bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of a common UMOD variant on kidney function, blood pressure, cognitive and physical function in a community-based cohort of older adults
Authors: Villagomez Fuentes Linda Elizabeth , Algharably Engi Abdel–Hady , Toepfer Sarah , König Maximilian , Demuth Ilja , Bertram Lars , Kreutz Reinhold , Bolbrinker Juliane
Published: September 2021

In genome-wide association studies, genetic variants in the UMOD gene associate with kidney function, blood pressure (BP), and hypertension. Elevated BP is linked to kidney function and impaired cognitive as well as physical performance in later life. We investigated the association between UMOD rs4293393–A > G and kidney function, BP, cognitive and physical function in the Berlin Aging Study II (BASE–II). Data of 1556 older BASE–II participants (mean age 68.2 ± 3.7 years) were analyzed. BP was determined by standardized automated measurements, estimated glomerular filtration rate (eGFR) by CKD Epidemiology Collaboration creatinine equation. Cognitive function was assessed by Mini-Mental State Examination and Digit Symbol Substitution Test, while physical function by Handgrip Strength and Timed Up and Go-Test. Association analyses were performed by covariance and logistic regression models adjusting for sex. G–allele carriers at UMOD rs4293393 exhibited significantly higher eGFR values compared to non–carriers (AA, 76.4 ml/min/1.73 m², CI: 75.7–77.2 vs. AG, 78.4 ml/min/1.73 m², CI: 77.3–79.5 vs. GG, 78.5 ml/min/1.73 m², CI: 75.4–81.7; P = 0.010), and a lower risk of eGFR < 60 mL/min/1.73 m2 (AG, OR: 0.63, CI: 0.41–0.97, P = 0.033). However, UMOD rs4293393 genotypes were not associated with BP, diagnosis of hypertension or cognitive and physical function parameters. Our data corroborate previous findings on the association of UMOD rs4293393-G with better kidney function in older adults. However, no association between UMOD and BP or physical and cognitive parameters in these community-dwelling older adults was detected.
Discovery of a new candidate drug to overcome cabazitaxel-resistant gene signature in castration-resistant prostate cancer by in silico screening
Authors: Hongo Hiroshi , Kosaka Takeo , Suzuki Yoko , Oya Mototsugu
Published: September 2021

Background

The taxane cabazitaxel (CBZ) is a promising treatment for docetaxel-resistant castration-resistant prostate cancer (CRPC). However, the survival benefit with CBZ for patients with CRPC is limited. This study used screening tests for candidate drugs targeting CBZ-resistant-related gene expression and identified pimozide as a potential candidate for overcoming CBZ resistance in CRPC.

Methods

We established CBZ-resistant cell lines, DU145CR and PC3CR by incubating DU145 cells and PC3 cells with gradually increasing concentrations of CBZ. We performed in silico drug screening for candidate drugs that could reprogram the gene expression signature of a CBZ-resistant prostate cancer cells using a Connectivity Map. The in vivo effect of the drug combination was tested in xenograft mice models.

Results

We identified pimozide as a promising candidate drug for CBZ-resistant CRPC. Pimozide had a significant antitumor effect on DU145CR cells. Moreover, combination treatment with pimozide and CBZ had a synergic effect for DU145CR cells in vitro and in vivo. Microarray analysis identified AURKB and KIF20A as potential targets of pimozide in CBZ-resistant CRPC. DU145CR had significantly higher AURKB and KIF20A expression compared with a non-CBZ-resistant cell line. Inhibition of AURKB and KIF20A had an antitumor effect in DU145CR xenograft tumors. Higher expression of AURKB and KIF20A was a poor prognostic factor of TGCA prostate cancer cohort. CBZ-resistant prostate cancer tissues in our institution had higher AURKB and KIF20A expression.

Conclusions

Pimozide appears to be a promising drug to overcome CBZ resistance in CRPC by targeting AURKB and KIF20A.
Corrosion inhibition of locally de-passivated surfaces by DFT study of 2-mercaptobenzothiazole on copper
Authors: Chiter Fatah , Costa Dominique , Maurice Vincent , Marcus Philippe
Published: September 2021

Investigating the interaction of organic inhibitors with metal and alloy surfaces is crucial for an atomic-scale understanding of their protection efficiency, particularly on the initiation of localized corrosion by pitting. Quantum chemical DFT calculations were performed to optimize the constructed model of a depassivated copper surface and to study the adsorption of 2-mercaptobenzothiazole (MBT), on different zones exposed by local depassivation. Reactive sites exist at the metal surface, at the oxide surface, as well as on the oxide edges and oxide walls. The surface-reactive sites are the unsaturated and saturated copper atoms and singly and doubly unsaturated oxygen atoms of the oxide, and the copper atoms of the metal. The sulfur (Sexo and Sendo) and nitrogen (N or NH) atoms are the reactive sites in the molecules. MBT can covalently bond to the oxide surface as well as to the oxide edges, oxide walls, and metal surface exposed by depassivation. For the thione species, local adsorption strength decreases as oxide edges > oxide surface > metal surface > oxide walls, suggesting that MBT heals the low coordinated sites. For the thiolate species, adsorption strength is similar on the different area, except the oxide walls. The results show the ability of the inhibitor to interact on different zones of a locally depassivated surface and to form a strongly adsorbed organic film, which can block the initiation of localized corrosion by enhancing the interfacial barrier properties, including in the local surface areas incompletely passivated or locally damaged by depassivation.
Does filling-dependent band renormalization aid pairing in twisted bilayer graphene?
Authors: Lewandowski Cyprian , Nadj-Perge Stevan , Chowdhury Debanjan
Published: September 2021

