bluuebunny/crossref_metadata_2025 huggingface dataset:
Corporatism as usual? – Staat und organisierte Wirtschaftsinteressen in der Coronakrise
Authors: Fuchs Sebastian , Sack Detlef
Published: November 2021

Der Artikel widmet sich den Beziehungen zwischen Staat und organisierten Interessen der deutschen Wirtschaft in der Coronakrise 2020. Es werden zwei Fragen fokussiert, nämlich erstens, ob und wie Arbeitgeberverbände, Wirtschaftsverbände und -kammern sich in der Krise politisch artikulieren. Und zweitens, ob die Interaktion zwischen Regierung und organisierten Wirtschaftsinteressen den Charakter eines spezifischen ‚Krisenkorporatismus‘ annimmt. Ausgangspunkt sind Überlegungen zur pfadabhängigen Revitalisierung etablierter Interaktionsmuster in der Krise. Die Studie nimmt den Zeitraum zwischen März 2020 und Februar 2021 in den Blick. Auf Grundlage der Auswertung von Formen und Frequenz der Staat-Verbände-Interaktion werden drei Phasen identifiziert, denen sodann eingehende Fallstudien gewidmet werden. Für die Frühphase der Coronakrise (März–Juni 2020) werden a) die Angebote und politischen Forderungen von Arbeitgeberverbänden, Wirtschaftsverbänden und -kammern quantitativ ausgewertet und b) die inhaltliche Kongruenz zwischen Verbandsforderungen und den politischen Maßnahmen des Konjunkturpakets untersucht. Sodann wird die Ausformung des branchenspezifischen ‚Automobilkorporatismus‘ in der zweiten Phase (Juli–September 2020) in den Blick genommen. Schließlich wird für die dritte Phase (Oktober 2020–Februar 2021) eine Veränderung der Staat-Verbände-Interaktion anhand der Diskussionen um erneute Lockdowns und weitere wirtschaftspolitische Maßnahmen nachgezeichnet. Im Ergebnis identifiziert die Studie einen ‚Korporatismus ohne Verbrennungsmotor‘, der durch wechselseitige Ressourcenabhängigkeit, Vernetzungen und einen spezifischen ‚krisenkorporatistischen‘ Tausch zwischen organisierten Wirtschaftsinteressen und Staat geprägt und erhalten wird.
Investigating Malware Propagation and Behaviour Using System and Network Pixel-Based Visualisation
Authors: Williams Jacob , Legg Phil
Published: November 2021

Malicious software, known as malware, is a perpetual game of cat and mouse between malicious software developers and security professionals. Recent years have seen many high profile cyber attacks, including the WannaCry and NotPetya ransomware attacks that resulted in major financial damages to many businesses and institutions. Understanding the characteristics of such malware, including how malware can propagate and interact between systems and networks is key for mitigating these threats and containing the infection to avoid further damage. In this study, we present visualisation techniques for understanding the propagation characteristics in dynamic malware analysis. We propose the use of pixel-based visualisations to convey large-scale complex information about network hosts in a scalable and informative manner. We demonstrate our approach using a virtualised network environment, whereby we can deploy malware variants and observe their propagation behaviours. As a novel form of visualising system and network activity data across a complex environment, we can begin to understand visual signatures that can help analysts identify key characteristics of the malicious behaviours, and, therefore, provoke response and mitigation against such attacks.
Direct assessment of individual connotation and experience
Authors: Reuter Lisa , Mansell Jordan , Rhea Carter , Kiesel Andrea
Published: November 2021

Abstract

We introduce cognitive-affective maps (CAMs) as a novel tool to assess individual experiences and belief systems. CAMs were first presented by the cognitive scientist and philosopher Paul Thagard as a graphical representation of a mental network, visualizing attitudes, thoughts, and affective connotations toward the topic of interest. While CAMs were originally used primarily to visualize existing data, the recent release of the new software toolValencehas facilitated the applicability of CAMs for empirical data collection. In this article, we explain the concept and the theoretical background of CAMs. We exemplify how CAMs can be applied in research practice, including different options for analysis. We propose CAMs as a user-friendly and versatile methodological bridge between qualitative and quantitative research approaches and encourage incorporating the method into studies to access and visualize human attitudes and experience.
Violence and Voting in the United States: How School Shootings Affect Elections
Authors: GARCÍA-MONTOYA LAURA , ARJONA ANA , LACOMBE MATTHEW
Published: November 2021

How do citizens change their voting decisions after their communities experience catastrophic violent events? The literature on the behavioral effects of violence, on the one hand, and on political behavior, on the other, suggest different answers to this question. Using a difference-in-differences approach, we investigate the influence of indiscriminate, rampage-style school shootings on both voter turnout levels and the relative electoral support for the Democratic and Republican Parties at the county level in US presidential elections (1980–2016). We find that although voter turnout does not change, the vote share of the Democratic Party increases by an average of nearly 5 percentage points in counties that experienced shootings—a remarkable shift in an age of partisan polarization and close presidential elections. These results show that school shootings do have important electoral consequences and bring to the fore the need to further examine the effects of different forms of violence on political behavior.
How many cattle can be infected by Trypanosoma vivax by reusing the same needle and syringe, and what is the viability time of this protozoan in injectable veterinary products?
Authors: de Melo Junior Rubens Dias , Azeredo Bastos Thiago Souza , Heller Luciana Maffini , Couto Luiz Fellipe Monteiro , Zapa Dina María Beltrán , de Assis Cavalcante Alliny Souza , Cruvinel Leonardo Bueno , Nicaretta João Eduardo , Iuasse Haryie Victória , Ferreira Lorena Lopes , Soares Vando Edésio , de Souza Guilherme Rocha Lino , Cadioli Fabiano Antônio , Lopes Welber Daniel Zanetti
Published: November 2021

