bluuebunny/crossref_metadata_2025 huggingface dataset:
A QSP model of prostate cancer immunotherapy to identify effective combination therapies
Authors: Coletti Roberta , Leonardelli Lorena , Parolo Silvia , Marchetti Luca
Published: June 2020

Immunotherapy, by enhancing the endogenous anti-tumor immune responses, is showing promising results for the treatment of numerous cancers refractory to conventional therapies. However, its effectiveness for advanced castration-resistant prostate cancer remains unsatisfactory and new therapeutic strategies need to be developed. To this end, systems pharmacology modeling provides a quantitative framework to testin silicothe efficacy of new treatments and combination therapies. In this paper we present a new Quantitative Systems Pharmacology (QSP) model of prostate cancer immunotherapy, calibrated using data from pre-clinical experiments in prostate cancer mouse models. We developed the model by using Ordinary Differential Equations (ODEs) describing the tumor, key components of the immune system, and seven treatments. Numerous combination therapies were evaluated considering both the degree of tumor inhibition and the predicted synergistic effects, integrated into a decision tree. Our simulations predicted cancer vaccine combined with immune checkpoint blockade as the most effective dual-drug combination immunotherapy for subjects treated with androgen-deprivation therapy that developed resistance. Overall, the model presented here serves as a computational framework to support drug development, by generating hypotheses that can be tested experimentally in pre-clinical models.
Excessive Homeostatic Gain in Spinal Motoneurons in a Mouse Model of Amyotrophic Lateral Sclerosis
Authors: Kuo Su-Wei , Binder Marc D. , Heckman C. J.
Published: June 2020

In the mSOD1 model of ALS, the excitability of motoneurons is poorly controlled, oscillating between hyperexcitable and hypoexcitable states during disease progression. The hyperexcitability is mediated by excessive activity of voltage-gated Na+ and Ca2+ channels that is initially counteracted by aberrant increases in cell size and conductance. The balance between these opposing actions collapses, however, at the time that the denervation of muscle fibers begins at about P50, resulting in a state of hypo-excitability and cell death. We propose that this process of neurodegeneration ensues from homeostatic dysregulation of excitability and have tested this hypothesis by perturbing a signal transduction pathway that plays a major role in controlling biogenesis and cell size. Our 『homeostatic dysregulation hypothesis' predicted that neonatal mSOD1 motoneurons would be much more sensitive to such perturbations than wild type controls and our results strongly support this hypothesis. Our results have important implications for therapeutic approaches to ALS.
Responses of Autumn Phenology to Climate Change and the Correlations of Plant Hormone Regulation
Authors: Zhang Shixi , Dai Junhu , Ge Quansheng
Published: June 2020

Current understanding of autumn phenological responses to climate change in deciduous tree species remains limited, mainly due to the difficulties in defining autumn events and the lack of knowledge about its mechanism. Here we applied a method based on measuring chlorophyll A (Chla) content in leaf tissue during the entire autumn senescence processes to appropriately quantify autumn phenological processes. Beginning of leaf coloring could be defined as when about 50% of the Chl was lost. End of leaf coloring could be defined as when about 95% of the Chl was lost. Then the mechanism behind the timing of autumn senescence responses to climate change through hormone regulation was studied for the first time. Four dominate deciduous tree species with representative senescence type (Salix babylonica, Ginkgo biloba, Acer mono, Cotinus coggygria) were chosen as the subject of study. Variations in climate factors (temperature, day length, precipitation, humidity) were recorded and nine major endogenous hormones (IAA, IPA, ZR, DHZR, GA3, GA4, ABA, MeJA, BR) in leaf tissues were monitored during the entire autumn senescence processes. The experimental results verified temperature and day length are the major climate factors affecting autumn phenology. Low temperature and short day length could result in the decrease of ZR level and the increase of ABA level in leaf tissue, which directly trigger/promote senescence. Meanwhile, low temperature and short day length could cause the decrease of MeJA level and the increase of GA3 and GA4 level, which regulate the timing of autumn senescence indirectly through ZR, ABA, and IAA. Our study improves the understanding of autumn phenological response to climate change in deciduous trees.
Methylation of the Phospholipase A2 Receptor 1 Promoter Region in Childhood B Cell Acute Lymphoblastic Leukaemia
Authors: Friedemann Markus , Gutewort Katharina , Thiem Dana , Nacke Brit , Jandeck Carsten , Lange Björn Sönke , Sukocheva Olga , Suttorp Meinolf , Menschikowski Mario
Published: June 2020