Magic-angle twisted bilayer graphene (MATBG) exhibits a panoply of many-body phenomena that are intimately tied to the appearance of narrow and well-isolated electronic bands. The microscopic ingredients that are responsible for the complex experimental phenomenology include electron–electron (phonon) interactions and nontrivial Bloch wavefunctions associated with the narrow bands. Inspired by recent experiments, we focus on two independent quantities that are considerably modified by Coulomb interaction-driven band renormalization, namely the density of states and the minimal spatial extent associated with the Wannier functions. First, we show that a filling-dependent enhancement of the density of states, caused by band flattening, in combination with phonon-mediated attraction due to electron-phonon umklapp processes, increases the tendency towards superconducting pairing in a range of angles around magic-angle. Second, we demonstrate that the minimal spatial extent associated with the Wannier functions, which contributes towards increasing the superconducting phase stiffness, also develops a nontrivial enhancement due to the interaction-induced renormalization of the Bloch wavefunctions. While our modeling of superconductivity (SC) assumes a weak electron-phonon coupling and does not consider many of the likely relevant correlation effects, it explains simply the experimentally observed robustness of SC in the wide range of angles that occurs in the relevant range of fillings.
Chinese environmentally extended input-output database for 2017 and 2018
Authors: Tian Xi , Liu Yiwei , Xu Ming , Liang Sai , Liu Yaobin
Published: September 2021

Environmental footprint analyses for China have gained sustained attention in the literature, which rely on quality EEIO databases based on benchmark input-output (IO) tables. The Chinese environmentally extended input-output (CEEIO) database series provide publically available EEIO databases for China for 1992, 1997, 2002, 2007, and 2012 with consistent and transparent data sources and database structure. Based on the latest benchmark IO tables for China for 2017 and 2018, here we develop the corresponding 2017 and 2018 CEEIO databases following the same method used to develop previous CEEIO databases. The 2017 and 2018 CEEIO databases cover 44 and 28 types of environmental pressures, respectively, and consider multiple sector classifications including ones consistent with previous CEEIO databases and ones following the 2017 China’s national economy industry classification standard. A notable improvement in the 2017 and 2018 CEEIO databases is the comprehensive inclusion of CO2 emissions from additional industrial processes. This work provides a consistent update of the CEEIO database and enables a wide range of timely environmental footprint analyses related to China.
Deleting a UBE3A substrate rescues impaired hippocampal physiology and learning in Angelman syndrome mice
Authors: Sell Gabrielle L. , Xin Wendy , Cook Emily K. , Zbinden Mark A. , Schaffer Thomas B. , O’Meally Robert N. , Cole Robert N. , Margolis Seth S.
Published: September 2021

In humans, loss-of-function mutations in the UBE3A gene lead to the neurodevelopmental disorder Angelman syndrome (AS). AS patients have severe impairments in speech, learning and memory, and motor coordination, for which there is currently no treatment. In addition, UBE3A is duplicated in > 1–2% of patients with autism spectrum disorders—a further indication of the significant role it plays in brain development. Altered expression of UBE3A, an E3 ubiquitin ligase, is hypothesized to lead to impaired levels of its target proteins, but identifying the contribution of individual UBE3A targets to UBE3A-dependent deficits remains of critical importance. Ephexin5 is a putative UBE3A substrate that has restricted expression early in development, regulates synapse formation during hippocampal development, and is abnormally elevated in AS mice, modeled by maternally-derived Ube3a gene deletion. Here, we report that Ephexin5 can be directly ubiquitylated by UBE3A. Furthermore, removing Ephexin5 from AS mice specifically rescued hippocampus-dependent behaviors, CA1 physiology, and deficits in dendritic spine number. Our findings identify Ephexin5 as a key driver of hippocampal dysfunction and related behavioral deficits in AS mouse models. These results demonstrate the exciting potential of targeting Ephexin5, and possibly other UBE3A substrates, to improve symptoms of AS and other UBE3A-related developmental disorders.
Dramatic transcriptomic differences in Macaca mulatta and Macaca fascicularis with Plasmodium knowlesi infections
Authors: Gupta Anuj , Styczynski Mark P. , Galinski Mary R. , Voit Eberhard O. , Fonseca Luis L.
Published: September 2021

Plasmodium knowlesi,a model malaria parasite, is responsible for a significant portion of zoonotic malaria cases in Southeast Asia and must be controlled to avoid disease severity and fatalities. However, little is known about the host-parasite interactions and molecular mechanisms in play during the course ofP. knowlesimalaria infections, which also may be relevant acrossPlasmodiumspecies. Here we contrastP. knowlesisporozoite-initiated infections inMacaca mulattaandMacaca fascicularisusing whole blood RNA-sequencing and transcriptomic analysis. These macaque hosts are evolutionarily close, yet malaria-naïveM. mulattawill succumb to blood-stage infection without treatment, whereas malaria-naïveM. fasciculariscontrols parasitemia without treatment. This comparative analysis reveals transcriptomic differences as early as the liver phase of infection, in the form of signaling pathways that are activated inM. fascicularis, but notM. mulatta. Additionally, while most immune responses are initially similar during the acute stage of the blood infection, significant differences arise subsequently. The observed differences point to prolonged inflammation and anti-inflammatory effects of IL10 inM. mulatta, whileM. fascicularisundergoes a transcriptional makeover towards cell proliferation, consistent with its recovery. Together, these findings suggest that timely detection ofP. knowlesiinM. fascicularis, coupled with control of inflammation while initiating the replenishment of key cell populations, helps contain the infection. Overall, this study points to specific genes and pathways that could be investigated as a basis for new drug targets that support recovery from acute malaria.
Vm-related extracellular potentials observed in red blood cells
Authors: Hughes Michael Pycraft , Kruchek Emily J. , Beale Andrew D. , Kitcatt Stephen J. , Qureshi Sara , Trott Zachary P. , Charbonnel Oriane , Agbaje Paul A. , Henslee Erin A. , Dorey Robert A. , Lewis Rebecca , Labeed Fatima H.
Published: September 2021

