified in this research can also support policymaker to establish a better meteorological warning system for public health.
Ambient‐Noise Tomography of the Ligurian‐Provence Basin Using the AlpArray Onshore‐Offshore Network: Insights for the Oceanic Domain Structure
Authors: Nouibat A. , Stehly L. , Paul A. , Schwartz S. , Rolland Y. , Dumont T. , Crawford W. C. , Brossier R. ,   Cifalps Team, and AlpArray Working Group
Published: July 2022

We derive a three‐dimensional shear‐wave velocity model of the Ligurian‐Provence back‐arc basin (Northwestern Mediterranean Sea) using ocean‐bottom seismometers (AlpArray OBSs) and land stations from permanent and temporary seismic networks. The quality of OBS continuous records is enhanced by a specific processing that reduces instrumental and seabed‐induced noises (transients, tilt, compliance). To further improve the resolution of ambient‐noise tomography in the offshore area, we compute the Rayleigh‐wave part of the Green functions for OBS‐OBS pairs by using onshore stations as virtual sources. 2‐D group‐velocity maps and their uncertainties are computed in the 4–150 s period range by a transdimensional inversion of Rayleigh‐wave travel times. The dispersion data and their uncertainties are inverted for a probabilistic 3‐D shear‐wave velocity model that includes probability densities for Vs and for the depth of layer interfaces. The probabilistic model is refined by a linearized inversion that accounts for the water layer in the Ligurian Sea. Our S‐wave velocity and layer boundary probability models correspond well to a recent, high‐resolution P‐wave velocity cross‐section derived from controlled‐source seismic profiling along the Ligurian‐Provence basin axis. A joint interpretation of the P‐ and S‐wave velocity sections along this profile reveals a thin, anomalous oceanic crust of low P‐wave velocities but high S‐wave velocities, intruded by a gabbroic body. The illuminated part of the upper mantle appears to be devoid of serpentinization.
How Small Slip Surfaces Evolve Into Large Submarine Landslides—Insight From 3D Numerical Modeling
Authors: Zhang W. , Puzrin A. M.
Published: July 2022

Submarine landslides are a major marine geohazard affecting resilience of offshore infrastructure and coastal urban centers. Attention has previously been paid to quantifying post‐failure dynamics of catastrophic submarine debris flows and their consequences. However, pre‐failure initiation and growth of a small slip surface evolving into a large submarine landslide are still less understood. This study aims to explore the physical failure mechanism of submarine landslides initiated from small slip surfaces and to quantify key features of failure evolution. They are achieved by modeling the entire three‐dimensional (3D) landslide evolution, integrating the initiation and growth of slip surface, failure of slab above the slip surface, post‐failure mass movement and re‐deposition of transported sediments, using a novel numerical method. The characteristics of the slip surface growth within a favored layer and the patterns of the slab failure in the overlying layer have been thoroughly discussed. The transition from the pre‐failure slip surface growth to the diverse post‐failure mass movement are first observed and discussed with the 3D geometry effects, revealing the complex cascading mass movement mechanisms. The criterion for unstable growth of a planar slip surface and critical condition for slab failure are proposed. The findings from the study facilitate scientific understanding of the evolution of historic events and help safeguarding offshore developments against submarine landslide recurrence.
Controllable oscillated spin Hall effect of Bessel beam realized by liquid crystal Pancharatnam-Berry phase elements
Authors: Liu Sheng , Qi Shuxia , Li Yanke , Wei Bingyan , Li Peng , Zhao Jianlin
Published: July 2022

Pancharatnam–Berry (PB) phase has become an effective tool to realize the photonic spin Hall effect (PSHE) in recent years, due to its capacity of enhancing the spin-orbit interaction. Various forms of PSHEs have been proposed by tailoring the PB phase of light, however, the propagation trajectory control of the separated spin states has not been reported. In this paper, we realize the oscillated spin-dependent separation by using the well-designed PB phase optical elements based on the transverse-to-longitudinal mapping of Bessel beams. Two typical oscillated PSHEs, i.e., the spin states are circulated and reversed periodically, are experimentally demonstrated with two PB phase elements fabricated with liquid crystal. The displacements and periods of these oscillations can be controlled by changing the transverse vector of the input Bessel beam. The proposed method offers a new degree of freedom to manipulate the spin-dependent separation, and provides technical supports for the application in spin photonics.
In vivo correlation of serotonin transporter and 1B receptor availability in the human brain: a PET study
Authors: Svensson Jonas E. , Tiger Mikael , Plavén-Sigray Pontus , Halldin Christer , Schain Martin , Lundberg Johan
Published: July 2022