Acute lymphoblastic leukaemia (ALL) is the most common form of paediatric cancer and epigenetic aberrations are determinants of leukaemogenesis. The aim of this study was to investigate the methylation degree of a distinct phospholipase A2 receptor 1 (PLA2R1) promoter region in paediatric ALL patients and to evaluate its relevance as new biomarker for monitoring treatment response and burden of residual disease. The impact of PLA2R1 re-expression on proliferative parameters was assessed in vitro in Jurkat cells with PLA2R1 naturally silenced by DNA methylation. Genomic DNA was isolated from bone marrow (BM) and peripheral blood (PB) of 44 paediatric ALL patients. PLA2R1 methylation was analysed using digital PCR and compared to 20 healthy controls. Transfected Jurkat cells were investigated using cell growth curve analysis and flow cytometry. PLA2R1 was found hypermethylated in BM and PB from pre-B and common ALL patients, and in patients with the disease relapse. PLA2R1 methylation decreased along with leukaemic blast cell reduction during ALL induction treatment. In vitro analysis revealed an anti-proliferative phenotype associated with PLA2R1 re-expression, suggesting a tumour-suppressive function of PLA2R1. Collected data indicates that PLA2R1 promoter methylation quantitation can be used as biomarker for ALL induction treatment control, risk stratification, and early detection of ALL relapse.
Histomorphometrical Assessment of Sinus Augmentation Using Allograft (Particles or Block) and Simultaneous Implant Placement
Authors: Chaushu Liat , Chaushu Gavriel , Kolerman Roni , Vered Marilena , Naishlos Sarit , Nissan Joseph
Published: June 2020

The aim of the present study was to compare the clinical, radiological and histomorphometrical outcome of simultaneous implant placement following augmentation of atrophic maxillary sinuses using allograft (block or particles). Consecutive patients with maxillary residual alveolar ridge height ≤3 mm, scheduled for sinus floor augmentation with simultaneous implant placement, were randomly included. Allograft bone-block or bone-particles served as grafting material. Simultaneously, dental implants were inserted. Biopsies were taken at second stage surgery (after 9 months) for histomorphometric evaluation. Initially 38 sinus augmentations (29 individuals) were allocated for the study. In 4 out of 21(19%) sinuses using particles it was impossible to stabilize the implants and a second stage insertion was preferred, leaving 34 sinuses for histomorphometric evaluation. The difference in the ability to perform simultaneous implant placement was statistically significant (p < 0.05). Ninety implants were inserted simultaneously. All implants osseointegrated. None of the implants was lost up to the end of follow-up time (Range 50–120 months, Mean 74.5 ± 13.5 months). Bone gain radiographically 12.3 ± 1 mm vs. 11.2 ± 1 mm (block vs. particles respectively) and new bone formation histomorphometrically 27.7 ± 15% vs. 32.1 ± 19% (block vs. particles respectively) showed no statistically significant differences between the two groups. Sinus augmentation using allograft (particles or block) and simultaneous implant placement is predictable. All outcome parameters are similar when sinus bone-blocks augmentation is compared to bone-particles augmentation (radiological new bone gain, implant survival, hisomorphometricly new bone formation) despite the ability to stabilize implants, when placed simultaneously with sinus augmentation. Blocks may be advisable when simultaneous implant placement is imperative in cases with residual alveolar bone height ≤3 mm.
Generation and characterization of Aldh3-Cre transgenic mice as a tool for conditional gene deletion in postnatal cornea
Authors: Sunny Sweetu Susan , Lachova Jitka , Dupacova Naoko , Zitova Anna , Kozmik Zbynek
Published: June 2020