It was investigated how many cattle become infected with Trypanosoma vivax by subcutaneous (SC), intramuscular (IM) and intravenous (IV) routes, using the same syringe and needle from an animal with acute T. vivax infection. Besides, the T. vivax viability in 109 injectable veterinary drugs (antibiotics, antiparasitics, reproductive hormones, vitamin complex and derivatives, vaccines, anaesthetics, anti-inflammatory/antipyretics, antitoxics). In the field assay, four groups were performed: T01, T02 and T03 animals that received saline solution with the same syringe and needle contaminated with T. vivax via SC, IM and IV routes, respectively, and T04 control animals that received only saline solution with the same syringe and needle IV. In the laboratory, drugs had their pH measured and T. vivax viability verified. The number of cattle infected with T. vivax via SC (3/20) was lower (P ≤ 0.05) compared to via IM (9/20), which was lower (P ≤ 0.05) compared to IV (15/20). The solution pH did not influence T. vivax viability. In 44% (48/109) of the products, T. vivax remained viable regardless of time, stooding out that in 100% of oxytocins the protozoan was verified, at some evaluation times. The mean of T. vivax quantified in foot-and-mouth and brucellosis vaccines and in doramectin-based products were higher (P ≤ 0.05) than found in blood + saline solution.
Integrating Cardinality Constraints into Constraint Logic Programming with Sets
Authors: CRISTIÁ MAXIMILIANO , ROSSI GIANFRANCO
Published: November 2021

Formal reasoning about finite sets and cardinality is important for many applications, including software verification, where very often one needs to reason about the size of a given data structure. The Constraint Logic Programming tool
$$\{ log\} $$
provides a decision procedure for deciding the satisfiability of formulas involving very general forms of finite sets, although it does not provide cardinality constraints. In this paper we adapt and integrate a decision procedure for a theory of finite sets with cardinality into
$$\{ log\} $$
. The proposed solver is proved to be a decision procedure for its formulas. Besides, the new CLP instance is implemented as part of the
$$\{ log\} $$
tool. In turn, the implementation uses Howe and King’s Prolog SAT solver and Prolog’s CLP(Q) library, as an integer linear programming solver. The empirical evaluation of this implementation based on +250 real verification conditions shows that it can be useful in practice.

Under consideration in Theory and Practice of Logic Programming (TPLP)
Identifying Key Drivers of Peatland Fires Across Kalimantan's Ex‐Mega Rice Project Using Machine Learning
Authors: Horton Alexander J. , Virkki Vili , Lounela Anu , Miettinen Jukka , Alibakhshi Sara , Kummu Matti
Published: November 2021

Throughout Indonesia ecological degradation, agricultural expansion, and the digging of drainage canals has compromised the integrity and functioning of peatland forests. Fragmented landscapes of scrubland, cultivation, degraded forest, and newly established plantations are then susceptible to extensive fires that recur each year. However, a comprehensive understanding of all the drivers of fire distribution and the conditions of initiation is still absent. Here we show the first analysis in the region that encompasses a wide range of driving factors within a single model that captures the inter‐annual variation, as well as the spatial distribution of peatland fires. We developed a fire susceptibility model using machine learning (XGBoost random forest) that characterizes the relationships between key predictor variables and the distribution of historic fire locations. We then determined the relative importance of each predictor variable in controlling the initiation and spread of fires. The model included land‐cover classifications, a forest clearance index, vegetation indices, drought indices, distances to infrastructure, topography, and peat depth, as well as the Oceanic Niño Index (ONI). The model performance consistently scores highly in both accuracy and precision across all years (>75% and >67.5% respectively), though recall metrics are much lower (>25%). Our results confirm the anthropogenic dependence of extreme fires in the region, with distance to settlements and distance to canals consistently weighted the most important driving factors within the model structure. Our results may help target the root causes of fire initiation and propagation to better construct regulation and rehabilitation efforts to mitigate future fires.
The Rift and Continent‐Ocean Transition Structure Under the Tagus Abyssal Plain West of the Iberia
Authors: Merino I. , Ranero C. R. , Prada M. , Sallarès V. , Grevemeyer I.
Published: November 2021

The West Iberia margin is the focus of intense research since the 1980s, with some of the most exemplary geophysical cross‐sections and drilling expeditions. Those data sets have been used to create conceptual models of rifting used as a template to interpret margins worldwide. We present two collocated ∼350 km long lines of multi‐channel seismic (MCS) streamer data and wide‐angle seismic (WAS) data collected across the Tagus Abyssal Plain (TAP). We use travel‐times of first arrivals identified at WAS and reflected seismic phases identified at both WAS and MCS records to jointly invert for the P wave velocity (Vp) distribution and the geometry of a sediment unconformity, the top of the basement, and the Moho boundary. The Vp model shows that the TAP basement is more complex than previously inferred, presenting abrupt boundaries between five domains. Domain I under the foot of the slope and Domain III under the abyssal plain display Vp values and gradients of thin continental crust. In between, Domain II displays a steep Vp gradient and high Vp values at shallow depth that support that basement is made of exhumed partly serpentinized mantle. Domain IV and Domain V, further oceanward, have oceanic crust Vp structure. The new results support an unanticipated complex rift history during the initial separation of Iberia and America. We propose a geodynamic scenario characterized by two phases of extension separated by a jump of the locus of extension, caused by the northward propagation of the oceanic spreading center during the J‐anomaly formation, which terminated continental rifting.
The way of SARS-CoV-2 vaccine development: success and challenges
Authors: Dong Yetian , Dai Tong , Wang Bin , Zhang Lei , Zeng Ling-hui , Huang Jun , Yan Haiyan , Zhang Long , Zhou Fangfang
Published: November 2021