Even in nonexcitable cells, the membrane potential Vm is fundamental to cell function, with roles from ion channel regulation, development, to cancer metastasis. Vm arises from transmembrane ion concentration gradients; standard models assume homogeneous extracellular and intracellular ion concentrations, and that Vm only exists across the cell membrane and has no significance beyond it. Using red blood cells, we show that this is incorrect, or at least incomplete; Vm is detectable beyond the cell surface, and modulating Vm produces quantifiable and consistent changes in extracellular potential. Evidence strongly suggests this is due to capacitive coupling between Vm and the electrical double layer, rather than molecular transporters. We show that modulating Vm changes the extracellular ion composition, mimicking the behaviour if voltage-gated ion channels in non-excitable channels. We also observed Vm-synchronised circadian rhythms in extracellular potential, with significant implications for cell–cell interactions and cardiovascular disease.
Revealing semantic and emotional structure of suicide notes with cognitive network science
Authors: Teixeira Andreia Sofia , Talaga Szymon , Swanson Trevor James , Stella Massimo
Published: September 2021

Understanding how people who commit suicide perceive their cognitive states and emotions represents an important open scientific challenge. We build upon cognitive network science, psycholinguistics and semantic frame theory to introduce a network representation of suicidal ideation as expressed in multiple suicide notes. By reconstructing the knowledge structure of such notes, we reveal interconnections between the ideas and emotional states of people who committed suicide through an analysis of emotional balance motivated by structural balance theory, semantic prominence and emotional profiling. Our results indicate that connections between positively- and negatively-valenced terms give rise to a degree of balance that is significantly higher than in a null model where the affective structure is randomized and in a linguistic baseline model capturing mind-wandering in absence of suicidal ideation. We show that suicide notes are affectively compartmentalized such that positive concepts tend to cluster together and dominate the overall network structure. Notably, this positive clustering diverges from perceptions of self, which are found to be dominated by negative, sad conceptual associations in analyses based on subject-verb-object relationships and emotional profiling. A key positive concept is “love”, which integrates information relating the self to others and is semantically prominent across suicide notes. The emotions constituting the semantic frame of “love” combine joy and trust with anticipation and sadness, which can be linked to psychological theories of meaning-making as well as narrative psychology. Our results open new ways for understanding the structure of genuine suicide notes and may be used to inform future research on suicide prevention.
Indirect assessment of biomass accumulation in a wastewater-based Chlorella vulgaris photobioreactor by pH variation
Authors: Otim Francesca Nyega , Chen I-Ru , Otim Ochan
Published: September 2021

Algae bloom in coastal waters is partly supported by residual nutrients in treated wastewater (WW) released from coastally located treatment plants. In response, a Chlorella vulgaris-based photobioreactor was recently proposed for lowering nutrient levels in WW prior to release. However, the solution requires maintaining biomass accumulation to within a photobioreactor capacity for optimum operation. For high density Chlorella vulgaris suspensions, this is easily done by monitoring turbidity increase, a property directly related to biomass accumulation. For low density suspensions however, direct turbidity measurement would require a cumbersome process of concentrating large volumes of Chlorella vulgaris suspensions. Here, we demonstrate that by measuring pH of the suspensions, turbidity (T) can be estimated indirectly by the following wastewater-dependent expression: pH = aT + pH0, hence avoiding the need to concentrate large volumes. The term pH0 is the initial pH of the suspensions and a, a wastewater-dependent constant, can be computed independently from a = − 0.0061*pH0 + 0.052. In the event %WW is unknown, the following wastewater-independent Gaussian expression can be used to estimate T: pH = 8.71*exp(− [(T − 250)2]/[2*1.26E05]). These three equations should offer an avenue for monitoring the turbidity of dilute Chlorella vulgaris suspensions in large, stagnant municipal Chlorella vulgaris-based wastewater treatment system via pH measurements.
Evaluation of JATSdecoder as an automated text extraction tool for statistical results in scientific reports
Authors: Böschen Ingmar
Published: September 2021