Conditional gene targeting in mice by means of Cre-loxP strategy represents a powerful approach to study mammalian gene function. This approach is however dependent on the availability of suitable strains of mice with a tissue or time restricted activity of the Cre recombinase. Here we describe Aldh3-Cre transgenic mice as a useful tool to conditionally delete genes in cornea, a specialized transparent tissue found on the anterior-most part of the eye, which acts as a protective barrier and contributes to the refractive power. Using a set of floxed alleles we demonstrate high Aldh3-Cre activity in corneal epithelial cells, corneal stroma and conjunctival epithelial cells at postnatal stages. Aldh3-Cre will thus be particularly beneficial for functional analysis of genes which are vital for postnatal development of cornea and conjunctiva.
Genome-wide transcriptome profiling of ex-vivo precision-cut slices from human pancreatic ductal adenocarcinoma
Authors: Ghaderi Mehran , Fernández Moro Carlos , Pouso Elduayen Soledad , Hultin Emilie , Verbeke Caroline Sophie , Björnstedt Mikael , Dillner Joakim
Published: June 2020

Ex-vivo tumor tissue culture systems are used as models to test specific anti-cancer drugs. Their main advantage is that they are closely comparable with the in vivo tumor in their host organism. We previously reported that precision-cut organotypic tissue slices of pancreatic ductal adenocarcinoma (PDAC) can be successfully cultured ex-vivo for at least 4 days. In order to study how culturing might affect transcription patterns, we now performed genome-wide transcriptome profiling of both baseline (0 h) and explanted tumors at daily intervals (24, 48 and 72 h) after start of culturing. The total-RNA from five samples of surgically resected human PDAC tumors at baseline and at different time points in culture was sequenced. Differential gene expression analysis of the whole transcriptome, testing 58,713 genes and over 206,000 transcripts, found that only a small number of genes showed significant changes in expression between baseline and cultured samples. The cultured tumor slices showed upregulation of a median of 12, 10 and 15 genes and downregulation of a median of 15, 12 and 25 genes at 24, 48 and 72 h in culture, respectively. One sample had morphologically increasing loss of tissue viability (range 0–18%). The vascular endothelial growth factor A (VEGFA) was significantly upregulated during the entire culture period in this case. Pathway over-representation analysis suggested that VEGFA together with the PTGS2 gene were upregulated at the same time as HIF-1-triggered cell apoptosis via NF-ĸB and the AP-1 activating factor was induced. Indeed, increased areas of apoptotic lesions were visible in this sample after 24 hours of culture. In conclusion, genome-wide transcriptome analysis supports that ex-vivo cultured tissue slices of PDAC may be a representative model of the original tumor. Transcriptome analysis was found to be a valuable complement to morphology for evaluation of ex-vivo cultures of PDAC.
Effect of Cold Acclimation on Selected Metabolic Enzymes During Diapause in The European Corn Borer Ostrinia nubilalis (Hbn.)
Authors: Uzelac Iva , Avramov Miloš , Čelić Tatjana , Vukašinović Elvira , Gošić-Dondo Snežana , Purać Jelena , Kojić Danijela , Blagojević Duško , Popović Željko D.
Published: June 2020

The European corn borer, Ostrinia nubilalis Hbn., is a pest Lepidopteran species whose larvae overwinter by entering diapause, gradually becoming cold-hardy. To investigate metabolic changes during cold hardening, activities of four metabolic enzymes – citrate synthase (CS), lactate dehydrogenase (LDH), alanine aminotransferase (ALT) and aspartate aminotransferase (AST) were measured in whole-body homogenates of pupae, non-diapausing and diapausing larvae acclimated to 5 °C, −3 °C and −16 °C. The highest CS activity was detected in non-diapausing larvae, reflecting active development, while the highest in vitro LDH activity was recorded in diapausing larvae at temperatures close to 0 °C, evidencing a metabolic switch towards anaerobic metabolism. However, in-gel LDH activity showed that production of pyruvate from lactate is triggered by sub-zero temperatures. The activities of both aminotransferases were highest in non-diapausing larvae. Our findings suggest that during diapause and cold hardening the aminotransferases catalyse production of L-alanine, an important cryoprotectant, and L-aspartate, which is closely tied to both transamination reactions and Krebs cycle. The results of this study indicate that, during diapause, the activity of metabolic enzymes is synchronized with exogenous factors, such as temperatures close to 0 °C. These findings support the notion that diapause is metabolically plastic and vibrant, rather than simply a passive, resting state.
Structural and catalytic analysis of two diverse uridine phosphorylases in Phytophthora capsici
Authors: Yang Cancan , Li Jing , Huang Zhenling , Zhang Xuefa , Gao Xiaolei , Zhu Chunyuang , Morris Paul F. , Zhang XiuGuo
Published: June 2020

