bluuebunny/crossref_metadata_2025 huggingface dataset:
Prediction of breast cancer proteins involved in immunotherapy, metastasis, and RNA-binding using molecular descriptors and artificial neural networks
Authors: López-Cortés Andrés , Cabrera-Andrade Alejandro , Vázquez-Naya José M. , Pazos Alejandro , Gonzáles-Díaz Humberto , Paz-y-Miño César , Guerrero Santiago , Pérez-Castillo Yunierkis , Tejera Eduardo , Munteanu Cristian R.
Published: May 2020

Breast cancer (BC) is a heterogeneous disease where genomic alterations, protein expression deregulation, signaling pathway alterations, hormone disruption, ethnicity and environmental determinants are involved. Due to the complexity of BC, the prediction of proteins involved in this disease is a trending topic in drug design. This work is proposing accurate prediction classifier for BC proteins using six sets of protein sequence descriptors and 13 machine-learning methods. After using a univariate feature selection for the mix of five descriptor families, the best classifier was obtained using multilayer perceptron method (artificial neural network) and 300 features. The performance of the model is demonstrated by the area under the receiver operating characteristics (AUROC) of 0.980 ± 0.0037, and accuracy of 0.936 ± 0.0056 (3-fold cross-validation). Regarding the prediction of 4,504 cancer-associated proteins using this model, the best ranked cancer immunotherapy proteins related to BC were RPS27, SUPT4H1, CLPSL2, POLR2K, RPL38, AKT3, CDK3, RPS20, RASL11A and UBTD1; the best ranked metastasis driver proteins related to BC were S100A9, DDA1, TXN, PRNP, RPS27, S100A14, S100A7, MAPK1, AGR3 and NDUFA13; and the best ranked RNA-binding proteins related to BC were S100A9, TXN, RPS27L, RPS27, RPS27A, RPL38, MRPL54, PPAN, RPS20 and CSRP1. This powerful model predicts several BC-related proteins that should be deeply studied to find new biomarkers and better therapeutic targets. Scripts can be downloaded athttps://github.com/muntisa/neural-networks-for-breast-cancer-proteins.
Bacterial communities associated with the surface of fresh sweet pepper (Capsicum annuum) and their potential as biocontrol
Authors: Mamphogoro Tshifhiwa Paris , Maboko Martin Makgose , Babalola Olubukola Oluranti , Aiyegoro Olayinka Ayobami
Published: May 2020

Fresh produce vegetables are colonized by different bacterial species, some of which are antagonistic to microbes that cause postharvest losses. However, no comprehensive assessment of the diversity and composition of bacteria inhabiting surfaces of fresh pepper plants grown under different conditions has been conducted. In this study, 16S rRNA amplicon sequencing was used to reveal bacterial communities inhabiting the surfaces of red and green pepper (fungicides-treated and non-fungicides-treated) grown under hydroponic and open field conditions. Results revealed that pepper fruit surfaces were dominated by bacterial phylum Proteobacteria, Firmicutes, Actinobacteria, and, Bacteroidetes. The majority of the bacterial operation taxonomic units (97% similarity cut-off) were shared between the two habitats, two treatments, and the two pepper types. Phenotypic predictions (at phylum level) detected a high abundance of potentially pathogenic, biofilm-forming, and stress-tolerant bacteria on samples grown on open soils than those from hydroponic systems. Furthermore, bacterial species of genera mostly classified as fungal antagonists including; Acinetobacter, Agrobacterium, and Burkholderia were the most abundant on the surfaces. These results suggest that peppers accommodate substantially different bacterial communities with antagonistic activities on their surfaces, independent of employed agronomic strategies and that the beneficial bacterial strains maybe more important for peppers established on open fields, which seems to be more vulnerable to abiotic and biotic stresses.
Agonist-induced phosphorylation bar code and differential post-activation signaling of the delta opioid receptor revealed by phosphosite-specific antibodies
Authors: Mann Anika , Liebetrau Sophia , Klima Marie , Dasgupta Pooja , Massotte Dominique , Schulz Stefan
Published: May 2020

The δ-opioid receptor (DOP) is an attractive pharmacological target due to its potent analgesic, anxiolytic and anti-depressant activity in chronic pain models. However, some but not all selective DOP agonists also produce severe adverse effects such as seizures. Thus, the development of novel agonists requires a profound understanding of their effects on DOP phosphorylation, post-activation signaling and dephosphorylation. Here we show that agonist-induced DOP phosphorylation at threonine 361 (T361) and serine 363 (S363) proceeds with a temporal hierarchy, with S363 as primary site of phosphorylation. This phosphorylation is mediated by G protein-coupled receptor kinases 2 and 3 (GRK2/3) followed by DOP endocytosis and desensitization. DOP dephosphorylation occurs within minutes and is predominantly mediated by protein phosphatases (PP) 1α and 1β. A comparison of structurally diverse DOP agonists and clinically used opioids demonstrated high correlation between G protein-dependent signaling efficacies and receptor internalization. In vivo, DOP agonists induce receptor phosphorylation in a dose-dependent and agonist-selective manner that could be blocked by naltrexone in DOP-eGFP mice. Together, our studies provide novel tools and insights for ligand-activated DOP signaling in vitro and in vivo and suggest that DOP agonist efficacies may determine receptor post-activation signaling.
Detrimental effects of flame retardant, PBB153, exposure on sperm and future generations
Authors: Greeson Katherine Watkins , Fowler Kristen L. , Estave Paige M. , Kate Thompson S. , Wagner Chelsea , Clayton Edenfield R. , Symosko Krista M. , Steves Alyse N. , Marder Elizabeth M. , Terrell Metrecia L. , Barton Hillary , Koval Michael , Marcus Michele , Easley Charles A.
Published: May 2020