Synaptic serotonin levels in the brain are regulated by active transport into the bouton by the serotonin transporter, and by autoreceptors, such as the inhibitory serotonin (5-HT) 1B receptor which, when activated, decreases serotonin release. Animal studies have shown a regulatory link between the two proteins. Evidence of such coupling could translate to an untapped therapeutic potential in augmenting the effect of selective serotonin reuptake inhibitors through pharmacological modulation of 5-HT1B receptors. Here we will for the first time in vivo examine the relationship between 5-HT1B receptors and serotonin transporters in the living human brain. Seventeen healthy individuals were examined with PET twice, using the radioligands [11C]AZ10419369 and [11C]MADAM for quantification of the 5-HT1B receptor and the 5-HT transporter, respectively. The binding potential was calculated for a set of brain regions, and the correlations between the binding estimates of the two radioligands were studied. [11C]AZ10419369 and [11C]MADAM binding was positively correlated in all examined brain regions. In most cortical regions the correlation was strong, e.g., frontal cortex, r(15) = 0.64, p = 0.01 and parietal cortex, r(15) = 0.8, p = 0.0002 while in most subcortical regions, negligible correlations was observed. Though the correlation estimates in cortex should be interpreted with caution due to poor signal to noise ratio of [11C]MADAM binding in these regions, it suggests a link between two key proteins involved in the regulation of synaptic serotonin levels. Our results indicate a need for further studies to address the functional importance of 5-HT1B receptors in treatment with drugs that inhibit serotonin reuptake.
No replication of previously reported association with genetic variants in the T cell receptor alpha (TRA) locus for myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS)
Authors: Ueland Marthe , Hajdarevic Riad , Mella Olav , Strand Elin B. , Sosa Daisy D. , Saugstad Ola D. , Fluge Øystein , Lie Benedicte A. , Viken Marte K.
Published: July 2022

Myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) is a disease with a variety of symptoms such as post-exertional malaise, fatigue, and pain, but where aetiology and pathogenesis are unknown. An increasing number of studies have implicated the involvement of the immune system in ME/CFS. Furthermore, a hereditary component is suggested by the reported increased risk for disease in relatives, and genetic association studies are being performed to identify potential risk variants. We recently reported an association with the immunologically important human leucocyte antigen (HLA) genes HLA-C and HLA-DQB1 in ME/CFS. Furthermore, a genome-wide genetic association study in 42 ME/CFS patients reported significant association signals with two variants in the T cell receptor alpha (TRA) locus (P value <5 × 10−8). As the T cell receptors interact with the HLA molecules, we aimed to replicate the previously reported findings in the TRA locus using a large Norwegian ME/CFS cohort (409 cases and 810 controls) and data from the UK biobank (2105 cases and 4786 controls). We investigated numerous SNPs in the TRA locus, including the two previously ME/CFS-associated variants, rs11157573 and rs17255510. No associations were observed in the Norwegian cohort, and there was no significant association with the two previously reported SNPs in any of the cohorts. However, other SNPs showed signs of association (P value <0.05) in the UK Biobank cohort and meta-analyses of Norwegian and UK biobank cohorts, but none survived correction for multiple testing. Hence, our research did not identify any reliable associations with variants in the TRA locus.
Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s
Authors: Li Linjie , Han Pu , Huang Baihan , Xie Yufeng , Li Weiwei , Zhang Di , Han Pengcheng , Xu Zepeng , Bai Bin , Zhou Jingya , Kang Xinrui , Li Xiaomei , Zheng Anqi , Zhang Rong , Qiao Shitong , Zhao Xin , Qi Jianxun , Wang Qihui , Liu Kefang , Gao George Fu
Published: July 2022

The Omicron variant of SARS-CoV-2 carries multiple unusual mutations, particularly in the receptor-binding domain (RBD) of the spike (S) protein. Moreover, host-adapting mutations, such as residues 493, 498, and 501, were also observed in the Omicron RBD, which indicates that it is necessary to evaluate the interspecies transmission risk of the Omicron variant. Herein, we evaluated the interspecies recognition of the Omicron BA.1 and Delta RBDs by 27 ACE2 orthologs, including humans. We found that Omicron BA.1 expanded its receptor binding spectra to palm-civet, rodents, more bats (least horseshoe bat and greater horseshoe bat) and lesser hedgehog tenrec. Additionally, we determined the cryo-electron microscopy (cryo-EM) structure of the Omicron BA.1 S protein complexed with mouse ACE2 (mACE2) and the crystal structure of Omicron RBD complexed with palm-civet ACE2 (cvACE2). Several key residues for the host range have been identified. These results suggest that surveillance should be enhanced on the Omicron variant for its broader-species receptor binding to prevent spillover and expansion of reservoir hosts for a prolonged pandemic.
A novel lineage of osteoprogenitor cells with dual epithelial and mesenchymal properties govern maxillofacial bone homeostasis and regeneration after MSFL
Authors: Weng Yuteng , Wang Haicheng , Wu Di , Xu Shuyu , Chen Xiaofan , Huang Jie , Feng Yanhuizhi , Li Lin , Wang Zuolin
Published: July 2022

Bone regeneration originates from proliferation and differentiation of osteoprogenitors via either endochondral or intramembranous ossification; and the regeneration capacities decline with age and estrogen loss. Maxillary sinus floor lifting (MSFL) is a commonly used surgical procedure for guiding bone regeneration in maxilla. Radiographic analysis of 1210 clinical cases of maxilla bone regeneration after MSFL revealed that the intrasinus osteogenic efficacy was independent of age and gender, however; and this might be related to the Schneiderian membrane that lines the sinus cavity. In view of the particularity of this biological process, our present study aimed to elucidate the underlying mechanism of MSFL-induced bone regeneration. We first established a murine model to simulate the clinical MSFL. By single-cell RNA-sequencing and flow cytometry-based bulk RNA-sequencing, we identified a novel Krt14+Ctsk+ subset of cells that display both epithelial and mesenchymal properties and the transcriptomic feature of osteoprogenitors. Dual recombinases-mediated lineage tracing and loss-of-function analyses showed that these Krt14+Ctsk+ progenitors contribute to both MSFL-induced osteogenesis and physiological bone homeostasis by differentiating into Krt14–Ctsk+ descendants which show robust osteogenic capacity. In addition, we detected a similar population of Krt14+Ctsk+ cells in human samples of Schneiderian membrane, which show a highly similar osteogenic potential and transcriptomic feature to the corresponding cells in mice. The identification of this Krt14+Ctsk+ population, featured by osteoprogenitor characteristics and dual epithelial–mesenchymal properties, provides new insight into the understanding of bone regeneration and may open more possibilities for clinical applications.
Gait analysis dataset of healthy volunteers and patients before and 6 months after total hip arthroplasty
Authors: Bertaux Aurélie , Gueugnon Mathieu , Moissenet Florent , Orliac Baptiste , Martz Pierre , Maillefert Jean-Francis , Ornetti Paul , Laroche Davy
Published: July 2022