Uridine phosphorylase (UP) is a key enzyme of pyrimidine salvage pathways that enables the recycling of endogenous or exogenous-supplied pyrimidines and plays an important intracellular metabolic role. Here, we biochemically and structurally characterized two evolutionarily divergent uridine phosphorylases, PcUP1 and PcUP2 from the oomycete pathogen Phytophthora capsici. Our analysis of other oomycete genomes revealed that both uridine phosphorylases are present in Phytophthora and Pythium genomes, but only UP2 is seen in Saprolegnia spp. which are basal members of the oomycetes. Moreover, uridine phosphorylases are not found in obligate oomycete pathogens such as Hyaloperonospora arabidopsidis and Albugo spp. PcUP1 and PcUP2 are upregulated 300 and 500 fold respectively, within 90 min after infection of pepper leaves. The crystal structures of PcUP1 in ligand-free and in complex with uracil/ribose-1-phosphate, 2′-deoxyuridine/phosphate and thymidine/phosphate were analyzed. Crystal structure of this uridine phosphorylase showed strict conservation of key residues in the binding pocket. Structure analysis of PcUP1 with bound ligands, and site-directed mutagenesis of key residues provide additional support for the “push-pull” model of catalysis. Our study highlights the importance of pyrimidine salvage during the earliest stages of infection.
Green route to synthesize Zinc Oxide Nanoparticles using leaf extracts of Cassia fistula and Melia azadarach and their antibacterial potential
Authors: Naseer Minha , Aslam Usman , Khalid Bushra , Chen Bin
Published: June 2020

Development of plant based nanoparticles has many advantages over conventional physico-chemical methods and has various applications in medicine and biology. In present study, zinc oxide (ZnO) nanoparticles (NPs) were synthesized using leaf extracts of two medicinal plants Cassia fistula and Melia azadarach. 0.01 M zinc acetate dihydrate was used as a precursor in leaf extracts of respective plants for NPs synthesis. The structural and optical properties of NPs were investigated by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscope (SEM), ultraviolet-visible spectrophotometer (UV-Vis) and dynamic light scattering (DLS). The antibacterial potential of ZnO NPs was examined by paper disc diffusion method against two clinical strains of Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) based on the zone of inhibition and minimal inhibitory indices (MIC). Change in color of the reaction mixture from brown to white indicated the formation of ZnO NPs. UV peaks at 320 nm and 324 nm, and XRD pattern matching that of JCPDS card for ZnO confirmed the presence of pure ZnO NPs. FTIR further confirmed the presence of bioactive functional groups involved in the reduction of bulk zinc acetate to ZnO NPs. SEM analysis displayed the shape of NPs to be spherical whereas DLS showed their size range from 3 to 68 nm. The C. fistula and M. azadarach mediated ZnO NPs showed strong antimicrobial activity against clinical pathogens compared to standard drugs, suggesting that plant based synthesis of NPs can be an excellent strategy to develop versatile and eco-friendly biomedical products.
Author Correction: Targeted mutagenesis of the ryanodine receptor by Platinum TALENs causes slow swimming behaviour in Pacific bluefin tuna (Thunnus orientalis)
Authors: Higuchi Kentaro , Kazeto Yukinori , Ozaki Yuichi , Yamaguchi Toshiya , Shimada Yukinori , Ina Yoshiaki , Soma Satoshi , Sakakura Yoshitaka , Goto Rie , Matsubara Takahiro , Nishiki Issei , Iwasaki Yuki , Yasuike Motoshige , Nakamura Yoji , Matsuura Aiko , Masuma Shukei , Sakuma Tetsushi , Yamamoto Takashi , Masaoka Tetsuji , Kobayashi Takanori , Fujiwara Atushi , Gen Koichiro
Published: June 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: The Use of Motion Analysis as Particle Biomarkers in Lensless Optofluidic Projection Imaging for Point of Care Urine Analysis
Authors: Kun Jessica , Smieja Marek , Xiong Bo , Soleymani Leyla , Fang Qiyin
Published: June 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Relative posture between head and finger determines perceived tactile direction of motion
Authors: Chen Yueh-Peng , Yeh Chun-I. , Lee Tsung-Chi , Huang Jian-Jia , Pei Yu-Cheng
Published: June 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Electric discharge evidence found in a new class of material in the Chicxulub ejecta
Authors: Kletetschka Gunther , Ocampo Uria Adriana , Zila Vojtech , Elbra Tiiu
Published: June 2020