In 1973, the Velsicol Chemical Company, which manufactured FireMaster, a brominated flame retardant, and NutriMaster, a nutritional supplement, mistakenly shipped hundreds of pounds of FireMaster to grain mills around Michigan where it was incorporated into animal feed and then into the food chain across the state. An estimated 6.5 million Michigan residents consumed polybrominated biphenyl (PBB)-laced animal products leading to one of the largest agricultural accidents in U.S. history. To date, there have been no studies investigating the effects of PBB on epigenetic regulation in sperm, which could explain some of the endocrine-related health effects observed among children of PBB-exposed parents. Fusing epidemiological approaches with a novel in vitro model of human spermatogenesis, we demonstrate that exposure to PBB153, the primary component of FireMaster, alters the epigenome in human spermatogenic cells. Using our novel stem cell-based spermatogenesis model, we show that PBB153 exposure decreases DNA methylation at regulatory elements controlling imprinted genes. Furthermore, PBB153 affects DNA methylation by reducing de novo DNA methyltransferase activity at increasing PBB153 concentrations as well as reducing maintenance DNA methyltransferase activity at the lowest tested PBB153 concentration. Additionally, PBB153 exposure alters the expression of genes critical to proper human development. Taken together, these results suggest that PBB153 exposure alters the epigenome by disrupting methyltransferase activity leading to defects in imprint establishment causing altered gene expression, which could contribute to health concerns in the children of men exposed to PBB153. While this chemical is toxic to those directly exposed, the results from this study indicate that the epigenetic repercussions may be detrimental to future generations. Above all, this model may be expanded to model a multitude of environmental exposures to elucidate the effect of various chemicals on germline epigenetics and how paternal exposure may impact the health of future generations.
Incidence of pulmonary tuberculosis in Chinese adults with type 2 diabetes: a retrospective cohort study in Shanghai
Authors: Li Yanyun , Guo Juntao , Xia Tian , Wu Fei , Tian Jingyan , Cheng Minna , Xu Wanghong , Yang Qinping , Chen Jing , Wu Zheyuan , Yan Qinghua , Shi Yan , Wu Fan
Published: May 2020

To estimate the incidence of pulmonary tuberculosis (PTB) in Chinese diabetes patients and to evaluate the effect of blood glucose on PTB risk, a retrospective cohort study was built based on the diabetes management system in Shanghai and included 240,692 adults aged 35 or above. Incidences of PTB in all diabetes patients and by subgroups were calculated and compared. Multivariable Cox regression models with restricted cubic splines were used to evaluate the association of fasting plasma glucose (FPG) with the risk of PTB. A total of 439 incident PTB cases were identified in the cohort after an average of 3.83 years of follow-up. The overall PTB incidence rate was 51.3/100,000 in diabetes patients, and annual incidence remained higher than that in general population. The PTB incidence rate of diabetes patients was higher in men than in women (86.2 vs. 22.1 per 100,000) and was highest in patients with body mass index (BMI) < 18.5 kg/m2(215.2/100,000) or FPG ≥ 10 mmol/L (143.2/100,000). Our results suggest that the risk of tuberculosis may be greater at higher levels of FPG in diabetes patients of normal weight. Specific tuberculosis screening strategies for different characteristic diabetes population should be provided to prevent and control tuberculosis in China.
Contribution of medico-administrative data to the development of a comorbidity score to predict mortality in End-Stage Renal Disease patients
Authors: Pladys Adélaïde , Vigneau Cécile , Raffray Maxime , Sautenet Bénédicte , Gentile Stéphanie , Couchoud Cécile , Bayat Sahar
Published: May 2020

Comorbidity scores to predict mortality are very useful to facilitate decision-making for personalized patient management. This study aim was to assess the contribution of medico-administrative data in addition to French Renal Epidemiology and Information Network (REIN) data to the development of a risk score to predict the 1-year all-cause mortality in patients with End Stage Renal Disease (ESRD), and to compare it with previous scores. Data from a derivation sample (n = 6336 patients who started dialysis in 2015 in France) obtained by linking the REIN and the French National Health Insurance Information System databases were analyzed with multivariate Cox models to select risk factors to establish the score. A randomly chosen validation sample (n = 2716 patients who started dialysis in 2015) was used to validate the score and to compare it with the comorbidity indexes developed by Wright and Charlson. The ability to predict one-year mortality of the score constructed using REIN data linked to the medico-administrative database was not higher than that of the score constructed using only REIN data (i.e.,Rennes score). The Rennes score included five comorbidities, albumin, and age. This score (AUC = 0.794, 95%CI: 0.768–0.821) outperformed both the Wright (AUC = 0.631, 95%CI: 0.621–0.639; p < 0.001) and Charlson (AUC = 0.703, 95%CI: 0.689–0.716; p < 0.001) indexes. Data from the REIN registry alone, collected at dialysis start, are sufficient to develop a risk score that can predict the one-year mortality in patients with ESRD. This simple score might help identifying high risk patients and proposing the most adapted care.
Extracellular vesicles from genetically unstable, oncogene-driven cancer cells trigger micronuclei formation in endothelial cells
Authors: Chennakrishnaiah Shilpa , Tsering Thupten , Gregory Caroline , Tawil Nadim , Spinelli Cristiana , Montermini Laura , Karatzas Nicolaos , Aprikian Saro , Choi Dongsic , Klewes Ludger , Mai Sabine , Rak Janusz
Published: May 2020