Clinical gait analysis is a promising approach for quantifying gait deviations and assessing the impairments altering gait in patients with osteoarthritis. There is a lack of consensus on the identification of kinematic outcomes that could be used for the diagnosis and follow up in patients. The proposed dataset has been established on 80 asymptomatic participants and 106 patients with unilateral hip osteoarthritis before and 6 months after arthroplasty. All volunteers walked along a 6 meters straight line at their self-selected speed. Three dimensional trajectories of 35 reflective markers were simultaneously recorded and Plugin Gait Bones, angles, Center of Mass trajectories and ground reaction forces were computed. Gait video recordings, when available, anthropometric and demographic descriptions are also available. A minimum of 10 trials have been made available in the weka file format and C3D file to enhance the use of machine learning algorithms. We aim to share this dataset to facilitate the identification of new movement-related kinematic outcomes for improving the diagnosis and follow up in patients with hip OA.
An atlas of endogenous DNA double-strand breaks arising during human neural cell fate determination
Authors: Ballarino Roberto , Bouwman Britta A. M. , Agostini Federico , Harbers Luuk , Diekmann Constantin , Wernersson Erik , Bienko Magda , Crosetto Nicola
Published: July 2022

Endogenous DNA double-strand breaks (DSBs) occurring in neural cells have been implicated in the pathogenesis of neurodevelopmental disorders (NDDs). Currently, a genomic map of endogenous DSBs arising during human neurogenesis is missing. Here, we applied in-suspension Breaks LabelingIn Situand Sequencing (sBLISS), RNA-Seq, and Hi-C to chart the genomic landscape of DSBs and relate it to gene expression and genome architecture in 2D cultures of human neuroepithelial stem cells (NES), neural progenitor cells (NPC), and post-mitotic neural cells (NEU). Endogenous DSBs were enriched at the promoter and along the gene body of transcriptionally active genes, at the borders of topologically associating domains (TADs), and around chromatin loop anchors. NDD risk genes harbored significantly more DSBs in comparison to other protein-coding genes, especially in NEU cells. We provide sBLISS, RNA-Seq, and Hi-C datasets for each differentiation stage, and all the scripts needed to reproduce our analyses. Our datasets and tools represent a unique resource that can be harnessed to investigate the role of genome fragility in the pathogenesis of NDDs.
Effects of yoga on cardiometabolic risks and fetomaternal outcomes are associated with serum nitric oxide in gestational hypertension: a randomized control trial
Authors: Karthiga Kuzhanthaivelu , Pal Gopal Krushna , Dasari Papa , Nanda Nivedita , Velkumary Subramanian , Chinnakali Palanivel , Renugasundari Manoharan , Harichandrakumar K. T.
Published: July 2022

Gestational hypertension (GH) is associated with adverse cardiometabolic and pregnancy outcomes. Though yoga is known to be beneficial in pregnancy, the effects of yoga rendered for twenty weeks starting from 16th week of gestation in pregnant women having risk of GH on the incidence of hypertension, cardiometabolic risks and fetomaternal outcomes have not been studied. A randomized control trial was conducted on 234 pregnant women having risk of GH receiving standard antenatal care (Control group, n = 113), and receiving standard care + yoga (Study group, n = 121). Interventions were given for twenty weeks starting at 16th week of gestation. Baroreflex sensitivity (BRS), heart rate variability (HRV), insulin resistance, lipid-risk factors, and markers of inflammation, oxidative stress and vascular endothelial dysfunction (VED) were assessed before and after intervention. Incidence of new-onset hypertension, level of cardiometabolic risks at 36th week, and fetomaternal-neonatal outcomes in the perinatal period, were noted. The link of hypertension, pregnancy outcomes and cardiometabolic risks with nitric oxide (NO), the marker of VED was assessed by analysis of covariance, Pearson’s correlations, and multilinear and logistic regressions. In study group, 6.61% women developed hypertension compared to 38.1% in the control group following 20-week intervention and there was significant decrease in risk of developing GH (RR, 2.65; CI 1.42–4.95). There was less-painful delivery, decreased duration of labor, increased neonatal birthweight and Apgar score in study group. Increase in total power of HRV (β = 0.187, p = 0.024), BRS (β = 0.305, p < 0.001), and decrease in interleukin-6 (β =  − 0.194, p = 0.022) had significant association with increased NO. Twenty weeks of practice of yoga during pregnancy decreases the incidence of hypertension, improves fetomaternal outcomes, and reduces cardiometabolic risks in pregnant women having risk of GH. Decreased blood pressure, increased HRV, BRS and birth weight and decreased inflammation were associated with improved endothelial function.