Chicxulub impact (66 Ma) event resulted in deposition of spheroids and melt glass, followed by deposition of diamectite and carbonate ejecta represented by large polished striated rounded pebbles and cobbles, henceforth, called Albion Formation1 Pook’s Pebbles, name given from the first site identified in central Belize, Cayo District. Here we report that magnetic analysis of the Pook’s Pebbles samples revealed unique electric discharge signatures. Sectioning of Pook’s Pebbles from the Chicxulub ejecta from the Albion Formation at Belize showed that different parts of Pook’s Pebbles had not only contrasting magnetization directions, but also sharply different level of magnetizations. Such behavior is indicative of electric discharge taking place sometimes during the formation of the Chicxulub ejecta blanket. In addition, some of the Pook’s Pebbles’ surface had recrystallized down to 0.2 mm depth. This is evidence of localized extreme pressures and temperatures during the fluidized ejecta formation which was imprinted in the outer layer of Pook’s Pebbles. Recrystallization caused formation of nanophase iron along the surface, which was revealed by mapping of both natural remanent magnetization and of saturation remanence magnetization signatures. While the spheroids’ magnetization orientation is consistent with reversed magnetic field at the time of impact, the study of the Pook’s Pebbles provided, in addition, new evidence of electric charging during the vapor plume cloud processes.
Structural and functional shifts of soil prokaryotic community due to Eucalyptus plantation and rotation phase
Authors: Monteiro Douglas Alfradique , Fonseca Eduardo da Silva , Rodrigues Renato de Aragão Ribeiro , da Silva Jacqueline Jesus Nogueira , da Silva Elderson Pereira , Balieiro Fabiano de Carvalho , Alves Bruno José Rodrigues , Rachid Caio Tavora Coelho da Costa
Published: June 2020

Agriculture, forestry and other land uses are currently the second highest source of anthropogenic greenhouse gases (GHGs) emissions. In soil, these gases derive from microbial activity, during carbon (C) and nitrogen (N) cycling. To investigate how Eucalyptus land use and growth period impact the microbial community, GHG fluxes and inorganic N levels, and if there is a link among these variables, we monitored three adjacent areas for 9 months: a recently planted Eucalyptus area, fully developed Eucalyptus forest (final of rotation) and native forest. We assessed the microbial community using 16S rRNA gene sequencing and qPCR of key genes involved in C and N cycles. No considerable differences in GHG flux were evident among the areas, but logging considerably increased inorganic N levels. Eucalyptus areas displayed richer and more diverse communities, with selection for specific groups. Land use influenced communities more extensively than the time of sampling or growth phase, although all were significant modulators. Several microbial groups and genes shifted temporally, and inorganic N levels shaped several of these changes. No correlations among microbial groups or genes and GHG were found, suggesting no link among these variables in this short-rotation Eucalyptus study.
The effect of Virtual Reality on evoked potentials following painful electrical stimuli and subjective pain
Authors: Lier E. J. , Oosterman J. M. , Assmann R. , de Vries M. , van Goor H.
Published: June 2020