The extraction of statistical results in scientific reports is beneficial for checking studies on plausibility and reliability. The R packageJATSdecodersupports the application of text mining approaches to scientific reports. Its functionget.stats()extracts all reported statistical results from text and recomputespvalues for most standard test results. The output can be reduced to results with checkable or computablepvalues only. In this article,get.stats()’s ability to extract, recompute and check statistical results is compared to that ofstatcheck, which is an already established tool. A manually coded data set, containing the number of statistically significant results in 49 articles, serves as an initial indicator forget.stats()’s andstatcheck’s differing detection rates for statistical results. Further 13,531 PDF files by 10 mayor psychological journals, 18,744 XML documents byFrontiers of Psychologyand 23,730 articles related to psychological research and published byPLoS Oneare scanned for statistical results with both algorithms.get.stats()almost replicates the manually extracted number of significant results in 49 PDF articles.get.stats()outperforms thestatcheckfunctions in identifying statistical results in every included journal and input format. Furthermore, the raw results extracted byget.stats()increasestatcheck’s detection rate.JATSdecoder’s functionget.stats()is a highly general and reliable tool to extract statistical results from text. It copes with a wide range of textual representations of statistical standard results and recomputespvalues for two- and one-sided tests. It facilitates manual and automated checks on consistency and completeness of the reported results within a manuscript.
Capacity differences in working memory based on resting state brain networks
Authors: Osaka Mariko , Kaneda Mizuki , Azuma Miyuki , Yaoi Ken , Shimokawa Tetsuya , Osaka Naoyuki
Published: September 2021

Herein, we compared the connectivity of resting-state networks between participants with high and low working memory capacity groups. Brain network connectivity was assessed under both resting and working memory task conditions. Task scans comprised dual-task (reading sentences while memorizing target words) and single-task (reading sentences) conditions. The low capacity group showed relatively stronger connectivity during resting-state in most brain regions, and the high capacity group showed a stronger connectivity between the medial prefrontal and posterior parietal cortices. During task performance, the dorsal attention and salience networks were relatively strongly connected in the high capacity group. In the comparison between dual- and single-task conditions, increased coupling between the anterior cingulate cortex and other attentional control-related areas were noted in the high capacity group. These findings suggest that working memory differences are related with network connectivity variations in attentional control-associated regions during both resting and task performance conditions.
Collagen fibers provide guidance cues for capillary regrowth during regenerative angiogenesis in zebrafish
Authors: Senk Anita , Djonov Valentin
Published: September 2021

Although well investigated, the importance of collagen fibers in supporting angiogenesis is not well understood. In this study, we demonstrate that extracellular collagen fibers provide guidance cues for endothelial cell migration during regenerative angiogenesis in the caudal zebrafish fin. Inhibition of collagen cross-linking by β-Aminopropionitrile results in a 70% shorter regeneration area with 50% reduced vessel growth and disintegrated collagen fibers. The disrupted collagen scaffold impedes endothelial cell migration and induces formation of abnormal angioma-like blood vessels. Treatment of the Fli//colRN zebrafish line with the prodrug Nifurpirinol, which selectively damages the active collagen-producing 1α2 cells, reduced the regeneration area and vascular growth by 50% with wider, but less inter-connected, capillary segments. The regenerated area contained larger vessels partially covered by endothelial cells embedded in atypical extracellular matrix containing cell debris and apoptotic bodies, macrophages and granulocytes. Similar experiments performed in early embryonic zebrafish suggested that collagens are important also during embryonic angiogenesis. In vitro assays revealed that collagen I allows for the most efficient endothelial cell migration, followed by collagen IV relative to the complete absence of exogenous matrix support. Our data demonstrates severe vascular defects and restricted fin regeneration when collagens are impaired. Collagen I therefore, provides support and guidance for endothelial cell migration while collagen IV is responsible for proper lumen formation and vascular integrity.
Identification of new reference genes with stable expression patterns for gene expression studies using human cancer and normal cell lines
Authors: Rácz Gergely Attila , Nagy Nikolett , Tóvári József , Apáti Ágota , Vértessy Beáta G.
Published: September 2021

Reverse transcription—quantitative real-time PCR (RT-qPCR) is a ubiquitously used method in biological research, however, finding appropriate reference genes for normalization is challenging. We aimed to identify genes characterized with low expression variability among human cancer and normal cell lines. For this purpose, we investigated the expression of 12 candidate reference genes in 13 widely used human cancer cell lines (HeLa, MCF-7, A-549, K-562, HL-60(TB), HT-29, MDA-MB-231, HCT 116, U-937, SH-SY5Y, U-251MG, MOLT-4 and RPMI-8226) and, in addition, 7 normal cell lines (HEK293, MRC-5, HUVEC/TERT2, HMEC, HFF-1, HUES 9, XCL-1). In our set of genes, we included SNW1 and CNOT4 as novel candidate reference genes based on the RNA HPA cell line gene data from The Human Protein Atlas. HNRNPL and PCBP1 were also included along with the „classical” reference genes ACTB, GAPDH, IPO8, PPIA, PUM1, RPL30, TBP and UBC. Results were evaluated using GeNorm, NormFiner, BestKeeper and the Comparative ΔCt methods. In conclusion, we propose IPO8, PUM1, HNRNPL, SNW1 and CNOT4 as stable reference genes for comparing gene expression between different cell lines. CNOT4 was also the most stable gene upon serum starvation.
Pharmacological modulation of fish-induced depth selection in D. magna: the role of cholinergic and GABAergic signalling
Authors: Bedrossiantz Juliette , Fuertes Inmaculada , Raldua Demetrio , Barata Carlos
Published: September 2021