Trial registration: Clinical Trials Registry of India (CTRI), registration number: CTRI/2017/11/010608, on 23.11.2017.
Cartilage thickness and bone shape variations as a function of sex, height, body mass, and age in young adult knees
Authors: Schneider Marco Tien-Yueh , Rooks Nynke , Besier Thor
Published: July 2022

The functional relationship between bone and cartilage is modulated by mechanical factors. Scarce data exist on the relationship between bone shape and the spatial distribution of cartilage thickness. The aim of the study was to characterise the coupled variation in knee bone morphology and cartilage thickness distributions in knees with healthy cartilage and investigate this relationship as a function of sex, height, body mass, and age. MR images of 51 knees from young adults (28.4 ± 4.1 years) were obtained from a previous study and used to train a statistical shape model of the femur, tibia, and patella and their cartilages. Five multiple linear regression models were fitted to characterise morphology as a function of sex, height, body mass, and age. A logistic regression classifier was fitted to characterise morphological differences between males and females, and tenfold cross-validation was performed to evaluate the models’ performance. Our results showed that cartilage thickness and its distribution were coupled to bone morphology. The first five shape modes captured over 90% of the variance and described coupled changes to the bone and spatial distribution of cartilage thickness. Mode 1 (size) was correlated to sex (p < 0.001) and height (p < 0.0001). Mode 2 (aspect ratio) was also correlated to sex (p = 0.006) and height (p = 0.017). Mode 4 (condylar depth) was correlated to sex only (p = 0.024). A logistic regression model trained on modes 1, 2, and 4 could classify sex with an accuracy of 92.2% (95% CI [81.1%, 97.8%]). No other modes were influenced by sex, height, body mass, or age. This study demonstrated the coupled relationship between bone and cartilage, showing that cartilage is thicker with increased bone size, diaphysis size, and decreased femoral skew. Our results show that sex and height influence bone shape and the spatial distribution of cartilage thickness in a healthy young adult population, but body mass and age do not.
Differential chromatin accessibility in peripheral blood mononuclear cells underlies COVID-19 disease severity prior to seroconversion
Authors: Giroux Nicholas S. , Ding Shengli , McClain Micah T. , Burke Thomas W. , Petzold Elizabeth , Chung Hong A. , Rivera Grecia O. , Wang Ergang , Xi Rui , Bose Shree , Rotstein Tomer , Nicholson Bradly P. , Chen Tianyi , Henao Ricardo , Sempowski Gregory D. , Denny Thomas N. , De Ussel Maria Iglesias , Satterwhite Lisa L. , Ko Emily R. , Ginsburg Geoffrey S. , Kraft Bryan D. , Tsalik Ephraim L. , Shen Xiling , Woods Christopher W.
Published: July 2022

SARS-CoV-2 infection triggers profound and variable immune responses in human hosts. Chromatin remodeling has been observed in individuals severely ill or convalescing with COVID-19, but chromatin remodeling early in disease prior to anti-spike protein IgG seroconversion has not been defined. We performed the Assay for Transposase-Accessible Chromatin using sequencing (ATAC-seq) and RNA-seq on peripheral blood mononuclear cells (PBMCs) from outpatients with mild or moderate symptom severity at different stages of clinical illness. Early in the disease course prior to IgG seroconversion, modifications in chromatin accessibility associated with mild or moderate symptoms were already robust and included severity-associated changes in accessibility of genes in interleukin signaling, regulation of cell differentiation and cell morphology. Furthermore, single-cell analyses revealed evolution of the chromatin accessibility landscape and transcription factor motif accessibility for individual PBMC cell types over time. The most extensive remodeling occurred in CD14+ monocytes, where sub-populations with distinct chromatin accessibility profiles were observed prior to seroconversion. Mild symptom severity was marked by upregulation of classical antiviral pathways, including those regulating IRF1 and IRF7, whereas in moderate disease, these classical antiviral signals diminished, suggesting dysregulated and less effective responses. Together, these observations offer novel insight into the epigenome of early mild SARS-CoV-2 infection and suggest that detection of chromatin remodeling in early disease may offer promise for a new class of diagnostic tools for COVID-19.
A single session of exercise reduces blood pressure reactivity to stress: a systematic review and meta-analysis
Authors: Mariano Igor M. , Amaral Ana Luiza , Ribeiro Paula A. B. , Puga Guilherme M.
Published: July 2022

Stressful situations are common in everyday life and disturb homeostasis. So, an exercise session is a strategy to mitigate blood pressure (BP) peaks in response to stress (i.e., BP reactivity), decreasing the cardiovascular risk. This is a systematic review and meta-analysis that aims to verify the effects of a single session of physical exercises on BP reactivity to stress in adults. The searches were performed in digital databases (MEDLINE, LILACS, EMBASE, SPORTDiscus, and PsycInfo) and 29 studies were included, totaling 795 individuals (quantitative analysis: k = 25, n = 659). As for exercise characteristics, 21 of the 29 studies focused on aerobic exercises, and 23 studies focused on low to moderate intensities. As for the stress tests, we have them in the following order from the most to the least frequent: stroop color and word test, cold pressor test, arithmetic test, public speaking, handgrip, trier social stress test, and study task. Favorable metanalytic results (standardized mean differences through random-effects approach) for the exercises were found, with attenuated reactivity in systolic BP (pooled effect size = − 0.38 [− 0.49; − 0.27], representing average reductions of 3.7 ± 3.8 mmHg), diastolic BP (pooled effect size = − 0.51 [− 0.70; − 0.33], representing average reductions of 2.9 ± 3.7 mmHg), and mean BP (pooled effect size = − 0.51 [− 0.72; − 0.31], representing average reductions of 4.1 ± 3.3 mmHg). So, acute physical exercise lowers systolic, diastolic, and mean blood pressure reactivity in response to stressor tasks. However, given the small magnitude of effects, the clinical relevance of this result must be interpreted with caution and be better explored.
Edge betweenness centrality as a failure predictor in network models of structurally disordered materials
Authors: Pournajar Mahshid , Zaiser Michael , Moretti Paolo
Published: July 2022