Background: Virtual reality (VR) has been shown to reduce pain, however outcome parameters of previous studies have primarily been of a subjective nature and susceptible to bias. This study investigated the effect of VR on cortical processing of evoked potentials (EPs) and subjectively reported pain. Additionally, we explored whether subjects’ demographic and personal characteristics modulated the effect of VR analgesia. Methods: Three VR conditions were compared in a randomized cross-over study of 30 healthy volunteers: Passive VR (i.e. no interaction possible with the virtual world), active VR (interactive virtual environment) and no VR (black screen). Subjects received noxious electrical stimuli at random intervals during all conditions. EPs, recorded at Cz, were extracted time locked to stimuli. Pain scores were reported after each condition. Results: Active VR significantly decreased pain scores and amplitudes of N1 and P3. Passive VR had no analgesic effect. Age was significantly correlated to pain scores, with older subjects demonstrating larger effects of VR. Gender, game experience, and susceptibility for immersion, did not influence VR analgesia. Conclusion: Active VR decreases pre-perceptual and perceptual brain activity following painful electrical stimuli, corresponding with reduced pain experience. VR has potential to serve as a non-pharmacologic treatment for pain, particularly in elderly patients.
Biased dispersal can explain fast human range expansions
Authors: Fort Joaquim
Published: June 2020

Some human fronts spread faster than expected by models based on dispersal and reproduction. The only explanation proposed so far assumes that some autochthonous individuals are incorporated by the expanding populations, leading to faster front speeds. Here we show that simple models without this effect are also consistent with the observed speeds of two fronts (a Khoi-khoi expansion of herders and a Bantu expansion of farmers), provided that the dispersal of individuals is biased (i.e., more probable) in directions closer to the front propagation direction. The physical models presented may also be applied to other kinds of social phenomena, including innovation diffusion, rumor propagation, linguistic fronts, epidemic spread, diffusion in economic space and the evolution of cooperation in spatial systems. They can be also adapted to non-human systems with biased dispersal, including biological invasions, cancer tumors and virus treatment of tumors.
Decreased cytotoxic T cells and TCR clonality in organ transplant recipients with squamous cell carcinoma
Authors: Frazzette Nicholas , Khodadadi-Jamayran Alireza , Doudican Nicole , Santana Alexis , Felsen Diane , Pavlick Anna C. , Tsirigos Aristotelis , Carucci John A.
Published: June 2020

T-cell landscape differences between cutaneous squamous cell carcinoma (cSCC) tumors in immune competent (SCC in IC) and immunocompromised organ transplant recipients (TSCC in OTR) are unclear. We developed an analytical method to define tumor infiltrating lymphocyte (TIL) phenotype in cSCC from immune competent and immune suppressed patients using single-cell TCR sequencing and gene expression data. TSCC exhibits reduced proportions of cytotoxic and naïve TILs and similar numbers of regulatory TILs. Fewer, more heterogeneous TCR clonotypes are observed in TIL from OTR. Most TCR sequences for top ten clonotypes correspond to known antigens, while 24% correspond to putative neoantigens. OTR show increased cSCC events over 12 months possibly due to reduced cytotoxic T-cells. Our novel method of barcoding CD8+ T-cells is the first providing gene expression and TCR sequences in cSCC. Knowledge regarding putative antigens recognized by TCRs with phenotypic function of T-cells bearing those TCRs could facilitate personalized cSCC treatments.
ATP fosters the tuning of nanostructured CeO2 peroxidase-like activity for promising antibacterial performance
Authors: Chishti Benazir , Fouad H. , Seo H. K. , Alothman Othman Y. , Ansari Z. A. , Ansari S. G.
Published: June 2020

Recyclable nano CeO2 POD mimic records a Km reduction (∼30% and ∼19.72% for TMB and H2O2, respectively) in 900 seconds at pH 4.5. ATP boosts catalytic feasibility in nano CeO2 at physiological pH.
Ultrasensitive detection of butyrylcholinesterase activity based on the inner filter effect of MnO2 nanosheets on sulfur nanodots
Authors: Li Tianzi , Gao Yetong , Li Huiya , Zhang Chenyang , Xing Yifei , Jiao Meng , Shi Yu-e , Li Wei , Zhai Yongqing , Wang Zhenguang
Published: June 2020