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of coronavirus disease 2019 (COVID-19). To halt the pandemic, multiple SARS-CoV-2 vaccines have been developed and several have been allowed for emergency use and rollout worldwide. With novel SARS-CoV-2 variants emerging and circulating widely, whether the original vaccines that were designed based on the wild-type SARS-CoV-2 were effective against these variants has been a contentious discussion. Moreover, some studies revealed the long-term changes of immune responses post SARS-CoV-2 infection or vaccination and the factors that might impact the vaccine-induced immunity. Thus, in this review, we have summarized the influence of mutational hotspots on the vaccine efficacy and characteristics of variants of interest and concern. We have also discussed the reasons that might result in discrepancies in the efficacy of different vaccines estimated in different trials. Furthermore, we provided an overview of the duration of immune responses after natural infection or vaccination and shed light on the factors that may affect the immunity induced by the vaccines, such as special disease conditions, sex, and pre-existing immunity, with the aim of aiding in combating COVID-19 and distributing SARS-CoV-2 vaccines under the prevalence of diverse SARS-CoV-2 variants.
An atlas of inter- and intra-tumor heterogeneity of apoptosis competency in colorectal cancer tissue at single-cell resolution
Authors: Lindner Andreas Ulrich , Salvucci Manuela , McDonough Elizabeth , Cho Sanghee , Stachtea Xanthi , O’Connell Emer P. , Corwin Alex D. , Santamaria-Pang Alberto , Carberry Steven , Fichtner Michael , Van Schaeybroeck Sandra , Laurent-Puig Pierre , Burke John P. , McNamara Deborah A. , Lawler Mark , Sood Anup , Graf John F. , Rehm Markus , Dunne Philip D. , Longley Daniel B. , Ginty Fiona , Prehn Jochen H. M.
Published: November 2021

Cancer cells’ ability to inhibit apoptosis is key to malignant transformation and limits response to therapy. Here, we performed multiplexed immunofluorescence analysis on tissue microarrays with 373 cores from 168 patients, segmentation of 2.4 million individual cells, and quantification of 18 cell lineage and apoptosis proteins. We identified an enrichment for BCL2 in immune, and BAK, SMAC, and XIAP in cancer cells. Ordinary differential equation-based modeling of apoptosis sensitivity at single-cell resolution was conducted and an atlas of inter- and intra-tumor heterogeneity in apoptosis susceptibility generated. Systems modeling at single-cell resolution identified an enhanced sensitivity of cancer cells to mitochondrial permeabilization and executioner caspase activation compared to immune and stromal cells, but showed significant inter- and intra-tumor heterogeneity.
Tumor-associated macrophages (TAMs) depend on MMP1 for their cancer-promoting role
Authors: Yu Junhui , Xu Zhengshui , Guo Jing , Yang Kui , Zheng Jianbao , Sun Xuejun
Published: November 2021

The complex interaction between tumor-associated macrophages (TAMs) and tumor cells through several soluble factors and signaling is essential for colorectal cancer (CRC) progression. However, the molecular mechanism involved remains elusive. In this study, we demonstrated that MMP1 derived from TAMs markedly facilitated colon cancer cell proliferation via accelerating cell cycle transition from G0/G1 to S and G2/M phase. Moreover, exogenous MMP1 activated cdc25a/CDK4-cyclin D1 and p21/cdc2-cyclin B1 complexes through altering c-Myc and ETV4. Mechanistic studies indicated that inhibition of PAR1 or blockage of MAPK/Erk signaling eliminated the proliferation induced by exogenous MMP1 in vitro and in vivo. In addition, ETV4 could bind to the promoter of MMP1 and activate MMP1 transcription, which confirmed the MMP1/ETV4/MMP1 positive feedback. Altogether, our study identified a cytokine paracrine manner between colon cancer cells and TAMs. MMP1/PAR1/Erk1/2/ETV4 positive feedback loop may represent to be a therapeutic target and prognostic marker in CRC.
A novel SARS-CoV-2 related coronavirus in bats from Cambodia
Authors: Delaune Deborah , Hul Vibol , Karlsson Erik A. , Hassanin Alexandre , Ou Tey Putita , Baidaliuk Artem , Gámbaro Fabiana , Prot Matthieu , Tu Vuong Tan , Chea Sokha , Keatts Lucy , Mazet Jonna , Johnson Christine K. , Buchy Philippe , Dussart Philippe , Goldstein Tracey , Simon-Lorière Etienne , Duong Veasna
Published: November 2021

Knowledge of the origin and reservoir of the coronavirus responsible for the ongoing COVID-19 pandemic is still fragmentary. To date, the closest relatives to SARS-CoV-2 have been detected in Rhinolophus bats sampled in the Yunnan province, China. Here we describe the identification of SARS-CoV-2 related coronaviruses in two Rhinolophus shameli bats sampled in Cambodia in 2010. Metagenomic sequencing identifies nearly identical viruses sharing 92.6% nucleotide identity with SARS-CoV-2. Most genomic regions are closely related to SARS-CoV-2, with the exception of a region of the spike, which is not compatible with human ACE2-mediated entry. The discovery of these viruses in a bat species not found in China indicates that SARS-CoV-2 related viruses have a much wider geographic distribution than previously reported, and suggests that Southeast Asia represents a key area to consider for future surveillance for coronaviruses.
Single-molecule imaging with cell-derived nanovesicles reveals early binding dynamics at a cyclic nucleotide-gated ion channel
Authors: Patel Vishal R. , Salinas Arturo M. , Qi Darong , Gupta Shipra , Sidote David J. , Goldschen-Ohm Marcel P.
Published: November 2021