Network theoretical measures such as geodesic edge betweenness centrality (GEBC) have been proposed as failure predictors in network models of load-driven materials failure. Edge betweenness centrality ranks which links are significant, based on the fraction of shortest paths that pass through the links between network nodes. We study GEBC as a failure predictor for two-dimensional fuse network models of load transmission in structurally disordered materials. We analyze the evolution of edge betweenness centrality in the run-up to failure and the correlation between GEBC and failure propensity for both hierarchical and non-hierarchical networks exhibiting various degrees of disorder. We observe a non trivial relationship between GEBC and failure propensity, which suggests that the idea of GEBC as a useful failure predictor needs to be strongly qualified.
Prospective assessment using 18F-FDG PET/CT as a novel predictor for early response to PD-1 blockade in non-small-cell lung cancer
Authors: Yamaguchi Ou , Kaira Kyoichi , Naruse Ichiro , Umeda Yukihiro , Honda Takeshi , Watanabe Satoshi , Ichikawa Kosuke , Tateishi Kazunari , Kasahara Norimitsu , Higuchi Tetsuya , Hashimoto Kosuke , Shinomiya Shun , Miura Yu , Shiono Ayako , Mouri Atsuto , Imai Hisao , Iizuka Kunihiko , Ishizuka Tamotsu , Minato Koichi , Suda Satoshi , Kagamu Hiroshi , Mori Keita , Kuji Ichiei , Seki Nobuhiko
Published: July 2022

Anti-programmed death-1 (PD-1) blockade is a standard treatment for advanced non-small-cell lung cancer (NSCLC). However, no appropriate modality exists for monitoring its therapeutic response immediately after initiation. Therefore, we aimed to elucidate the clinical relevance of 18F-FDG PET/CT versus CT in predicting the response to PD-1 blockade in the early phase. This prospective study included a total of 54 NSCLC patients. 18F-FDG PET/CT was performed at 4 weeks and 9 weeks after PD-1 blockade monotherapy. Maximum standardized uptake values (SULmax), metabolic tumor volume (MTV), and total lesion glycolysis (TLG) were evaluated. Among all patients, partial metabolic response and progressive metabolic disease after PD-1 blockade were observed in 35.2% and 11.1% on SULmax, 22.2% and 51.8% on MTV, and 27.8% and 46.3% on TLG, respectively, whereas a partial response (PR) and progressive disease (PD), respectively, based on RECIST v1.1 were recognized in 35.2% and 35.2%, respectively. The predictive probability of PR (MTV: 57.9% vs. 21.1%, p = 0.044; TLG: 63.2% vs. 21.1%, p = 0.020) and PD (MTV: 78.9% vs. 47.3%, p = 0.002; TLG: 73.7% vs. 21.1%, p = 0.007) detected based on RECIST at 4 weeks after PD-1 blockade initiation was significantly higher using MTV or TLG on 18F-FDG uptake than on CT. Multivariate analysis revealed that metabolic response by MTV or TLG at 4 weeks was an independent factor for response to PD-1 blockade treatment. Metabolic assessment by MTV or TLG was superior to morphological changes on CT for predicting the therapeutic response and survival at 4 weeks after PD-1 blockade.
Bitter taste receptor T2R38 is expressed on skin-infiltrating lymphocytes and regulates lymphocyte migration
Authors: Sakakibara Moe , Sumida Hayakazu , Yanagida Keisuke , Miyasato Sosuke , Nakamura Motonao , Sato Shinichi
Published: July 2022

Bitter taste receptors (T2Rs) are G protein-coupled receptors involved in the perception of bitter taste on the tongue. In humans, T2Rs have been found in several sites outside the oral cavity. Although T2R38 has been reported to be expressed on peripheral lymphocytes, it is poorly understood whether T2R38 plays immunological roles in inflammatory skin diseases such as atopic dermatitis (AD). Then, we first confirmed that T2R38 gene expression was higher in lesional skin of AD subjects than healthy controls. Furthermore, skin T2R38 expression levels were correlated with serum thymus and activation-regulated chemokine and IgE levels in AD patients. In lesional skin of AD, section staining revealed that CD3+ T cells in the dermis were T2R38 positive. In addition, flow cytometry analysis showed T2R38 expression in skin T cells. Migration assays using T2R38-transduced Jurkat T cell leukemia cells revealed that T2R38 agonists exerted a dose-dependent migration inhibitory effect. Moreover, skin tissue extracts, as well as supernatants of cultured HaCaT keratinocytes, caused T2R38-dependent migration inhibition, indicating that there should be an endogenous ligand for T2R38 in the skin epidermis. These findings implicate T2R38 as a migratory inhibitory receptor on the skin-infiltrating lymphocytes and as a therapeutic target for allergic/inflammatory skin diseases.
Mycobacterium intracellulare induces a Th17 immune response via M1-like macrophage polarization in canine peripheral blood mononuclear cells
Authors: Kim Suji , Hyun You-Seok , Park Hong-Tae , Shin Min-Kyung , Yoo Han Sang
Published: July 2022