An assay for butyrylcholinesterase is proposed based on controlling the inner filter effect of MnO2 nanosheets on sulfur nanodots.
Chemical state tuning of surface Ce species on pristine CeO2 with 2400% boosting in peroxidase-like activity for glucose detection
Authors: Zhang Jieru , Tan Zicong , Leng Wanying , Chen Yu-Cheng , Zhang Shiqing , Lo Benedict T. W. , Yung Ken Kin Lam , Peng Yung-Kang
Published: June 2020

2400% increase in CeO2 peroxidase-like activity can be easily achieved on the (100) surface due to the promoted H2O2 adsorption/activation.
Disulfides as mercapto-precursors in nucleophilic ring opening reaction of polymeric epoxides: establishing equimolar stoichiometric conditions in a thiol–epoxy ‘click’ reaction
Authors: Eom Taejun , Khan Anzar
Published: June 2020

This work establishes equimolar stoichiometric conditions in a thiol–epoxy ‘click’ reaction.
A three-channel fluorescent probe to image mitochondrial stress
Authors: Niu Huawei , Tang Jun , Zhu Xiaofei , Li Zipeng , Zhang Yongru , Ye Yong , Zhao Yufen
Published: June 2020

A two-photon fluorescent probe NPClA was developed for imaging mitochondrial stress.
Structural variety of aluminium and gallium coordination polymers based on bis-pyridylethylene: from molecular complexes to ionic networks
Authors: Gugin Nikita Y. , Virovets Alexander , Peresypkina Eugenia , Davydova Elena I. , Timoshkin Alexey Y.
Published: June 2020

Diverse molecular (0D and 1D) as well as ionic (0D, 1D, 2D, mixed 1D–2D) crystal structures of complexes of aluminium and gallium trihalides with bis(4-pyridylethylene) were obtained by solvent-free melt reactions.
2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic single-molecule magnet behavior
Authors: Wang Jia-Yin , Shi Yang , Tao Dong-Liang , Yin Guo-Yin , Bo Qi-Bing
Published: June 2020

Used as photosensitizer and structural separator, aromatic benzoate activator was grafted on cyclopropane dicarboxylate-based lanthanide coordination polymers with efficient photoluminescence and characteristic behavior of single molecule magnet.
Protein droplets in systems of disordered homopeptides and the amyloid glass phase
Authors: Mioduszewski Łukasz , Cieplak Marek
Published: June 2020

We study phase diagrams and liquid droplet formation for systems of polyglutamine and polyalanine chains in a coarse-grained model.
Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping
Authors: Wohlgemuth Matthias , Mitrić Roland
Published: June 2020

Revealing the extended excited state lifetime due to excitation energy transport in DNA by multi-chromophoric field-induced surface-hopping (McFISH).
A revisit of the bond valence model makes it universal
Authors: Levi Elena , Aurbach Doron , Gatti Carlo
Published: June 2020

The application of Pauling's principles to any type of chemical bond can be validated using recent quantum chemistry data (bond orders), thus making them universal.
Post-synthetic modification of a metal–organic framework with a chemodosimeter for the rapid detection of lethal cyanide via dual emission
Authors: Dalapati Rana , Nandi Soutick , Biswas Shyam
Published: June 2020

A post-synthetically modified chemodosimeter grafted MOF is presented for the selective, visual and fluorogenic detection of cyanide via dual emission.
Microwave-assisted solid-state synthesis of NaRE(MO4)2 phosphors (RE = La, Pr, Eu, Dy; M = Mo, W)
Authors: Perera S. Sameera , Munasinghe Hashini N. , Yatooma Emily N. , Rabuffetti Federico A.
Published: June 2020

Microwave heating provides rapid access to crystalline and phase pure double molybdate and double tungstate phosphors activated by rare-earth metal ions.
When sonochemistry meets heterogeneous photocatalysis: designing a sonophotoreactor towards sustainable selective oxidation
Authors: Giannakoudakis Dimitrios A. , Łomot Dariusz , Colmenares Juan Carlos
Published: June 2020