Oncogenic transformation impacts cancer cell interactions with their stroma, including through formation of abnormal blood vessels. This influence is often attributed to angiogenic growth factors, either soluble, or associated with tumor cell-derived extracellular vesicles (EVs). Here we examine some of the cancer-specific components of EV-mediated tumor-vascular interactions, including the impact of genetic driver mutations and genetic instability. Cancer cells expressing mutant HRAS oncogene exhibit aberrations of chromatin architecture, aneuploidy, cytoplasmic chromatin deposition and formation of micronuclei with a non-random chromosome content. EVs released from such HRAS-driven cells carry genomic DNA, including oncogenic sequences, and transfer this material to endothelial cells while inducing abnormal formation of micronuclei, along with cell migration and proliferation. Micronuclei were also triggered following treatment with EVs derived from glioma cells (and stem cells) expressing EGFRvIII oncogene, and in both endothelial cells and astrocytes. EVs from HRAS and EGFRvIII-driven cancer cells carry 19 common proteins while EVs from indolent control cells exhibit more divergent proteomes. Immortalized endothelial cell lines with disrupted TP53 pathway were refractory to EV-mediated micronuclei induction. We suggest that oncogenic transformation and intercellular trafficking of cancer-derived EVs may contribute to pathological vascular responses in cancer due to intercellular transmission of genomic instability.
Occupational noise exposure and its association with incident hyperglycaemia: a retrospective cohort study
Authors: Chang Ta-Yuan , Yu Tzu-Yi , Liu Chiu-Shong , Young Li-Hao , Bao Bo-Ying
Published: May 2020

Noise pollution is reported to be associated with diabetes, but few studies have elucidated the associations between noise frequency characteristics. We aimed to evaluate the relationships between different noise frequency components and incident hyperglycaemia. An industry-based cohort of 905 volunteers was enrolled and followed up to 2012. Octave-band frequencies of workstation noise and individual noise levels were measured in 2012 to classify subjects’ exposures retrospectively. We applied Cox regression models to estimate the relative risk (RR) of hyperglycaemia. An increased RR for hyperglycaemia of 1.80 (95% confidence interval [CI]: 1.04, 3.10) was found among subjects exposed to ≥ 85 A-weighted decibels (dBA) compared with those exposed to < 70 dBA. The high-exposure groups at frequencies of 31.5, 63, 125, 250, 500, 1000, and 2000 Hz had a significantly higher risk of hyperglycaemia (all p values < 0.050) than the low-exposure groups. A 5-dB increase in noise frequencies at 31.5, 63, 125, 250, 500 Hz, and 1000 Hz was associated with an elevated risk of hyperglycaemia (all p values < 0.050), with the highest value of 1.27 (95% CI: 1.10, 1.47) at 31.5 Hz (p = 0.001). Occupational noise exposure may be associated with an increased incidence of hyperglycaemia, with the highest risk observed at 31.5 Hz.
The strategic combination of trastuzumab emtansine with oncolytic rhabdoviruses leads to therapeutic synergy
Authors: Arulanandam Rozanne , Taha Zaid , Garcia Vanessa , Selman Mohammed , Chen Andrew , Varette Oliver , Jirovec Anna , Sutherland Keara , Macdonald Elizabeth , Tzelepis Fanny , Birdi Harsimrat , Alluqmani Nouf , Landry Anne , Bergeron Anabel , Vanderhyden Barbara , Diallo Jean-Simon
Published: May 2020

We have demonstrated that microtubule destabilizing agents (MDAs) can sensitize tumors to oncolytic vesicular stomatitis virus (VSVΔ51) in various preclinical models of cancer. The clinically approved T-DM1 (Kadcyla®) is an antibody-drug conjugate consisting of HER2-targeting trastuzumab linked to the potent MDA and maytansine derivative DM1. We reveal that combining T-DM1 with VSVΔ51 leads to increased viral spread and tumor killing in trastuzumab-binding, VSVΔ51-resistant cancer cells. In vivo, co-treatment of VSVΔ51 and T-DM1 increased overall survival in HER2-overexpressing, but trastuzumab-refractory, JIMT1 human breast cancer xenografts compared to monotherapies. Furthermore, viral spread in cultured HER2+ human ovarian cancer patient-derived ascites samples was enhanced by the combination of VSVΔ51 and T-DM1. Our data using the clinically approved Kadcyla® in combination with VSVΔ51 demonstrates proof of concept that targeted delivery of a viral-sensitizing molecule using an antibody-drug conjugate can enhance oncolytic virus activity and provides rationale for translation of this approach.
Paclitaxel-terminated peptide brush polymers
Authors: Zhu Jialei , Sun Hao , Callmann Cassandra E. , Thompson Matthew P. , Battistella Claudia , Proetto Maria T. , Carlini Andrea S. , Gianneschi Nathan C.
Published: May 2020

In this paper, we report the preparation of paclitaxel-terminated peptide brush polymers wherein cell uptake and toxicity are tunable based on peptide sequence.
Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction
Authors: Zhong Kai , Yu Chun-Chieh , Dodia Mayank , Bonn Mischa , Nagata Yuki , Ohto Tatsuhiko
Published: May 2020

We develop a frequency correction scheme for the stretch and bending modes of liquid water, which substantially improves the prediction of the vibrational spectra.
Electrochemical biosensor for the simultaneous determination of rheumatoid factor and anti-cyclic citrullinated peptide antibodies in human serum
Authors: Guerrero Sara , Sánchez-Tirado Esther , Martínez-García Gonzalo , González-Cortés Araceli , Yáñez-Sedeño Paloma , Pingarrón José M.
Published: May 2020

A dual electrochemical biosensor for the simultaneous determination of rheumatoid factor (RF) and anti-cyclic citrullinated peptide (CCPA) autoantibodies used as biomarkers for the detection of rheumatoid arthritis autoimmune disease is developed.
An on-chip microfluidic-based electrochemical magneto-immunoassay for the determination of procalcitonin in plasma obtained from sepsis diagnosed preterm neonates
Authors: Molinero-Fernández Águeda , López Miguel Ángel , Escarpa Alberto
Published: May 2020

On-chip microfluidic-based electrochemical magneto-immunoassay for the determination of procalcitonin for neonatal sepsis diagnosis.
Characterization of regulatory T cell expansion for manufacturing cellular immunotherapies
Authors: McBride David A. , Kerr Matthew D. , Wai Shinya L. , Yee Yvonne Y. , Ogbonna Dora A. , Shah Nisarg J.
Published: May 2020