Mycobacterium avium-intracellulare complex (MAC) is one of the most prevalent pathogenic nontuberculous mycobacteria that cause chronic pulmonary disease. The prevalence of MAC infection has been rising globally in a wide range of hosts, including companion animals. MAC infection has been reported in dogs; however, little is known about interaction between MAC and dogs, especially in immune response. In this study, we investigated the host immune response driven by M. intracellulare using the co-culture system of canine T helper cells and autologous monocyte-derived macrophages (MDMs). Transcriptomic analysis revealed that canine MDMs differentiated into M1-like macrophages after M. intracellulare infection and the macrophages secreted molecules that induced Th1/Th17 cell polarization. Furthermore, canine lymphocytes co-cultured with M. intracellulare-infected macrophages induced the adaptive Th17 responses after 5 days. Taken together, our results indicate that M. intracellulare elicits a Th17 response through macrophage activation in this system. Those findings might help the understanding of the canine immune response to MAC infection and diminishing the potential zoonotic risk in One Health aspect.
Electrochemical sensor for the non-enzymatic reduction of hydrogen peroxide and oxidation of gallic acid using a polyamidoblack-10B (PAB)-modified electrode
Authors: Manoranjitham J. Jayadevi , Narayanan S. Sriman
Published: July 2022

A novel electrochemical sensor for the oxidation of gallic acid and reduction of hydrogen peroxide using a paraffin impregnated graphite electrode modified with polyamidoblack 10B is developed.
Biodegradable asparagine–graphene oxide free chlorine sensors fabricated using solution-based processing
Authors: Siddiqui Junaid , Jamal Deen M.
Published: July 2022

A free chlorine-sensing biodegradable ink was made by functionalizing asparagine onto graphene oxide then deposited on an electrode. The sensor showed a sensitivity of 0.30 μA ppm−1, selectivity amid interfering ions, and low temperature dependence.
Nanoscale chemical characterization of a post-consumer recycled polyolefin blend using tapping mode AFM-IR
Authors: V. D. dos Santos A. Catarina , Tranchida Davide , Lendl Bernhard , Ramer Georg
Published: July 2022

Tapping mode AFM-IR reveals the presence of contaminants, PP inclusions within the PE phase, and EPR rubber at the interphase between PP and PE in a real-world polyolefin recyclate.
A paper-analytical device for detecting bisphenol-A in foods
Authors: Wang Rui , Liu Wentao , Wang Qian , Lu Yang
Published: July 2022

We developed simple paper-analytical devices (PADs) for detecting BPA in food.
CRISPR-empowered hybridization chain reaction amplification for an attomolar electrochemical sensor
Authors: Wan Ling , Ma Jianfeng , Yi Jiasheng , Dong Yan , Niu Renjie , Su Yan , Li Qian , Dan Zhu  , Chao Jie , Su Shao , Fan Chunhai , Wang Lianhui , Wan Ying
Published: July 2022

A CRISPR-empowered electrochemical biosensor was designed for the ultrasensitive detection of the avian influenza A (H7N9) virus gene sequence.
In situ fabrication of dry/gel bilayer Ti3C2Tx films for high-rate micro-supercapacitors
Authors: Cui Shuyu , Tang Jun , Hu Bihua , Wang Peizhi , Guo Jiaxin , Peng Yuanjun , Wang Xingzhu , Xu Baomin
Published: July 2022

H2SO4-Ti3C2Tx ion-gel micro-supercapacitors self-assembled from Ti3C2Tx slurry in H2SO4 exhibit high rate performance by mitigating restacking for rapid ion transport.
Orthogonally deconstructable and depolymerizable polysilylethers via entropy-driven ring-opening metathesis polymerization
Authors: Johnson Alayna M. , Husted Keith E. L. , Kilgallon Landon J. , Johnson Jeremiah A.
Published: July 2022

The synthesis of low Tg polysilylethers via entropy-driven ring-opening metathesis polymerization is reported. These polymers can be depolymerized through olefin metathesis or deconstructed with acid or fluoride.
Tuning the dielectric response by co-crystallisation of sumanene and its fluorinated derivative
Authors: Li Minghong , Chen Xi , Yakiyama Yumi , Wu JianYun , Akutagawa Tomoyuki , Sakurai Hidehiro
Published: July 2022

The simple co-crystallization of sumanene and difluorosumanene successfully tuned their structural and physical properties, especially the dielectric response, without any chemical modification.
Pillar[5]arene-based [1]rotaxanes with salicylaldimine as the stopper: synthesis, characterization and application in the fluorescence turn-on sensing of Zn2+ in water
Authors: Ma Longtao , Tang Ruowen , Zhou Youjun , Bei Jiali , Wang Yang , Chen Tingting , Ou Changjin , Han Ying , Yan Chao-Guo , Yao Yong
Published: July 2022

Unexpected strongly luminescent complexes were constructed via the weakly luminescent [1]rotaxane coordinating with Zn2+ specifically due to the coordination-induced emission effect.
Electrosynthesis of (hetero)aryl nitriles from α-imino-oxy acids via oxidative decarboxylation/N–O cleavage
Authors: Lin Hui-Shan , Chen Shu-Jun , Huang Jing-Mei
Published: July 2022