Ligand binding to membrane proteins is critical for many biological signaling processes. However, individual binding events are rarely directly observed, and their asynchronous dynamics are occluded in ensemble-averaged measures. For membrane proteins, single-molecule approaches that resolve these dynamics are challenged by dysfunction in non-native lipid environments, lack of access to intracellular sites, and costly sample preparation. Here, we introduce an approach combining cell-derived nanovesicles, microfluidics, and single-molecule fluorescence colocalization microscopy to track individual binding events at a cyclic nucleotide-gated TAX-4 ion channel critical for sensory transduction. Our observations reveal dynamics of both nucleotide binding and a subsequent conformational change likely preceding pore opening. Kinetic modeling suggests that binding of the second ligand is either independent of the first ligand or exhibits up to ~10-fold positive binding cooperativity. This approach is broadly applicable to studies of binding dynamics for proteins with extracellular or intracellular domains in native cell membrane.
MPK3- and MPK6-mediated VLN3 phosphorylation regulates actin dynamics during stomatal immunity in Arabidopsis
Authors: Zou Minxia , Guo Mengmeng , Zhou Zhaoyang , Wang Bingxiao , Pan Qing , Li Jiajing , Zhou Jian-Min , Li Jiejie
Published: November 2021

Upon perception of pathogens, plants can rapidly close their stomata to restrict pathogen entry into internal tissue, leading to stomatal immunity as one aspect of innate immune responses. The actin cytoskeleton is required for plant defense against microbial invaders. However, the precise functions of host actin during plant immunity remain largely unknown. Here, we report that Arabidopsis villin3 (VLN3) is critical for plant resistance to bacteria by regulating stomatal immunity. Our in vitro and in vivo phosphorylation assays show that VLN3 is a physiological substrate of two pathogen-responsive mitogen-activated protein kinases, MPK3/6. Quantitative analyses of actin dynamics and genetic studies reveal that VLN3 phosphorylation by MPK3/6 modulates actin remodeling to activate stomatal defense in Arabidopsis.
Whole genome and exome sequencing reference datasets from a multi-center and cross-platform benchmark study
Authors: Zhao Yongmei , Fang Li Tai , Shen Tsai-wei , Choudhari Sulbha , Talsania Keyur , Chen Xiongfong , Shetty Jyoti , Kriga Yuliya , Tran Bao , Zhu Bin , Chen Zhong , Chen Wanqiu , Wang Charles , Jaeger Erich , Meerzaman Daoud , Lu Charles , Idler Kenneth , Ren Luyao , Zheng Yuanting , Shi Leming , Petitjean Virginie , Sultan Marc , Hung Tiffany , Peters Eric , Drabek Jiri , Vojta Petr , Maestro Roberta , Gasparotto Daniela , Kõks Sulev , Reimann Ene , Scherer Andreas , Nordlund Jessica , Liljedahl Ulrika , Foox Jonathan , Mason Christopher E. , Xiao Chunlin , Hong Huixiao , Xiao Wenming
Published: November 2021

With the rapid advancement of sequencing technologies, next generation sequencing (NGS) analysis has been widely applied in cancer genomics research. More recently, NGS has been adopted in clinical oncology to advance personalized medicine. Clinical applications of precision oncology require accurate tests that can distinguish tumor-specific mutations from artifacts introduced during NGS processes or data analysis. Therefore, there is an urgent need to develop best practices in cancer mutation detection using NGS and the need for standard reference data sets for systematically measuring accuracy and reproducibility across platforms and methods. Within the SEQC2 consortium context, we established paired tumor-normal reference samples and generated whole-genome (WGS) and whole-exome sequencing (WES) data using sixteen library protocols, seven sequencing platforms at six different centers. We systematically interrogated somatic mutations in the reference samples to identify factors affecting detection reproducibility and accuracy in cancer genomes. These large cross-platform/site WGS and WES datasets using well-characterized reference samples will represent a powerful resource for benchmarking NGS technologies, bioinformatics pipelines, and for the cancer genomics studies.
Impaired remapping of social relationships in older adults
Authors: Oltmer Jan , Wolbers Thomas , Kuehn Esther
Published: November 2021

Social relationships are a central aspect of our everyday life, yet our ability to change established social relationships is an under-investigated topic. Here, we use the concept of cognitive mapping to investigate the plasticity of social relationships in younger and older adults. We describe social relationships within a ‘social space’, defined as a two-dimensional grid composed of the axis ‘power’ and ‘affiliation’, and investigate it using a 3D virtual environment with interacting avatars. We show that participants remap dimensions in ‘social space’ when avatars show conflicting behavior compared to consistent behavior and that, while older adults show similar updating behavior than younger adults, they show a distinct reduction in remapping social space. Our data provide first evidence that older adults show more rigid social behavior when avatars change their behavior in the dimensions of power and affiliation, which may explain age-related social behavior differences in everyday life.
DeepFake electrocardiograms using generative adversarial networks are the beginning of the end for privacy issues in medicine
Authors: Thambawita Vajira , Isaksen Jonas L. , Hicks Steven A. , Ghouse Jonas , Ahlberg Gustav , Linneberg Allan , Grarup Niels , Ellervik Christina , Olesen Morten Salling , Hansen Torben , Graff Claus , Holstein-Rathlou Niels-Henrik , Strümke Inga , Hammer Hugo L. , Maleckar Mary M. , Halvorsen Pål , Riegler Michael A. , Kanters Jørgen K.
Published: November 2021