Animal behaviour is closely related to individual fitness, which allows animals to choose suitable mates or avoid predation. The central nervous system regulates many aspects of animal behaviour responses. Therefore, behavioural responses can be especially sensitive to compounds with a neurodevelopmental or neurofunctional mode of action. Phototactic behavioural changes against fish in the freshwater crustacean Daphnia magna have been the subject of many ecological investigations. The aim of this study was to identify which neurotransmitter systems modulate phototactic behaviour to fish kairomones. We used a positive phototactic D. magna clone (P132,85) that shows marked negative phototactism after exposure to fish kairomones. Treatments included up to 16 known agonists and antagonists of the serotonergic, cholinergic, dopaminergic, histaminergic, glutamatergic and GABAergic systems. It was hypothesized that many neurological signalling pathways may modulate D. magna phototactic behaviour to fish kairomones. A new custom-designed device with vertically oriented chambers was used, and changes in the preferred areas (bottom, middle, and upper areas) were analysed using groups of animals after 24 h of exposure to the selected substance(s). The results indicated that agonists of the muscarinic acetylcholine and GABAA receptors and their equi-effective mixture ameliorated the negative phototactic response to fish kairomones, whereas antagonists and their mixtures increased the negative phototactism to fish kairomones. Interestingly, inhibition of the muscarinic acetylcholine receptor abolished positive phototaxis, thus inducing the phototactic response to fish kairomones. Analysis of the profile of neurotransmitters and their related metabolites showed that the D. magna behavioural responses induced by fish depend on changes in the levels of acetylcholine, dopamine and GABA.
Quantitative modeling of the impact of facemasks and associated leakage on the airborne transmission of SARS-CoV-2
Authors: Schmitt Jean , Wang Jing
Published: September 2021

The ongoing worldwide outbreak of COVID-19 has set personal protective equipment in the spotlight. A significant number of countries impose the use of facemasks in public spaces and encourage it in the private sphere. Even in countries where relatively high vaccination rates are achieved at present, breakthrough infections have been frequently reported and usage of facemasks in certain settings has been recommended again. Alternative solutions, including community masks fabricated using various materials, such as cotton or jersey, have emerged alongside facemasks following long-established standards (e.g., EN 149, EN 14683). In the present work, we present a computational model to calculate the ability of different types of facemasks to reduce the exposure to virus-laden respiratory particles, with a focus on the relative importance of the filtration properties and the fitting on the wearer’s face. The model considers the facemask and the associated leakage, the transport of respiratory particles and their accumulation around the emitter, as well as the fraction of the inhaled particles deposited in the respiratory system. Different levels of leakages are considered to represent the diversity of fittings likely to be found among a population of non-trained users. The leakage prevails over the filtration performance of a facemask in determining the exposure level, and the ability of a face protection to limit leakages needs to be taken into account to accurately estimate the provided protection. Filtering facepieces (FFP) provide a better protection efficiency than surgical and community masks due to their higher filtration efficiency and their ability to provide a better fit and thus reduce the leakages. However, an improperly-fitted FFP mask loses a critical fraction of its protection efficiency, which may drop below the protection level provided by properly-worn surgical and community masks.
The value of gut microbiota to predict feed efficiency and growth of rabbits under different feeding regimes
Authors: Velasco-Galilea María , Piles Miriam , Ramayo-Caldas Yuliaxis , Sánchez Juan P.
Published: September 2021

Gut microbiota plays an important role in nutrient absorption and could impact rabbit feed efficiency. This study aims at investigating such impact by evaluating the value added by microbial information for predicting individual growth and cage phenotypes related to feed efficiency. The dataset comprised individual average daily gain and cage-average daily feed intake from 425 meat rabbits, in which cecal microbiota was assessed, and their cage mates. Despite microbiota was not measured in all animals, consideration of pedigree relationships with mixed models allowed the study of cage-average traits. The inclusion of microbial information into certain mixed models increased their predictive ability up to 20% and 46% for cage-average feed efficiency and individual growth traits, respectively. These gains were associated with large microbiability estimates and with reductions in the heritability estimates. However, large microbiabililty estimates were also obtained with certain models but without any improvement in their predictive ability. A large proportion of OTUs seems to be responsible for the prediction improvement in growth and feed efficiency traits, although specific OTUs taxonomically assigned to 5 different phyla have a higher weight. Rabbit growth and feed efficiency are influenced by host cecal microbiota, thus considering microbial information in models improves the prediction of these complex phenotypes.
Socioeconomic differences in handgrip strength and its association with measures of intrinsic capacity among older adults in six middle-income countries
Authors: Arokiasamy P. , Selvamani Y. , Jotheeswaran A. T. , Sadana Ritu
Published: September 2021

Handgrip strength, a measure of muscular strength is a powerful predictor of declines in intrinsic capacity, functional abilities, the onset of morbidity and mortality among older adults. This study documents socioeconomic (SES) differences in handgrip strength among older adults aged 50 years and over in six middle-income countries and investigates the association of handgrip strength with measures of intrinsic capacity—a composite of all the physical and mental capacities of an individual. Secondary data analysis of cross-sectional population-based data from six countries from the WHO’s Study on global AGEing and adult health (SAGE) Wave 1 were conducted. Three-level linear hierarchical models examine the association of demographic, socioeconomic status and multimorbidity variables with handgrip strength. Regression-based Relative Index of Inequality (RII) examines socioeconomic inequalities in handgrip strength; and multilevel linear and logistic hierarchical regression models document the association between handgrip strength and five domains of intrinsic capacity: locomotion, psychological, cognitive capacity, vitality and sensory. Wealth quintiles are positively associated with handgrip strength among men across all countries except South Africa while the differences by education were notable for China and India. Work and nutritional status are positively associated with handgrip strength. Our findings provide new evidence of robust association between handgrip strength and other measures of intrinsic capacity and confirms that handgrip strength is a single most important measure of capacity among older persons.
Application of FLIC model to predict adverse events onset in neuroendocrine tumors treated with PRRT
Authors: Scalorbi Federica , Argiroffi Giovanni , Baccini Michela , Gherardini Luca , Fuoco Valentina , Prinzi Natalie , Pusceddu Sara , Garanzini Enrico Matteo , Centonze Giovanni , Kirienko Margarita , Seregni Ettore , Milione Massimo , Maccauro Marco
Published: September 2021