Rapamycin encapsulated in mono-(6-amino-6-deoxy)-beta cyclodextrin efficiently expands regulatory T cells for cell-based immunotherapy.
Rosetta custom score functions accurately predict ΔΔG of mutations at protein–protein interfaces using machine learning
Authors: Shringari Sumant R. , Giannakoulias Sam , Ferrie John J. , Petersson E. James
Published: May 2020

Reweighting Rosetta energy terms via machine learning improves prediction of ΔΔG values for mutations at protein interfaces, providing insight into biological processes and guiding development of therapeutic molecules targeted at these interfaces.
Regio- and diastereoselective Pd-catalyzed synthesis of C2-aryl glycosides
Authors: Ghouilem Juba , Franco Rémi , Retailleau Pascal , Alami Mouad , Gandon Vincent , Messaoudi Samir
Published: May 2020

A highly regio- and diastereoselective Pd-catalyzed direct arylation reaction of 2,3-glycals is reported.
Polyamide nanofilms synthesized via controlled interfacial polymerization on a “jelly” surface
Authors: Ma Zhao-Yu , Zhang Xi , Liu Chang , Dong Shun-Ni , Yang Jing , Wu Guang-Peng , Xu Zhi-Kang
Published: May 2020

A thermal-sensitive “jelly” was used to control the diffusion of a diamine monomer for synthesizing polyamide free-standing nanofilms with an adjustable thickness of 5–35 nm.
Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions
Authors: Dou Ming-Yu , Zhong Dan-Dan , Huang Xian-Qiang , Yang Guo-Yu
Published: May 2020

Three new polyoxovanadates have been made, one of them displays highly efficient heterogeneous solvent-free catalytic activity and excellent recyclability in the Knoevenagel condensation at room temperature.
Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework
Authors: Handke Marcel , Wu Yang , Li Yuantao , Hu Chunhua T. , Ward Michael D.
Published: May 2020

One-dimensional networks of the well-known photosensitizer [Ru(bpy)3]2+ are encapsulated in an unusual hydrogen-bonded crystalline host framework.
Ferroelectric resistance switching in Pt/Fe/BiFeO3/SrRuO3/SrTiO3 heterostructures
Authors: Zheng Wanchao , Wang Yuchen , Jin Chao , Yin Ruihua , Li Dong , Wang Ping , Liu Shasha , Wang Xinyue , Zheng Dongxing , Bai Haili
Published: May 2020

The resistive switching behavior in the Pt/Fe/BiFeO3/SrRuO3 heterostructures was observed. It results from the ferroelectric polarization modulated the depletion layer width around the BiFeO3/SrRuO3 interface.
A detailed look at the bonding interactions in the microsolvation of monoatomic cations
Authors: Rojas-Valencia Natalia , Gómez Sara , Guerra Doris , Restrepo Albeiro
Published: May 2020

Global and local descriptors of the properties of intermolecular bonding afford a highly complex picture of the bonding interactions responsible for microsolvation of monoatomic cations.
Membrane affinity of individual toxic protein oligomers determined at the single-molecule level
Authors: Dey Simli , Das Anirban , Dey Arpan , Maiti Sudipta
Published: May 2020

Single molecule imaging addresses the “which oligomer” question in membrane mediated toxicity of amyloid oligomers.
Two-dimensional tetragonal transition-metal carbide anodes for non-lithium-ion batteries
Authors: Ke Changcheng , Fan Dong , Chen Chengke , Li Xiao , Jiang Meiyan , Hu Xiaojun
Published: May 2020

Our results show that tetr-MCs are promising anode materials for non-lithium ion battery anode materials with excellent electrical conductivity, suitable open circuit voltage (0.05∼0.77 V), and high storage capacity (up to 1450 mA h g−1).
A theoretical study of the addition of CH2OO to hydroxymethyl hydroperoxide and its implications on SO3 formation in the atmosphere
Authors: Chow Ronald , Mok Daniel K. W.
Published: May 2020

The reaction of hydroxymethyl hydroperoxide with the simplest Criegee intermediate has been examined using quantum chemical methods with transition state theory. Results suggested that the reaction could be an indirect source of H2SO4 in atmosphere.
Strong dependence of the vertical charge carrier mobility on the π–π stacking distance in molecule/graphene heterojunctions
Authors: Hao Wei , Wang Yishan , Zhao Hu , Zhu Jia , Li Shuzhou
Published: May 2020

The electronic couplings between molecules in molecule/graphene heterojunctions is strongly dependent on the molecule–graphene distance at small values.
An experimental and computational study on the material dispersion of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids
Authors: Rodríguez Fernández Carlos Damián , Arosa Yago , Algnamat Bilal , López Lago Elena , de la Fuente Raúl
Published: May 2020

Analysis of the material dispersion of the 1-alkyl-3-methylimidazolium tetrafluoroborate family of ILs in terms of their molecular structure and resonances.
Elastic and electronic origins of strain stabilized photovoltaic γ-CsPbI3
Authors: Li Zhigang , Qin Yan , Dong Liyuan , Li Kai , Qiao Yang , Li Wei
Published: May 2020

Results of this work provide fundamental elastic and electronic insights which are instructive for strain engineering of photovoltaic γ-CsPbI3.
Pore selectivity and electron transfers in HZSM-5 single crystals: a Raman microspectroscopy mapping and confocal fluorescence imaging combined study
Authors: Moissette A. , Hureau M. , Moreau M. , Cornard J. P.
Published: May 2020

Electron transfers at the single particle level in HZSM-5 zeolite are followed by combining Raman microspectroscopy mapping and confocal fluorescence imaging. The effects of pore accessibility and guest diffusion on reactivity are investigated.
Chemoselective semihydrogenation of alkynes catalyzed by manganese(i)-PNP pincer complexes
Authors: Garbe Marcel , Budweg Svenja , Papa Veronica , Wei Zhihong , Hornke Helen , Bachmann Stephan , Scalone Michelangelo , Spannenberg Anke , Jiao Haijun , Junge Kathrin , Beller Matthias
Published: May 2020