Recent global developments underscore the prominent role big data have in modern medical science. But privacy issues constitute a prevalent problem for collecting and sharing data between researchers. However, synthetic data generated to represent real data carrying similar information and distribution may alleviate the privacy issue. In this study, we present generative adversarial networks (GANs) capable of generating realistic synthetic DeepFake 10-s 12-lead electrocardiograms (ECGs). We have developed and compared two methods, named WaveGAN* and Pulse2Pulse. We trained the GANs with 7,233 real normal ECGs to produce 121,977 DeepFake normal ECGs. By verifying the ECGs using a commercial ECG interpretation program (MUSE 12SL, GE Healthcare), we demonstrate that the Pulse2Pulse GAN was superior to the WaveGAN* to produce realistic ECGs. ECG intervals and amplitudes were similar between the DeepFake and real ECGs. Although these synthetic ECGs mimic the dataset used for creation, the ECGs are not linked to any individuals and may thus be used freely. The synthetic dataset will be available as open access for researchers at OSF.io and the DeepFake generator available at the Python Package Index (PyPI) for generating synthetic ECGs. In conclusion, we were able to generate realistic synthetic ECGs using generative adversarial neural networks on normal ECGs from two population studies, thereby addressing the relevant privacy issues in medical datasets.
Recurrence monitoring for ovarian cancer using a cell phone-integrated paper device to measure the ovarian cancer biomarker HE4/CRE ratio in urine
Authors: Kight Emily C. , Hussain Iftak , Bowden Audrey K. , Haselton Frederick R.
Published: November 2021

Ovarian cancer has a poor cure rate and rates of relapse are high. Current recurrence detection is limited by non-specific methods such as blood testing and ultrasound. Based on reports that human epididymis four (HE4) / creatinine (CRE) ratios found in urine are elevated in ovarian cancers, we have developed a paper-based device that combines lateral flow technology and cell phone analysis to quantitatively measure HE4/CRE. Surrogate samples were used to test the performance over clinically expected HE4/CRE ratios. For HE4/CRE ratios of 2 to 47, the percent error was found to be 16.0% on average whether measured by a flatbed scanner or cell phone. There was not a significant difference between the results from the cell phone or scanner. Based on published studies, error in this method was less than the difference required to detect recurrence. This promising new tool, with further development, could be used at home or in low-resource settings to provide timely detection of ovarian cancer recurrence.
CYP11B1 variants influence skeletal maturation via alternative splicing
Authors: Grgic Olja , Gazzara Matthew R. , Chesi Alessandra , Medina-Gomez Carolina , Cousminer Diana L. , Mitchell Jonathan A. , Prijatelj Vid , de Vries Jard , Shevroja Enisa , McCormack Shana E. , Kalkwarf Heidi J. , Lappe Joan M. , Gilsanz Vicente , Oberfield Sharon E. , Shepherd John A. , Kelly Andrea , Mahboubi Soroosh , Faucz Fabio R. , Feelders Richard A. , de Jong Frank H. , Uitterlinden Andre G. , Visser Jenny A. , Ghanem Louis R. , Wolvius Eppo B. , Hofland Leo J. , Stratakis Constantine A. , Zemel Babette S. , Barash Yoseph , Grant Struan F. A. , Rivadeneira Fernando
Published: November 2021

We performed genome-wide association study meta-analysis to identify genetic determinants of skeletal age (SA) deviating in multiple growth disorders. The joint meta-analysis (N = 4557) in two multiethnic cohorts of school-aged children identified one locus, CYP11B1 (expression confined to the adrenal gland), robustly associated with SA (rs6471570-A; β = 0.14; P = 6.2 × 10−12). rs6410 (a synonymous variant in the first exon of CYP11B1 in high LD with rs6471570), was prioritized for functional follow-up being second most significant and the one closest to the first intron-exon boundary. In 208 adrenal RNA-seq samples from GTEx, C-allele of rs6410 was associated with intron 3 retention (P = 8.11 × 10−40), exon 4 inclusion (P = 4.29 × 10−34), and decreased exon 3 and 5 splicing (P = 7.85 × 10−43), replicated using RT-PCR in 15 adrenal samples. As CYP11B1 encodes 11-β-hydroxylase, involved in adrenal glucocorticoid and mineralocorticoid biosynthesis, our findings highlight the role of adrenal steroidogenesis in SA in healthy children, suggesting alternative splicing as a likely underlying mechanism.
Two energy barriers and a transient intermediate state determine the unfolding and folding dynamics of cold shock protein
Authors: Hong Haiyan , Guo Zilong , Sun Hao , Yu Ping , Su Huanhuan , Ma Xuening , Chen Hu
Published: November 2021

Cold shock protein (Csp) is a typical two-state folding model protein which has been widely studied by biochemistry and single molecule techniques. Recently two-state property of Csp was confirmed by atomic force microscopy (AFM) through direct pulling measurement, while several long-lifetime intermediate states were found by force-clamp AFM. We systematically studied force-dependent folding and unfolding dynamics of Csp using magnetic tweezers with intrinsic constant force capability. Here we report that Csp mostly folds and unfolds with a single step over force range from 5 pN to 50 pN, and the unfolding rates show different force sensitivities at forces below and above ~8 pN, which determines a free energy landscape with two barriers and a transient intermediate state between them along one transition pathway. Our results provide a new insight on protein folding mechanism of two-state proteins.
Self-glucose feeding hydrogels by enzyme empowered degradation for 3D cell culture
Authors: Zargarzadeh Mehrzad , Silva A. Sofia , Nunes Cláudia , Coimbra Manuel A. , Custódio Catarina A. , Mano João F.
Published: November 2021

Self-feeding hydrogels were fabricated to obtain structural platforms for 3D cell culture but also achieving an autonomous release of glucose over time to prolong cell’s survival in-vitro and in-vivo.
Chemoproteomic-enabled characterization of small GTPase Rab1a as a target of an N-arylbenzimidazole ligand's rescue of Parkinson's-associated cell toxicity
Authors: Hatstat A. Katherine , Quan Baiyi , Bailey Morgan A. , Fitzgerald Michael C. , Reinhart Michaela C. , McCafferty Dewey G.
Published: November 2021