To develop predictive models of side effect occurrence in GEPNET treated with PRRT. Metastatic GEPNETs patients treated in our centre with PRRT (177Lu-Oxodotreotide) from 2019 to 2020 were considered. Haematological, liver and renal toxicities were collected and graded according to CTCAE v5. Patients were grouped according with ECOG-PS, number of metastatic sites, previous treatment lines and therapies received before PRRT. A FLIC model with backward selection was used to detect the most relevant predictors. A subsampling approach was implemented to assess variable selection stability and model performance. Sixty-seven patients (31 males, 36 females, mean age 63) treated with PRRT were considered and followed up for 30 weeks from the beginning of the therapy. They were treated with PRRT as third or further lines in 34.3% of cases. All the patients showed at least one G1–G2, meanwhile G3–G5 were rare events. No renal G3–G4 were reported. Line of PRRT administration, age, gender and ECOG-PS were the main predictors of haematological, liver and renal CTCAE. The model performance, expressed by AUC, was > 65% for anaemia, creatinine and eGFR. The application of FLIC model can be useful to improve GEPNET decision-making, allowing clinicians to identify the better therapeutic sequence to avoid PRRT-related adverse events, on the basis of patient characteristics and previous treatment lines.
Cleaner fish are sensitive to what their partners can and cannot see
Authors: McAuliffe Katherine , Drayton Lindsey A. , Royka Amanda , Aellen Mélisande , Santos Laurie R. , Bshary Redouan
Published: September 2021

Much of human experience is informed by our ability to attribute mental states to others, a capacity known as theory of mind. While evidence for theory of mind in animals to date has largely been restricted to primates and other large-brained species, the use of ecologically-valid competitive contexts hints that ecological pressures for strategic deception may give rise to components of theory of mind abilities in distantly-related taxonomic groups. In line with this hypothesis, we show that cleaner wrasse (Labroides dimidiatus) exhibit theory of mind capacities akin to those observed in primates in the context of their cooperative cleaning mutualism. These results suggest that ecological pressures for strategic deception can drive human-like cognitive abilities even in very distantly related species.
Invasive potential of tropical fruit flies in temperate regions under climate change
Authors: Gutierrez Andrew Paul , Ponti Luigi , Neteler Markus , Suckling David Maxwell , Cure José Ricardo
Published: September 2021

Tropical fruit flies are considered among the most economically important invasive species detected in temperate areas of the United States and the European Union. Detections often trigger quarantine and eradication programs that are conducted without a holistic understanding of the threat posed. Weather-driven physiologically-based demographic models are used to estimate the geographic range, relative abundance, and threat posed by four tropical tephritid fruit flies (Mediterranean fruit fly, melon fly, oriental fruit fly, and Mexican fruit fly) in North and Central America, and the European-Mediterranean region under extant and climate change weather (RCP8.5 and A1B scenarios). Most temperate areas under tropical fruit fly propagule pressure have not been suitable for establishment, but suitability is predicted to increase in some areas with climate change. To meet this ongoing challenge, investments are needed to collect sound biological data to develop mechanistic models to predict the geographic range and relative abundance of these and other invasive species, and to put eradication policies on a scientific basis.
In vitro CSC-derived cardiomyocytes exhibit the typical microRNA-mRNA blueprint of endogenous cardiomyocytes
Authors: Scalise Mariangela , Marino Fabiola , Salerno Luca , Mancuso Teresa , Cappetta Donato , Barone Antonella , Parrotta Elvira Immacolata , Torella Annalaura , Palumbo Domenico , Veltri Pierangelo , De Angelis Antonella , Berrino Liberato , Rossi Francesco , Weisz Alessandro , Rota Marcello , Urbanek Konrad , Nadal-Ginard Bernardo , Torella Daniele , Cianflone Eleonora
Published: September 2021

miRNAs modulate cardiomyocyte specification by targeting mRNAs of cell cycle regulators and acting in cardiac muscle lineage gene regulatory loops. It is unknown if or to-what-extent these miRNA/mRNA networks are operative during cardiomyocyte differentiation of adult cardiac stem/progenitor cells (CSCs). Clonally-derived mouse CSCs differentiated into contracting cardiomyocytes in vitro (iCMs). Comparison of “CSCs vs. iCMs” mRNome and microRNome showed a balanced up-regulation of CM-related mRNAs together with a down-regulation of cell cycle and DNA replication mRNAs. The down-regulation of cell cycle genes and the up-regulation of the mature myofilament genes in iCMs reached intermediate levels between those of fetal and neonatal cardiomyocytes. Cardiomyo-miRs were up-regulated in iCMs. The specific networks of miRNA/mRNAs operative in iCMs closely resembled those of adult CMs (aCMs). miR-1 and miR-499 enhanced myogenic commitment toward terminal differentiation of iCMs. In conclusions, CSC specification/differentiation into contracting iCMs follows known cardiomyo-MiR-dependent developmental cardiomyocyte differentiation trajectories and iCMs transcriptome/miRNome resembles that of CMs.
Orientations and water dynamics of photoinduced secondary charge-separated states for magnetoreception by cryptochrome
Authors: Hamada Misato , Iwata Tatsuya , Fuki Masaaki , Kandori Hideki , Weber Stefan , Kobori Yasuhiro
Published: September 2021