A first homogeneous manganese catalyzed chemoselective semihydrogenation of alkynes to Z-olefins in the presence of molecular hydrogen is described.
Tuning the excited-state deactivation pathways of dinuclear ruthenium(ii) 2,2′-bipyridine complexes through bridging ligand design
Authors: Cerfontaine Simon , Troian-Gautier Ludovic , Wehlin Sara A. M. , Loiseau Frédérique , Cauët Emilie , Elias Benjamin
Published: May 2020

A detailed photophysical study of binuclear complexes was performed using steady-state and time-resolved photoluminescence measurements at variable temperature. The results were compared with the prototypical [Ru(bpy)3]2+.
Transmembrane Cu(i) P-type ATPase pumps are electrogenic uniporters
Authors: Abeyrathna Nisansala , Abeyrathna Sameera , Morgan M. Thomas , Fahrni Christoph J. , Meloni Gabriele
Published: May 2020

Real-timetransport analyses define transmembrane Cu(i)-pumps as electrogenic uniporters.
Photocatalytic, dye degradation, and bactericidal behavior of Cu-doped ZnO nanorods and their molecular docking analysis
Authors: Rashid Mehak , Ikram Muhammad , Haider Ali , Naz Sadia , Haider Junaid , Ul-Hamid Anwar , Shahzadi Anum , Aqeel Muhammad
Published: May 2020

Nanostructures of Cu-doped ZnO (Cu:ZnO) were prepared with the chemical precipitation technique with an aim to enhance the photocatalytic and antibacterial properties of ZnO.
Metal-free azo-bridged porphyrin porous organic polymers for visible-light-driven CO2 reduction to CO with high selectivity
Authors: Hou Yuxia , Zhang Enhui , Gao Jiayin , Zhang Shuaiqi , Liu Ping , Wang Ji-Chao , Zhang Yuping , Cui Cheng-Xing , Jiang Jianzhuang
Published: May 2020

Two nitrogen-rich azo-bridged POP displaying high photocatalytic reduction activity for CO2 to CO without a sacrificial reagent or metal co-catalyst were prepared.
Correction: Time-resolved infra-red spectroscopy reveals competitive water and dinitrogen coordination to a manganese(i) carbonyl complex
Authors: Eastwood Jonathan B. , Hammarback L. Anders , McRobie Matthew T. , Clark Ian P. , Towrie Michael , Fairlamb Ian J. S. , Lynam Jason M.
Published: May 2020

Correction for ‘Time-resolved infra-red spectroscopy reveals competitive water and dinitrogen coordination to a manganese(i) carbonyl complex’ by Jonathan B. Eastwood et al., Dalton Trans., 2020, DOI: 10.1039/c9dt04878b.
A scaling law to determine phase morphologies during ion intercalation
Authors: Fraggedakis Dimitrios , Nadkarni Neel , Gao Tao , Zhou Tingtao , Zhang Yirui , Han Yu , Stephens Ryan M. , Shao-Horn Yang , Bazant Martin Z.
Published: May 2020

A scaling law, based on the coarsening of the slowest phase, determines the morphologies of phase separating intercalation materials.
Catechinic acid, a natural polyphenol compound, extends the lifespan ofCaenorhabditis elegans viamitophagy pathways
Authors: Wu Xiaoqi , Al-Amin Mohammad , Zhao Chao , An Fengping , Wang Yiwei , Huang Qun , Teng Hui , Song Hongbo
Published: May 2020

Catechinic acid (CA), widely present in tea and fruits, has vital biological properties and health benefits.
Triphenylamine-imidazole-based luminophores for deep-blue organic light-emitting diodes: experimental and theoretical investigations
Authors: Tagare Jairam , Dubey Deepak Kumar , Yadav Rohit Ashok Kumar , Jou Jwo-Huei , Vaidyanathan Sivakumar
Published: May 2020

Solution-processable multilayer OLEDs were fabricated by employing the blue luminophores as dopants in the 4,4′-bis(9H-carbazol-9-yl)biphenyl (CBP) host and were found to exhibit bright deep blue electroluminescence with high efficiency.
Heterostructured CoS2/NiS2 nanoparticles encapsulated in bamboo-like carbon nanotubes as a high performance anode for sodium ion batteries
Authors: Yao Xiang , Cheng Hui , Jiang Zhouyang , Han Qingyue , Wang Yanjie , Wang Suqing
Published: May 2020

Heterostructured binary metal-sulfide CoS2/NiS2 compounds encapsulated in bamboo-like carbon nanotubes (CoS2/NiS2@B-CNT), were prepared and applied as an anode for sodium ion batteries.
A zinc2+-dpbt framework: luminescence sensing of Cu2+, Ag+, MnO4− and Cr(vi) (Cr2O72− and CrO42−) ions
Authors: Cao Yan , Zhang Yan , Gu Liang-wei , Qin Xing-mei , Li Hai-Ye , Bian He-Dong , Huang Fu-Ping
Published: May 2020

We report here a zinc2+-dpbt MOF with luminescence sensing properties for the detection of Cu2+, Ag+, MnO4− and Cr(vi) (Cr2O72−, CrO42−) ions.
Alkaloids and lignans with acetylcholinesterase inhibitory activity from the flower buds of Magnolia biondii Pamp
Authors: Cao Yangang , Li Hongwei , Zhang Yanli , Wang Jianchao , Ren Yingjie , Liu Yanling , Wang Mengna , He Chen , Chen Xu , Zheng Xiaoke , Feng Weisheng
Published: May 2020

Sixteen compounds, including two new alkaloids and three new lignans, were isolated and their AChE inhibitory activities were evaluated.
Mono-substituted amine-oligosilsesquioxanes as functional tools in Pd(ii) coordination chemistry: synthesis and properties
Authors: Piec Kamila , Kostera Sylwia , Jędrzkiewicz Dawid , Ejfler Jolanta , John Łukasz
Published: May 2020