The development of phenotypic models of Parkinson's disease (PD) has enabled screening and identification of phenotypically active small molecules that restore complex biological pathways affected by PD toxicity.
Bio-inspired structural colors and their applications
Authors: Chen Fengxiang , Huang Ya , Li Run , Zhang Shiliang , Wang Baoshun , Zhang Wenshuo , Wu Xueke , Jiang Qinyuan , Wang Fei , Zhang Rufan
Published: November 2021

Structural colors, generated by the interaction of interference, diffraction, and scattering between incident light and periodic nanostructured surfaces with features of the same scale with incident visible light wavelengths, have recently attracted intense interest.
Cationic coordination polymers with thirteen-fold interpenetrating dia networks: selective coloration and ion-controlled photochromism
Authors: Li Xin , Li Yanger , Yang Xiaoman , Yan Chaoyue , Zhang Kai , Liang Xiaoxiao , Zhang Jinli , Gai Yanli , Xiong Kecai
Published: November 2021

A novel Cd-based cationic coordination polymer featuring a thirteen-fold interpenetrating dia network exhibits selective coloration and ion-controlled photochromism towards halide anions.
Host–guest type multiple site fluorescent probe for GSH detection in living organisms
Authors: Liu Tao , Yue Yongkang , Zhai Yunze , Guo Zilong , Zhao Wenjing , Yang Xufeng , Chen Dongdong , Yin Caixia
Published: November 2021

The host–guest type molecular size matching strategy, which embodied intramolecular hydrogen bond, aromatic nucleophilic substitution and nucleophilic addition, was utilized to develop a fluorescent probe for GSH specific detection and in situ imaging in organisms.
Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study
Authors: Denayer Mats , Vekeman Jelle , Tielens Frederik , De Proft Frank
Published: November 2021

A novel solubility descriptor is presented based on the non-covalent interaction index, providing information on the solute’s inter- and intramolecular interactions, and its conformation. Polyethylene in (anti)solvent is used as a case-study.
RbMo2P3O14 with large birefringence mainly induced by highly distorted [MoO6] in uncommon [Mo2P3O14]∞ layers
Authors: Zhang Rui , Su Xin , Zhang Jie , Xiong Mingyao , Huang Yineng
Published: November 2021

The introduction of the d0 transition metal Mo6+ cation into the phosphate generates a new acentric molybdophosphate, RbMo2P3O14.
Enhanced thermal and energetic properties of NC-based nanocomposites with silane functionalized GO
Authors: Lu Tingting , Zhao Baodong , Liu Yajing , Yan Zhengfeng , Wang Yinglei , Fu Xiaolong , Yan Qi-Long
Published: November 2021

The surface functionalization of graphene oxide (GO) is always attractive in improving certain properties of the polymer.
Titanium compounds containing naturally occurring dye molecules
Authors: Fang Wei-Hui , Müller Rosa , Jethwa Rajesh B. , Riesgo-González Victor , Li Ning , Pike Sebastian D. , Bond Andrew D. , Luo He-Kuan , Zhang Cheng , Wright Dominic S.
Published: November 2021

A range of titanium compounds containing the naturally occurring dyes quinizarin (QH2) and alizarin (AH2) was synthesied and structurally characterised in the solid state.
1,2-Bis(5-(trinitromethyl)-1,2,4-oxadiazol-3-yl)diazene: a water stable, high-performing green oxidizer
Authors: Chinnam Ajay Kumar , Staples Richard J. , Shreeve Jean'ne M.
Published: November 2021

Trinitromethane moieties are very important for the design and development of high performing dense green oxidizers.
Automated optimization of endoderm differentiation on chip
Authors: Ardila Riveros Jessi Carolina , Blöchinger Anna Karolina , Atwell Scott , Moussus Michel , Compera Nina , Rajabnia Omid , Georgiev Tihomir , Lickert Heiko , Meier Matthias
Published: November 2021

Here we developed an automated mLSI chip platform with general analytical workflow for 3D stem cell cultures offers the optimization of in vitro generation of various cell types for cell replacement therapies.
Metabolic labelling of cancer cells with glycodendrimers stimulate immune-mediated cytotoxicity
Authors: Goyard David , Diriwari Peremobowei Iyanu , Berthet Nathalie
Published: November 2021

Combining glycometabolism and bio-orthogonal chemistry to label cells with antigenic glycodendrimers lead to the activation of immune response against cancer cells.
Introduction to nature-inspired solutions for engineering
Authors: Coppens Marc-Olivier , Bhushan Bharat
Published: November 2021

Marc-Olivier Coppens and Bharat Bhushan introduce the Molecular Systems Design & Engineering themed issue on nature-inspired solutions for engineering.
A thermodynamic relationship and phase transition study involving two polymorphs of sulfamethoxazole: form I vs. form II
Authors: de Moura Oliveira Carlos Henrique , Freitas Jennifer Tavares Jacon , Rosa Iara Maria Landre , Doriguetto Antônio Carlos
Published: November 2021

Two sulfamethoxazole polymorphs (form I and II) have been studied. The form II → form I transformation is observed via milling and dissolution in acetonitrile. A phase transition mechanism is proposed based on their supramolecular geometries.
Utilization of conformation change and charge trapping to achieve binary/ternary rewritable memory performance of carbazole-based organic molecules
Authors: Yang Yanhua , Ma Jinwen , He Xiujuan , Gou Gaozhang , Mao Huiwu , Liu Juqing
Published: November 2021

To better understand the relationship between the molecular structure and memory characteristics, two carbazole-based organic compounds (Cz-2Ph3F 6FDA and Cz-2TPA 6FDA) with different ratios of electron-donating and electron-withdrawing units were designed and synthesized.
The reactivity of Nbn+ clusters with acetylene and ethylene to produce a cubic aromatic metal carbide Nb4C4+
Authors: Gan Wen , Huang Benben , Yang Mengzhou , Geng Lijun , Luo Zhixun , Hansen Klavs
Published: November 2021