The electrochemical decarboxylation/N–O bond cleavage of α-imino-oxy acids was achieved to build up (hetero)aryl nitriles via iminyl radicals.
Gambogic acid suppresses the pentose phosphate pathway by covalently inhibiting 6PGD protein in cancer cells
Authors: Zhu Yinhua , Zhang Ying , Zhang Qianyu , Ma Ang , Zhang Ying , Wang Chen , Gao Peng , Guo Qiuyan , Xia Fei , Tang Huan , Xu Chengchao , Wang Jigang
Published: July 2022

Here, we report for the first time the anticancer mechanism of gambogic acid, which covalently inhibits the key rate-limiting enzyme 6PGD in the pentose phosphate pathway, thereby effectively suppressing the metabolic process of cancer cells.
Natural inhibitors from earthworms for the crystallization of calcium oxalate monohydrate
Authors: Kang Xiang , Li Si , Li Mengya , Li Jiahui , Han Dandan , Gong Junbo
Published: July 2022

Two proteins are proposed as CaOx nucleation and crystal growth regulators. The site-specific adsorption of inhibitors is confirmed from both macroscopic and microscopic perspectives.
Frustration-driven allosteric regulation and signal transmission in the SARS-CoV-2 spike omicron trimer structures: a crosstalk of the omicron mutation sites allosterically regulates tradeoffs of protein stability and conformational adaptability
Authors: Verkhivker Gennady M. , Agajanian Steve , Kassab Ryan , Krishnan Keerthi
Published: July 2022

Regulatory control of SARS-CoV-2 spike stability, binding and signaling through allosteric cross-talk of the Omicron mutation sites.
Ultrafast Förster resonance energy transfer between tyrosine and tryptophan: potential contributions to protein–water dynamics measurements
Authors: Li Haoyang , Jiang Guanyu , Jia Menghui , Cao Simin , Zhang Sanjun , Chen Jinquan , Sun Haitao , Xu Jianhua , Knutson Jay R.
Published: July 2022

Schematic diagram of ultrafast energy transfer from tyrosine to tryptophan in model peptides (WY, WPY, WP2Y, WP3Y). With the increase of peptide chain length, the lifetime of energy transfer first decreases and then increases.
Deep potential for a face-centered cubic Cu system at finite temperatures
Authors: Du Yunzhen , Meng Zhaocang , Yan Qiang , Wang Canglong , Tian Yuan , Duan Wenshan , Zhang Sheng , Lin Ping
Published: July 2022

The potential function is critical for molecular dynamics simulation and the state-of-the-art method generating potential functions used in molecular dynamics is based on machine learning with neural networks.
Exploring chemical and conformational spaces by batch mode deep active learning
Authors: Zaverkin Viktor , Holzmüller David , Steinwart Ingo , Kästner Johannes
Published: July 2022

Batch active learning allows the efficient generation of powerful training sets in chemistry and materials science.
Carbon dots derived from natural sources and their biological and environmental impacts
Authors: Xiang Siyuan , Tan Mingqian
Published: July 2022

Carbon dots derived from natural sources have drawn tremendous interest due to their superior characteristics. However, it is essential to evaluate both their biological and environmental impacts on contributions and the emerging concerns.
Hanging drop sample preparation improves sensitivity of spatial proteomics
Authors: Kwon Yumi , Piehowski Paul D. , Zhao Rui , Sontag Ryan L. , Moore Ronald J. , Burnum-Johnson Kristin E. , Smith Richard D. , Qian Wei-Jun , Kelly Ryan T. , Zhu Ying
Published: July 2022

An improved spatial proteomics platform to quantify >1500 proteins at a high spatial resolution based on a hanging-drop arrangement during protein extraction and digestion.
A nonconjugated radical polymer with stable red luminescence in the solid state
Authors: Wang Zhaoyu , Zou Xinhui , Xie Yi , Zhang Haoke , Hu Lianrui , Chan Christopher C. S. , Zhang Ruoyao , Guo Jing , Kwok Ryan T. K. , Lam Jacky W. Y. , Williams Ian D. , Zeng Zebing , Wong Kam Sing , Sherrill C. David , Ye Ruquan , Tang Ben Zhong
Published: July 2022

A radical polymer without any delocalized π-stabilization was synthesized from a classical chromophore quencher, TEMPO, which surprisingly shows red emission.
Highly sensitive colorimetric detection and effective adsorption of phosphate based on MOF-808(Zr/Ce)
Authors: Zhai Yuzhu , Li Yijing , Hou Qin , Zhang Yuanhong , Zhou Enlong , Li Houshen , Ai Shiyun
Published: July 2022

MOF-808(Zr/Ce) has been successfully used for the sensitive and rapid detection of phosphate and phosphate removal by effective adsorption.
Monte Carlo optimization method based QSAR modeling of postmortem redistribution of structurally diverse drugs
Authors: Antović Aleksandra R. , Karadžić Radovan , Veselinović Aleksandar M.
Published: July 2022

The Monte Carlo optimization method was employed for the development of the QSAR model for the prediction for postmortem redistribution of structurally diverse drugs.
Tuning of energy levels, transport properties and device performance of naphthalenediimide derivatives by introduction of Michael addition reaction
Authors: Ahuja Mehak , Saini Saurabh K. , Chaudhary Neeraj , Kumar Mahesh , Singh Rajiv K. , Kumar Rachana
Published: July 2022