The unexpected reaction between mono-functionalized amino-POSS and palladium acetate (different from the well-known pathway between a classical amine and a palladium salt) leads to novel coordination entities.
A copper(i) bromide organic–inorganic zwitterionic coordination compound with a new type of core: structure, luminescence properties, and DFT calculations
Authors: Berezin Alexey S. , Artem'ev Alexander V. , Komarov Vladislav Y. , Baranov Andrey Y.
Published: May 2020

A new organic–inorganic Cu(i) bromide complex based on protonated tris(2-pyridyl)phosphine, [(HPy)3PCu2Br5], has been synthesized by a straightforward reaction in solution or by modification of the [Cu2Br2(Py3P)2] complex using hydrobromic acid.
Three-dimensional chitosan/graphene oxide aerogel for high-efficiency solid-phase extraction of acidic herbicides in vegetables
Authors: Wu Qi , Wu Wei , Zhan Xue , Hou Xiudan
Published: May 2020

A simple, facile method was adopted to synthesize three-dimensional chitosan grafted graphene oxide aerogel modified silica (3D CS/GOA@Sil) as an eco-friendly, sustainable extraction material for the preconcentration of phenoxy acid herbicides.
Fine regulation of crystallisation tendency to optimize the BHJ nanostructure and performance of polymer solar cells
Authors: Deng Min , Xu Xiaopeng , Lee Young Woong , Ericsson Leif K. E. , Moons Ellen , Woo Han Young , Li Ying , Yu Liyang , Peng Qiang
Published: May 2020

The crystallisation tendency of nonfullerene acceptors was finely controlled by extending the fused end groups and the nanostructure and device performances of polymer solar cells were optimized by such molecular engineering.
Intercalation of laminar Cu–Al LDHs with molecular TCPP(M) (M = Zn, Co, Ni, and Fe) towards high-performance CO2 hydrogenation catalysts
Authors: Zhao Feigang , Zhan Guowu , Zhou Shu-Feng
Published: May 2020

We immobilized transition metal ions into the confined space of Cu–Al LDHs using a range of metalloporphyrins as shuttles.
Voltage control of magnetic domain wall injection into strain-mediated multiferroic heterostructures
Authors: Zhou Haomiao , Shi Shengbin , Nian Diqing , Cui Shuting , Luo Jing , Qiu Yang , Yang Han , Zhu Mingmin , Yu Guoliang
Published: May 2020

Schematic illustration of strain-mediated magnetization precessional switching and a domain wall injection mechanism in a nano-magnet with in-plane shape anisotropy.
Synthetic factors affecting the stability of methylammonium lead halide perovskite nanocrystals
Authors: McKenna Barry , Shivkumar Abhinav , Charles Bethan , Evans Rachel C.
Published: May 2020

The stability and reproducibility of perovskite nanocrystals produced by ligand-assisted reprecipitation (LARP) is investigated. Significant differences in optical properties and morphology are seen depending on specific synthetic factors.
Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response
Authors: Hu Ting , Hu Chunli , Li Yuhang , Meng Lingyi , Xie Yiming , Liao Mingyue , Zhong Guiming , Lu Can-Zhong
Published: May 2020

A new nanocluster-based silver(i) tert-butylethynide compound, namely, (tBuCCAg)2(Ag4SiW12O40)(DMSO)6, was obtained and found to exhibit a large second-harmonic generation response.
Understanding the structures and aromaticity of heteroporphyrins with computations
Authors: Fang Xiaoli , Chen Xiahe , Wang Qunmin , Yang Yun-Fang , She Yuan-Bin
Published: May 2020

Different heteroporphyrins go through two different aromatic pathways, either 18π-[18]annulene or 22π-electron model.
Novel usage of 2-BTSO2CF2H for metal-free electrophilic difluoroalkanethiolation of indoles
Authors: Wei Jun , Bao Kun , Wang Yuan , Sheng Rong , Hu Jinbo
Published: May 2020

2-BTSO2CF2H was used as an efficient electrophilic –SCF2H synthon for the first time for the metal-free electrophilic difluoromethylthiolation of indoles.
Keggin-type polyoxometalate/thiospinel octahedron heterostructures for photoelectronic devices
Authors: He Peng , Li Xiaohong , Wang Ting , Chen Weichao , Zhang Hong , Chen Weilin
Published: May 2020

Keggin-type polyoxometalate CoW12/CoIn2S4 thiospinel heterostructures promote the further development in photoelectronic devices due to highly efficient electrocatalytic triiodide reduction, low charge-transfer resistance, and the high amount of exposed active site.
Reduction of 4-nitrophenol and 2-nitroaniline using immobilized CoMn2O4 NPs on lignin supported on FPS
Authors: Chen Yuning , Feng Li , Sadeghzadeh Seyed Mohsen
Published: May 2020

In the present work, fibrous phosphosilicate (FPS) is functionalized by using octakis[3(3-aminopropyltriethoxysilane)propyl]octasilsesquioxane (APTPOSS) groups.
Pseudo-atomic-scale metals well-dispersed on nano-carbons as ultra-low metal loading oxygen-evolving electrocatalysts
Authors: Huang Jing-Fang , Xie Wei-Zhe
Published: May 2020

Sub-nanosized FeNi oxyhydroxide nanoclusters on nano-carbons overcome challenges, high metal loading and low TOF, in water splitting.
Interplay between structural parameters and reactivity of Zr6-based MOFs as artificial proteases
Authors: Loosen Alexandra , de Azambuja Francisco , Smolders Simon , Moons Jens , Simms Charlotte , De Vos Dirk , Parac-Vogt Tatjana N.
Published: May 2020

Peptide bond hydrolysis catalyzed by NU-1000 MOF revealed key structural features that influence the catalytic performance of Zr6based MOFs.
Probing electrochemical reactivity in an Sb2S3-containing potassium-ion battery anode: observation of an increased capacity
Authors: Lakshmi V. , Mikhaylov Alexey A. , Medvedev Alexander G. , Zhang Chao , Ramireddy Thrinathreddy , Rahman Md Mokhlesur , Cizek Pavel , Golberg Dmitri , Chen Ying , Lev Ovadia , Prikhodchenko Petr V. , Glushenkov Alexey M.
Published: May 2020