The reactions of niobium cationic clusters with acetylene and ethylene under sufficient gas collision conditions give rise to dominant dehydrogenation and produce a main metal carbide Nb4C4+ which is associated with cubic aromaticity.
Enhanced in-plane ferroelectricity, antiferroelectricity, and unconventional 2D emergent fermions in quadruple-layer XSbO2 (X = Li, Na)
Authors: Guan Shan , Zhang GuangBiao , Liu Chang
Published: November 2021

The electrically tunable in-plane multiple spontaneous polarization and various 2D emergent fermions in quadruple-layer XSbO2 (X = Li, Na)
Spin selectivity in chiral metal–halide semiconductors
Authors: Feng Tanglue , Wang Zhiyu , Zhang Zixuan , Xue Jie , Lu Haipeng
Published: November 2021

This minireview elaborately presents the spin selectivity of chiral metal–halide semiconductors in photonic/electronic processes, and their applications in optoelectronic/spintronic devices, with the structure–property relationship highlighted.
Oxygen vacancy enriched Cu-WO3 hierarchical structures for the thermal decomposition of ammonium perchlorate
Authors: Shi Jing , Xing Xiangying , Wang Huixiang , Ge Lin , Sun Haizhen , Lv Baoliang
Published: November 2021

Cu-WO3 hierarchical structures are rapidly prepared and they exhibit excellent catalytic activity in AP decomposition due to their rich oxygen vacancies and Lewis acid sites.
The rational construction of diamond-like dysprosium–hexacyanometallate frameworks featuring dynamic magnetic behaviour
Authors: Sun Ai-Huan , Liu Xi-Xi , Sun Rong , Xiong Jin , Sun Hao-Ling , Gao Song
Published: November 2021

Four novel diamond-like dysprosium–hexacyanometallate frameworks featuring slow magnetic relaxation have been rationally constructed by a feasible building block strategy using hexacyanometallate to link superparamagnetic dimeric units.
The critical role of inter-component hydrogen bonds in the formation of reversibly interlocked polymer networks
Authors: Fu Mei Rui , You Yang , Rong Min Zhi , Zhang Ming Qiu
Published: November 2021

Inter-component hydrogen bonding is found to be indispensable to the construction of reversibly interlocked polymer networks. Phase separation is thus prevented during interlocking, leading to forced miscibility.
A combined experimental and computational study of NHC-catalyzed allylation of allenoate with MBH esters: new regiospecific and stereoselective access to 1,5-enyne
Authors: Sun Fang , Lu Fangfang , Song Xue , Wu Wenchao , Zhang Kai , Yu Chenxia , Li Tuanjie , Wei Donghui , Yao Changsheng
Published: November 2021

An NHC-catalyzed regiospecific allylation of α-substituted allenoates with MBH carbonates derived from aryl aldehyde furnished highly functionalized 1,5-enynes.
“The red cage”: implementation of pH-responsiveness within a macrobicyclic pyridinium-based molecular host
Authors: Cortón Pablo , Wang Hongye , Neira Iago , Blanco-Gómez Arturo , Pazos Elena , Peinador Carlos , Li Hao , García Marcos D.
Published: November 2021

The “red cage”, a new pyridinium-based macrobicyclic host, has been found to complex model aromatic substrates in aqueous media in a pH-responsive fashion.
DBU-catalyzed dearomative annulation of 2-pyridylacetates with α,β-unsaturated pyrazolamides for the synthesis of multisubstituted 2,3-dihydro-4H-quinolizin-4-ones
Authors: Shen Yao-Bin , Zhao Jian-Qiang , Wang Zhen-Hua , You Yong , Zhou Ming-Qiang , Yuan Wei-Cheng
Published: November 2021

DBU-catalyzed dearomative [3 + 3] annulation of 2-pyridylacetates and α,β-unsaturated pyrazolamides for the synthesis of multisubstituted 2,3-dihydro-4H-quinolizin-4-ones was developed.
Hierarchical self-assembly into chiral nanostructures
Authors: Sang Yutao , Liu Minghua
Published: November 2021

This review shows how chirality may be used for the design, construction and evolution of higher ordered and complex chiral nanostructures through hierarchical self-assembly.
Dibenzocycloheptanones construction through a removable P-centered radical: synthesis of allocolchicine analogues
Authors: Zhang Yan , Cai Zhenzhi , Struwe Julia , Ma Chanchan , Zeng Wangyu , Liao Xinyi , Xu Min , Ackermann Lutz
Published: November 2021

Dibenzocycloheptanones containing a tricyclic 6–7–6-system are present in numerous biologically active natural molecules.
N-doped carbon nanotubes as an efficient electrocatalyst for O2 conversion to H2O2 in neutral electrolyte
Authors: Ren Sijia , Cui Wenxin , Li Lixin , Yi Zhiguo
Published: November 2021

Nitrogen-doped carbon nanotubes are developed for high-efficiency H2O2 electrosynthesis in neutral electrolyte, delivering a high selectivity of >90% at a wide range of potentials and a large H2O2 yield rate of 4.45 mmol h−1 L−1.
Tracer dynamics in crowded active-particle suspensions
Authors: Reichert Julian , Voigtmann Thomas
Published: November 2021

Active tracers in dense suspensions show diffusive, sub-diffusive, and super-diffusive motion signalling an interplay of self-propulsion and particle interactions.
Correction: Hemorheology: the critical role of flow type in blood viscosity measurements
Authors: Javadi Elahe , Jamali Safa
Published: November 2021

Correction for ‘Hemorheology: the critical role of flow type in blood viscosity measurements’ by Elahe Javadi et al., Soft Matter, 2021, 17, 8446–8458, DOI: 10.1039/D1SM00856K.
Detection of subtype-specific breast cancer surface protein biomarkers via a novel transcriptomics approach
Authors: Mercatelli Daniele , Formaggio Francesco , Caprini Marco , Holding Andrew , Giorgi Federico M.
Published: November 2021

Background: Cell-surface proteins have been widely used as diagnostic and prognostic markers in cancer research and as targets for the development of anticancer agents. So far, very few attempts have been made to characterize the surfaceome of patients with breast cancer, particularly in relation with the current molecular breast cancer (BRCA) classification. In this view, we developed a new computational method to infer cell-surface protein activities from transcriptomics data, termed ‘SURFACER’.