NDI derivatives have been synthesizedviaMichael addition reaction with uplifted HOMO–LUMO energy levels and strong CT interaction in MA products generally not achieved by simple imide-N substitutions.
High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties
Authors: Plaza-Lozano Diego , Ramírez-Palma David , Vela Alberto , Olguín Juan
Published: July 2022

Differing magnetic behaviour in complexes of the type [FeII(N2S2)(NCE)2]: thione-based complexes are stabilised in the HS-state, whilst a previously reported picolylbenzylthioether–iron(ii) complex shows a hysteretic spin crossover behaviour.
Preparation of efficient ion-imprinted polymers for selectively removing and detecting As(iii) from the aqueous phase
Authors: Yin Fengqin , Yang Hongzhi , Huo Kaixuan , Liu Xueting , Yuan Min , Cao Hui , Ye Tai , Sun Xiaoyun , Xu Fei
Published: July 2022

Synthesis of a specific As(iii)-ion-imprinted polymer for oxidation liquid phase color detection of As(iii) ions in aqueous system.
Prolific intercalation of VO2 (D)/polypyrrole/g-C3N4 as an energy storing electrode with remarkable capacitance
Authors: Dhanda Monika , Arora Rajat , Saini Meenu , Nehra S. P. , Lata Suman
Published: July 2022

VO2 (D)/polypyrrole/g-C3N4 composites are synthesized through in situ chemical oxidation polymerization, and used as an electrode material for excellent energy storage.
A novel β-MnO2and carbon nanotube composite with potent electrochemical properties synthesized using a microwave-assisted method for use in supercapacitor electrodes
Authors: Ragupathi Hariventhan , Arockiaraj M. Antony , Choe Youngson
Published: July 2022

In this work, we report the synthesis of a novel β-MnO2/CNT nanocomposite with good electrical conductivity for high-performance supercapacitorsviaa microwave-assisted method.
Ag-SPR and semiconductor interface effect on a ternary CuO@Ag@Bi2S3 Z-scheme catalyst for enhanced removal of HIV drugs and (photo)catalytic activity
Authors: Ayodhya Dasari
Published: July 2022

The development of ternary composites has gained great interest as they can be used as a catalyst due to the different semiconductors with the variation in the band edge positions creates a potential gradient at the composite interface.
Metal-free synthesis of secondary amides using N-Boc-O-tosylhydroxylamine as nitrogen source via Beckmann rearrangement
Authors: Jat Jawahar L. , Kumar Puneet , Verma Saumya , Chandra Dinesh , Singh Vikram , Tiwari Bhoopendra
Published: July 2022

An efficient methodology for the direct synthesis of secondary amides from ketones has been developed by using N-Boc-O-tosylhydroxylamine (TsONHBoc).
Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation
Authors: Zhang Qi , He Chunlin , Pang Siping
Published: July 2022

Use of a mild PIDA oxidation strategy to access heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides.
DNA binding, DNA cleavage, cellular uptake, cytotoxicity, and apoptosis-inducing ability of a binuclear Schiff base copper(ii) complex
Authors: Zhao Dandan , Wu Yixuan , Huang Wenxin , Gong Silin , Chen Zhanfen
Published: July 2022

A binuclear Schiff base copper(ii) complex could bind to DNA, efficiently cleave DNA, effectively enter the cancer cells, even the nucleus, induce cellular apoptosis, and exhibit potent cytotoxicity against cancer cell lines.
A carbon nanowire-promoted Cu2O/TiO2 nanocomposite for enhanced photoelectrochemical performance
Authors: Ahmed Kassam , Wang Yuyin , Bai Yang , Sekar Karthikeyan , Li Wei
Published: July 2022

We started with earth abundant materials to design a heterojunction nanocomposite with excellent visible light photoelectrochemical performance and enhanced durability.
Correction: The composition dependent structure and catalytic activity of nanostructured Cu–Ni bimetallic oxides
Authors: Vivek S. , Preethi S. , Sundramoorthy Ashok K. , Babu K. Suresh
Published: July 2022

Correction for ‘The composition dependent structure and catalytic activity of nanostructured Cu–Ni bimetallic oxides’ by S. Vivek et al., New J. Chem., 2020, 44, 9691–9698, https://doi.org/10.1039/D0NJ01753A.
The regioselective annulation of N-methylpyridinium ylides with alkenes enabled by palladium catalysis: access to 3-unsubstituted indolizine derivatives
Authors: Gou Quan , Zhu Qianhua , Deng Mengjiao , Li Weiwei , Ran Xing , Xie Jianfeng , Huang Huisheng , Tan Xiaoping , Zhu Minghong
Published: July 2022

The first catalytic protocol for the regioselective [3 + 2] annulation of N-methyl pyridinium ylides with alkenes to establish various valuable 3-unsubstituted indolizine derivatives is accomplished via palladium catalysis at the unactivated position.
Catalytic filtration: efficient C-C cross-coupling using Pd(II)-salen complex-embedded cellulose filter paper as a portable catalyst
Authors: Raya Indah , Danshina Svetlana , Jalil Abduladheem Turki , Suksatan Wanich , Mahmoud Mustafa Z. , Roomi Ali B. , Mustafa Yasser Fakri , Kazemnejadi Milad
Published: July 2022

A new platform has been developed for environmentally friendly C–C cross-coupling reactionsviafiltration of reactants through a portable Pd(II)-salen complex-embedded filter paper.