Sb2S3–rGO potassium-ion battery anode material is synthesised by the peroxide route and is evaluated in two non-aqueous electrolytes.
Progress in arginine-based gene delivery systems
Authors: Zhou Yang , Han Shuyan , Liang Zhiqing , Zhao Meng , Liu Guiting , Wu Jun
Published: May 2020

Arginine based gene delivery systems with enhanced membrane penetration and lower cytotoxicity greatly enrich the gene vectors library and outline a new development direction of gene delivery.
Comment on “Low lattice thermal conductivity and promising thermoelectric figure of merit of Zintl type TlInTe2” by G. Ding et al., J. Mater. Chem. C, 2018, 6, 13269.
Authors: Panich A. M.
Published: May 2020

We add several details concerning the electronic structure and mechanisms of low thermal conductivity of TlInTe2 calculated by Ding et al.
The long non-coding RNA LINC00473 contributes to cell proliferation via JAK-STAT3 signaling pathway by regulating miR-195-5p/SEPT2 axis in prostate cancer
Authors: Xing Zengshu , Li Sailian , Liu Zhenxiang , Zhang Chong , Meng Meijiang , Bai Zhiming
Published: May 2020

Prostate cancer is a kind of male malignant tumor, which has brought tremendous health threat to men. Prostate cancer is difficult to be cured because of high incidence and metastasis rate. Thereby, it is of great urgency to elucidate the underlying molecular mechanism of prostate cancer for the treatment of this cancer. LINC00473 dysregulation has been observed in many cancers. However, the role of LINC00473 was unknown in prostate cancer. In the present study, we discovered that prostate cancer cells presented high expression of LINC00473, and LINC00473 inhibition limited cell proliferation and the expression of proteins in JAK-STAT3 signaling pathway. Additionally, LINC00473 acted as an up-stream factor for miR-195-5p to negatively modulate miR-195-5p expression. Moreover, SEPT2 interacted with miR-195-5p in prostate cancer and SEPT2 expression was positively modulated by LINC00473 and negatively regulated by miR-195-5p. Last, the inhibitory effect of LINC00473 knockdown on cell proliferation and expression of proteins of JAK-STAT3 signaling pathway was restored by SEPT2 overexpression. All in all, LINC00473 contributed to cell proliferation via JAK-STAT3 signaling pathway by regulating miR-195-5p/SEPT2 axis in prostate cancer, which provided a novel therapeutic tactic for prostate cancer patients.
Development of a novel prognostic signature for predicting the overall survival of bladder cancer patients
Authors: Tang Huamei , Kan Lijuan , Ou Tong , Chen Dayang , Dou Xiaowen , Wu Wei , Ji Xiang , Wang Mengmeng , Zong Zengyan , Mo Hongmei , Zhang Xiuming , Xiong Dan
Published: May 2020

Background: Bladder cancer is one of the most common malignancies. So far, no effective biomarker for bladder cancer prognosis has been identified. Aberrant DNA methylation is frequently observed in the bladder cancer and holds considerable promise as a biomarker for predicting the overall survival (OS) of patients. Materials and methods: We downloaded the DNA methylation and transcriptome data for bladder cancer from The Cancer Genome Atlas (TCGA), a public database, screened hypo-methylated and up-regulated genes, similarly, hyper-methylation with low expression genes, then retrieved the relevant methylation sites. Cox regression analysis was used to identify a nine-methylation site signature of a training group. Predictive ability was validated in a test group by receiver operating characteristic (ROC) analysis. Results: We identified nine bladder cancer-specific methylation sites as potential prognostic biomarkers and established a risk score system based on the methylation site signature to evaluate the OS. The performance of the signature was accurate, with area under curve was 0.73 in the training group and 0.71 in the test group. Taking clinical features into consideration, we constructed a nomogram consisting of the nine-methylation site signature and patients’ clinical variables, and found that the signature was an independent risk factor. Conclusions: Overall, the significant nine methylation sites could be novel prediction biomarkers, which could aid in treatment and also predict the overall survival likelihoods of bladder cancer patients.
Comparison of ultrasound-guided supraclavicular and costoclavicular brachial plexus block using a modified double-injection technique: a randomized non-inferiority trial
Authors: Luo Quehua , Yao Weifeng , Chai Yunfei , Chang Lu , Yao Hui , Liang Jiani , Hao Ning , Guo Song , Shu HaiHua
Published: May 2020

Ultrasound-guided costoclavicular block (CC-approach) is a recently described brachial plexus block (BPB) and an alternative approach to the supraclavicular approach (SC-approach). The relevant sonoanatomy is analogous in terms of the brachial plexus and its adjacent artery for both approaches. In the present study, we hypothesized that the two approaches will result in similar block dynamics when used the modified double-injection (MDI) technique. One hundred and twelve patients were randomly allocated to receive either a SC- or CC-approach with MDI technique. In the CC group, half the volume was injected adjacent to the medial cord of the brachial plexus, the procedure was guided by ultrasound and verified by nerve stimulator, subsequently the second half was injected close to the lateral cord. In the SC group, the MDI technique was carried out as described in our previous study. Sensory and motor blockade of all four terminal nerves were assessed with a 3-point scale. The primary outcome was the proportion of complete sensory blockade at 15 min with a predefined non-inferiority margin of −13%. The proportion of subjects at 15 min was comparable between the SC group and the CC group (91 vs 87%, absolute difference: −3%). No significant differences were found for complete motor blockade and onset times of the individual nerves within 30 min, and block-related serious adverse events (all P>0.05). We conclude that the MDI technique applied to a costoclavicular and supraclavicular block resulted in similar block dynamics. In addition, it may provide a promising alternative technique when considering the use of multipoint injection.
ATP reduces mitochondrial MECR protein in liver of diet-induced obese mice in mechanism of insulin resistance
Authors: Qian Shengnan , Ma Li , Peng Shiqiao , Xu Yanhong , Wu Kaiyue , Shen Shuang , Zhang Xiaoying , Sun Yongning , Ye Jianping
Published: May 2020