Methods: Gene expression data from GTEx were used to build a normal breast network model as input to infer differential cell-surface proteins activity in BRCA tissue samples retrieved from TCGA versus normal samples. Data were stratified according to the PAM50 transcriptional subtypes (Luminal A, Luminal B, HER2 and Basal), while unsupervised clustering techniques were applied to define BRCA subtypes according to cell-surface proteins activity.

Results: Our approach led to the identification of 213 PAM50 subtypes-specific deregulated surface genes and the definition of five BRCA subtypes, whose prognostic value was assessed by survival analysis, identifying a cell-surface activity configuration at increased risk. The value of the SURFACER method in BRCA genotyping was tested by evaluating the performance of 11 different machine learning classification algorithms.

Conclusions: BRCA patients can be stratified into five surface activity-specific groups having the potential to identify subtype-specific actionable targets to design tailored targeted therapies or for diagnostic purposes. SURFACER-defined subtypes show also a prognostic value, identifying surface-activity profiles at higher risk.
Speech-Language Pathologist Perspectives of the Implementation of Telepractice-Delivered Stuttering Treatment for School-Age Children
Authors: Erickson Shane , Bridgman Kate , Furlong Lisa , Stark Hannah
Published: November 2021

Purpose:

The impact of stuttering can be significant, and effective treatment is critical. Despite evidence supporting direct treatment approaches for school-age children who stutter, a complex set of barriers can prevent access at school. One potential solution is telepractice. To date, however, there is no published evidence regarding the use of telepractice to deliver the Lidcombe Program within a school setting.

Method:

In this pilot study, a telepractice service was established and the perspectives of the five treating speech-language pathologists (SLPs) were evaluated before, during, and after the trial through focus groups and recorded telesupervision sessions.

Results:

An inductive and reflexive thematic analysis identified four main themes: (a) Understanding and managing technology is critical; (b) logistical considerations can be time-consuming and challenging; (c) preparation and support are essential; and (d) family engagement, acceptance, and independence with telepractice services can be facilitated by external support and coaching. Initially, the SLPs shared feelings of uncertainty, fear, and apprehension. Yet, despite this concern, the SLPs ultimately reported that telepractice can play an important role in their service.

Conclusions:

In order to maximize the potential value of telepractice, SLPs require training and support to (a) manage the technology and troubleshoot problems that invariably arise, (b) have the opportunity to watch demonstrations of the technology, and (c) clearly explain the roles, responsibilities, and expectations of the parent engaging in treatment. These findings have particular relevance now, as schools and support services navigate a COVID-safe delivery model for the indefinite future.
J-PLUS: Spectral evolution of white dwarfs by PDF analysis
Authors: López-Sanjuan C. , Tremblay P.-E. , Ederoclite A. , Vázquez Ramió H. , Carrasco J. M. , Varela J. , Cenarro A. J. , Marín-Franch A. , Civera T. , Daflon S. , Gänsicke B. T. , Gentile Fusillo N. P. , Jiménez-Esteban F. M. , Alcaniz J. , Angulo R. E. , Cristóbal-Hornillos D. , Dupke R. A. , Hernández-Monteagudo C. , Moles M. , Sodré L.
Published: November 2021

Aims.We estimated the spectral evolution of white dwarfs with effective temperature using the Javalambre Photometric Local Universe Survey (J-PLUS) second data release (DR2), which provides 12 photometric optical passbands over 2176 deg2.

Methods.We analyzed 5926 white dwarfs withr ≤ 19.5 mag in common between a white dwarf catalog defined fromGaiaEDR3 and J-PLUS DR2. We performed a Bayesian analysis by comparing the observed J-PLUS photometry with theoretical models of hydrogen- and helium-dominated atmospheres. We estimated the probability distribution functions for effective temperature (Teff), surface gravity, parallax, and composition; and the probability of having a H-dominated atmosphere (pH) for each source. We applied a prior in parallax, usingGaiaEDR3 measurements as a reference, and derived a self-consistent prior for the atmospheric composition as a function ofTeff.

Results.We described the fraction of white dwarfs with a He-dominated atmosphere (fHe) with a linear function of the effective temperature at 5000 < Teff < 30 000 K. We findfHe = 0.24 ± 0.01 atTeff = 10 000 K, a change rate along the cooling sequence of 0.14 ± 0.02 per 10 kK, and a minimum He-dominated fraction of 0.08 ± 0.02 at the high-temperature end. We tested the obtainedpHby comparison with spectroscopic classifications, finding that it is reliable. We estimated the mass distribution for the 351 sources with distanced < 100 pc, massM > 0.45M⊙, andTeff > 6000 K. The result for H-dominated white dwarfs agrees with previous studies, with a dominantM = 0.59M⊙peak and the presence of an excess atM ∼ 0.8M⊙. This high-mass excess is absent in the He-dominated distribution, which presents a single peak.

Conclusions.The J-PLUS optical data provide a reliable statistical classification of white dwarfs into H- and He-dominated atmospheres. We find a 21 ± 3% increase in the fraction of He-dominated white dwarfs fromTeff = 20 000 K toTeff = 5000 K.