In the biological magnetic compass, blue-light photoreceptor protein of cryptochrome is thought to conduct the sensing of the Earth’s magnetic field by photoinduced sequential long-range charge-separation (CS) through a cascade of tryptophan residues, WA(H), WB(H) and WC(H). Mechanism of generating the weak-field sensitive radical pair (RP) is poorly understood because geometries, electronic couplings and their modulations by molecular motion have not been investigated in the secondary CS states generated prior to the terminal RP states. In this study, water dynamics control of the electronic coupling is revealed to be a key concept for sensing the direction of weak magnetic field. Geometry and exchange coupling (singlet–triplet energy gap: 2J) of photoinduced secondary CS states composed of flavin adenine dinucleotide radical anion (FAD−•) and radical cation WB(H)+• in the cryptochrome DASH from Xenopus laevis were clarified by time-resolved electron paramagnetic resonance. We found a time-dependent energetic disorder in 2J and was interpreted by a trap CS state capturing one reorientated water molecule at 120 K. Enhanced electron-tunneling by water-libration was revealed for the terminal charge-separation event at elevated temperature. This highlights importance of optimizing the electronic coupling for regulation of the anisotropic RP yield on the possible magnetic compass senses.
Coupled social and land use dynamics affect dietary choice and agricultural land-use extent
Authors: Pal Saptarshi , Bauch Chris T. , Anand Madhur
Published: September 2021

Dietary patterns have long been a driver of global land use. Increasingly, they also respond to it, in part because of social processes that support adoption of eco-conscious diets. Here we develop a coupled social-and-land use mathematical model parameterised for 153 countries. We project global land use for future population, income, and agricultural yield using our coupled dynamical model. We find that coupled social-and-land feedbacks can alter the peak global land use for agriculture by up to 2 billion hectares, depending on the parameter regime. Across all yield scenarios, the model projects that social dynamics will cause an increase in eco-conscious dietary behaviour until the middle of the 21st century, after which it will decline in response to declining land use caused by a shrinking global population. The model also exhibits a regime of synergistic effects whereby simultaneous changes to multiple socio-economic parameters are required to change land use projections. This research demonstrates the value of including coupled social-and-land feedbacks in land use projections.
Comparison of photoactivatable crosslinkers for in-gel immunoassays
Authors: Tan Kristine Y. , Desai Surbhi , Raja Erum , Etienne Chris , Webb Brian , Herr Amy E.
Published: September 2021

Diazirine-functionalized hydrogels have lower fluorescence background signal compared to benzophenone-functionalized hydrogels for in-gel immunoassays and can improve the lower limit of detection of fluorescence immunoassays.
The in vivo fate of tobacco mosaic virus nanoparticle theranostic agents modified by the addition of a polydopamine coat
Authors: Nkanga Christian Isalomboto , Chung Young Hun , Shukla Sourabh , Zhou Jingcheng , Jokerst Jesse V. , Steinmetz Nicole F.
Published: September 2021

The coating of tobacco mosaic virus (TMV) nanoparticles Gd-Cy5-TMV with polydopamine (PDA) increased protein corona formation and shortened plasma circulation, but minimized recognition by anti-TMV antibodies, and extended organ distribution/clearance.
Loquacious-PD regulates the terminus-dependent molecular recognition of Dicer-2 toward double-stranded RNA
Authors: Jonely McKenzie , Singh Raushan K. , Donelick Helen M. , Bass Brenda L. , Noriega Rodrigo
Published: September 2021

Loquacious-PD modulates the molecular recognition event between Dicer-2 and its dsRNA targets, removing Dicer-2′s selectivity toward dsRNA terminus structure.
Highly stereoselective syntheses of (E)-δ-boryl-anti-homoallylic alcohols via allylation with α-boryl-(E)-crotylboronate
Authors: Liu Jiaming , Chen Ming
Published: September 2021

A highly stereoselective synthesis of (E)-δ-boryl-anti-homoallylic alcohols is developed.
Synthesis of polycyclic spiroindolines via the cascade reaction of 3-(2-isocyanoethyl)indoles
Authors: Li Haizhen , Wu Jinyu , Zheng Jianfeng , Li Wei-Dong Z.
Published: September 2021

Tandem reactions of the yttrium(iii) catalyzed ring-opening reaction of 3-(2-isocyanoethyl)indoles with 2,2′-diester aziridines and the subsequent Friedel–Crafts/Mannich/desulfonylation were described.
Zwitterionic side chain-modified conjugated polymers with greatly enhanced ambipolar charge-transport mobilities
Authors: Liu Li-Na , Khlil Maria , Li Jia , Xu Zi-Wen , Xie Guanghui , Li Jingjing , Gao Xike , Li Hongxiang , Yao Jianhua , Li Wei-Shi
Published: September 2021

Both the hole and electron mobilities of an ambipolar polymer have been improved by integrating a small amount of the 3-(hexyldimethylammonio)propane-1-sulfonate zwitterionic side chain.
Influence of the POuN4−u structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT study
Authors: Henkel Pascal , Janek Jürgen , Mollenhauer Doreen
Published: September 2021