Mitochondrial 2-enoyl-acyl-carrier protein reductase (MECR) is an enzyme in the mitochondrial fatty acid synthase (mtFAS) pathway. MECR activity remains unknown in the mechanism of insulin resistance in the pathogenesis of type 2 diabetes. In the present study, MECR activity was investigated in diet-induced obese (DIO) mice. Mecr mRNA was induced by insulin in cell culture, and was elevated in the liver of DIO mice in the presence hyperinsulinemia. However, MECR protein was decreased in the liver of DIO mice, and the reduction was blocked by treatment of the DIO mice with berberine (BBR). The mechanism of MECR protein regulation was investigated with a focus on ATP. The protein was decreased in the cell lysate and DIO liver by an increase in ATP levels. The ATP protein reduction was blocked in the liver of BBR-treated mice by suppression of ATP elevation. The MECR protein reduction was associated with insulin resistance and the protein restoration was associated with improvement of insulin sensitivity by BBR in the DIO mice. The data suggest that MECR protein is regulated in hepatocytes by ATP in association with insulin resistance. The study provides evidence for a relationship between MECR protein and insulin resistance.
Alternative splicing of ACE2 possibly generates variants that may limit the entry of SARS-CoV-2: a potential therapeutic approach using SSOs
Authors: Rehman Sayeed ur , Tabish Mohammad
Published: May 2020

Angiotensin-converting enzyme 2 (ACE2) plays an essential role in maintaining the balance of the renin–angiotensin system and also serves as a receptor for the SARS-CoV-2, SARS-CoV, and HCoV-NL63. Following the recent outbreak of SARS-CoV-2 infection, there has been an urgent need to develop therapeutic interventions. ACE2 is a potential target for many treatment approaches for the SARS-CoV-2. With the help of bioinformatics, we have predicted several novel exons of the human ACE2 gene. The inclusion of novel exons located in the 5′UTR/intronic region in the mature transcript may remove the critical ACE2 residues responsible for the interaction with the receptor-binding domain (RBD) of SARS-CoV-2, thus preventing their binding and entry into the cell. Additionally, inclusion of a novel predicted exons located in the 3′UTR by alternative splicing may remove the C-terminal transmembrane domain of ACE2 and generate soluble ACE2 isoforms. Splice-switching antisense oligonucleotides (SSOs) have been employed effectively as a therapeutic strategy in several disease conditions. Alternative splicing of the ACE2 gene could similarly be modulated using SSOs to exclude critical domains required for the entry of SARS-CoV-2. Strategies can also be designed to deliver these SSOs directly to the lungs in order to minimize the damage caused by SARS-CoV-2 pathogenesis.
Diet reduces the effect of exogenous grit on tooth microwear
Authors: Hua Licheng , Chen Jianbin , Ungar Peter S.
Published: May 2020

Exogenous grit adherent to the surface of food items and food fracture properties have each been considered important factors contributing to pattern and degree of tooth wear in mammals. However, the interactions between these two factors in generating distinctive microwear textures have remained understudied. Here the authors revisit in‐vitro results from simulated chewing to explore how adherent grit and physical properties of foods act together to create dental microwear textures on occlusal enamel surfaces. Results suggest that the effect of exogenous grit on microwear texture is dependent on the material properties foods to which they adhere. Grit in the absence of food causes more complex microwear surface textures than foods covered with similar levels and types of grit (for a given number of chews and angle of approach between opposing teeth). Different foods covered in grit also yield different complexity values. Grit‐laden, pliant meat, for example, results in a less complex texture than does resistant, grit‐laden raw carrot. This work implied that tooth wear assessment can benefit from considering grit load and food material properties together.
Raman distributed temperature sensing for end winding of high‐power generator
Authors: Pelegrin Jessé de , Bazzo João Paulo , Dreyer Uilian José , Martelli Cicero , Pipa Daniel Rodrigues , Silva Erlon Vagner da , Cardozo da Silva Jean Carlos
Published: May 2020

The temperature on the busbars of electric generators in the end‐winding region needs to be monitored continuously. High temperature is associated with curvatures, seams, and poor ventilation. However, this solution has limitations, such as the number of measurement points. This article presents a reconstruction algorithm to estimate high‐resolution signals, from readings of a distributed temperature system for monitoring high‐power generator bars. The purpose of this work is to measure the temperature in the end‐winding region with optical sensors based on Raman distributed temperature sensing (RDTS). The ability of RDTS equipment to perform a measurement is limited by its spatial resolution of 1 m. The proposed algorithm reduces spatial resolution through signal processing without changing the equipment hardware. Through the experimental results, it was possible to perform accurate temperature measurements for lengths up to 15 cm using the sensor element. With this method, the final winding of a generator bar of a 355 MW hydroelectric plant was instrumented in the laboratory. The results show that it is possible to monitor the temperature over this region, which has a length of 45 cm. Therefore, the proposed method has the potential for the use of RDTS systems for temperature acquisition of small, medium, and large electrical machines.
Effects of process parameters on Cu‐nanoparticle synthesis in tetraethylene glycol through microwave irradiation
Authors: Lim Choi Woo , Lee Jong‐Hyun
Published: May 2020

Copper nanoparticles were successfully synthesised through microwave irradiation of a copper‐oxide particle precursor dispersed in tetraethylene glycol. Initial results obtained after 4–6 min of irradiation, without the use of a surfactant, indicated nanoparticle aggregation and particle‐size bimodality by incomplete reduction. However, the said aggregation and bimodality were observed to be significantly suppressed with accelerated reduction upon addition of an alcohol‐type surfactant. Consequently, Cu nanoparticles measuring 74 and 79 nm in size were successfully synthesised by performing short irradiations lasting 3 and 4 min, respectively.