The formation and transport of Li vacancies and Li interstitial ions in LIPON was investigated as a function of the POuN4−u structural units and their cross-linking.
Modelling of high-temperature order–disorder phase transitions of non-stoichiometric Mo2C and Ti2C from first principles
Authors: Borge-Durán Ignacio , Aias Denial , Grinberg Ilya
Published: September 2021

We constructed a simple atomistic potential capable of accurately reproducing the energetics of the carbon vacancy arrangements in cubic Mo2C and Ti2C obtained from density functional theory (DFT) calculations.
Engineering the electronic band structure and thermoelectric performance of GeTe via lattice structure manipulation from first-principles
Authors: Wang Tianyu , Zhang Chun , Yang Jia-Yue , Liu Linhua
Published: September 2021

Atomic reciprocal displacement manipulates energy levels, indirect–direct band-gap transition and Rashba splitting of GeTe, and improves its thermoelectric performance.
Lead calix[n]arenes (n = 4, 6, 8): structures and ring opening homo-/co-polymerization capability for cyclic esters
Authors: Xing Tian , Prior Timothy J. , Redshaw Carl
Published: September 2021

Multi-metallic lead calix[4, 6 and 8]arenes have been structurally characterized and employed in the ring opening polymerization of ε-caprolactone (ε-CL), δ-valerolactone (δ-VL) and r-lactide; the copolymerization of ε-CL and δ-VL was also conducted.
A plug-and-play chemobiocatalytic route for the one-pot controllable synthesis of biobased C4 chemicals from furfural
Authors: Huang Yi-Min , Lu Guang-Hui , Zong Min-Hua , Cui Wen-Jing , Li Ning
Published: September 2021

A plug-and-play chemobiocatalytic route was constructed for the one-pot controllable synthesis of biobased C4 chemicals from furfural.
Direct one-pot synthesis of ordered mesoporous carbons from lignin with metal coordinated self-assembly
Authors: Wang Xiaoqi , Liu Xiaoning , Smith Richard Lee , Liang Yining , Qi Xinhua
Published: September 2021

This work reports one-pot synthesis of metal-linked OMCs, using lignin from agricultural waste sources as a sole carbon precursor, through coordinated interactions between lignin functional groups and metal ligands with classical solvent evaporation induced self-assembly.
Separation and determination of Cr(iii) and Cr(vi) in aqueous solution using laser-induced breakdown spectroscopy coupled with resin substrate preconcentration
Authors: Zheng Peichao , Ding Ning , Wang Jinmei , Zhao Huaidong , Liu Ranning , Yang Yang
Published: September 2021

The direct determination of analytes in aqueous solution using laser-induced breakdown spectroscopy (LIBS) has several difficulties, including low spectral signal, poor stability, and rapid quenching of the plasma.
Morphology-induced spectral modification of self-assembled WS2 pyramids
Authors: Komen Irina , van Heijst Sabrya E. , Conesa-Boj Sonia , Kuipers L.
Published: September 2021

We characterize the optical response of hollow WS2 pyramids, that exhibit a strongly reduced photoluminescence with respect to horizontally layered WS2. Studying the position dependence of the spectral Raman features reveals local variations in the atomic arrangement.
Rapid recognition of fatal cyanide in water in a wide pH range by a trifluoroacetamido based metal–organic framework
Authors: Rana Abhijeet , Gogoi Chiranjib , Ghosh Subhrajyoti , Nandi Soutick , Kumar Saurav , Manna Uttam , Biswas Shyam
Published: September 2021

A trifluoroacetamido functionalized Hf-MOF is presented for the selective and fast fluorescence turn-on detection of toxic CN− ions in aqueous environment with tremendous fold increment in fluorescence intensity.
Magnetic relaxation in two chain-like Zn2Dy2Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical
Authors: Liu Cai-Ming , Hao Xiang
Published: September 2021

Two chain-like Zn–Dy anilate radical coordination polymers with Schiff base ligands show magnetic relaxation behaviors.
A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters
Authors: Marras Valentina , Caboni Pierluigi , Secci Francesco , Guillot Régis , Aitken David J. , Frongia Angelo
Published: September 2021

We have established a Brønsted acid catalyzed diastereoselective synthesis of diversely substituted cyclobuta-fused tetrahydroquinoline carboxylic esters through a new tandem aza-Michael addition-aza-Friedel–Crafts cyclization process.
First-principles study on the electronic and optical properties of Bi2WO6
Authors: Ahmad Haseeb , Rauf Ali , Ahmad Afaq , Ulhaq Ata , Muhammad Shoaib
Published: September 2021

The nature of the band gap obtained from SOC and QP corrections changes to indirect. The semi-core states of Bi have been proved to be crucial in the GW calculations. Optical absorption from BSE, including SOC best matches the experimental data.
A new simple, highly sensitive and selective spectrofluorimetric method for the speciation of thallium at pico-trace levels in various complex matrices usingN-(pyridin-2-yl)-quinoline-2-carbothioamide
Authors: Ahmed Mohammed Jamaluddin , Mia Muhammad Lajin
Published: September 2021

A very simple and non-extractive new spectrofluorimetric method for the determination of TlIand TlIIIindividually and for mixtures of both analytes at pico-trace levels usingN-(pyridin-2-yl)-quinoline-2-carbothioamide (PQCTA) has been developed.