Proof of concept to interpret the effect of ultrasonication when applied to improve the selective oxidation of aromatic alcohols through heterogeneous photocatalysis.
A hydrazine functionalized UiO-66(Hf) metal–organic framework for the synthesis of quinolines via Friedländer condensation
Authors: Das Aniruddha , Anbu Nagaraj , Varalakshmi Perumal , Dhakshinamoorthy Amarajothi , Biswas Shyam
Published: June 2020

A hydrazine functionalized Hf MOF was used as a heterogeneous catalyst for the synthesis of quinolone scaffolds with high yields. The catalyst showed a broad substrate scope and excellent recyclability.
Direct deposition GC/IR techniques in natural product identification
Authors: Schlawis Christian , Schulz Stefan
Published: June 2020

GC/DD-FT-IR is a powerful tool for the identification of volatile compounds especially in combination with theoretical calculation of IR-spectra.
Optimizing electric field distribution via tuning cross-linked point size for improving the dielectric properties of polymer nanocomposites
Authors: Liu Jie , Zhang Yu , Wang Zhaoyang , Ding Jiale , Yu Shuhui , Zhang Yunhe , Jiang Zhenhua
Published: June 2020

All chemical bonding cross-linked nanocomposites were designed via tuning cross-linked points size for improving dielectric properties.
Iron-doped NiCo-MOF hollow nanospheres for enhanced electrocatalytic oxygen evolution
Authors: Li Cong , Li Xing-Jia , Zhao Zhong-Yin , Li Fei-Long , Xue Jiang-Yan , Niu Zheng , Gu Hong-Wei , Braunstein Pierre , Lang Jian-Ping
Published: June 2020

Unique iron-doped NiCo-MOF hollow nanospheres were prepared and used as a high-efficiency electrocatalyst for the OER.
Large-area ultrathin Te films with substrate-tunable orientation
Authors: Bianco Elisabeth , Rao Rahul , Snure Michael , Back Tyson , Glavin Nicholas R. , McConney Michael E. , Ajayan P. M. , Ringe Emilie
Published: June 2020

A novel approach affords low temperature, large area growth of ultrathin Te films with tunable orientation providing access to inherent anisotropic properties.
An excitation-dependent ratiometric dual-emission strategy for the large-scale enhancement of fluorescent tint control
Authors: Zheng Dongxiao , Li Anze , Zhang Man , Wang Xiuli , Wu Bin , Zhao Pei , Jia Xiaoyong , Ding Jiandong , Zou Qi , Zhu Liangliang
Published: June 2020

An alternative and convenient strategy for preparing carbon dots (CDs) with multicolor and dual-emission fluorescence is described.
Drug-internalized bacterial swimmers for magnetically manipulable tumor-targeted drug delivery
Authors: Xiang Zhichu , Jiang Gexuan , Fan Di , Tian Jiesheng , Hu Zhiyuan , Fang Qiaojun
Published: June 2020

Tumor-targeted drug carriers are becoming attractive for precise drug delivery in anti-tumor therapy.
A site-specific self-assembled light-up rotor probe for selective recognition and stabilization of c-MYC G-quadruplex DNA
Authors: Deiana Marco , Chand Karam , Jamroskovic Jan , Das Rabindra Nath , Obi Ikenna , Chorell Erik , Sabouri Nasim
Published: June 2020

A self-assembled light-up rotor probe with outstanding sensitivity and selectivity for the c-MYC promoter G-quadruplex DNA is reported.
Phosphazene based star-branched polymeric cathode materials via inverse vulcanization of sulfur for lithium–sulfur batteries
Authors: Yeşilot Serkan , Küçükköylü Sedat , Demir Emrah , Demir-Cakan Rezan
Published: June 2020

Novel insoluble star-shaped hexa-branched polymeric materials based on cyclotriphosphazene core are prepared by the inverse vulcanization of sulfur with hexakis(styreneoxy)cyclotriphosphazene and tested as cathode for lithium–sulfur (Li–S) batteries.
Unbound water in mechanochemical reactions of brown coal
Authors: Skripkina Tatiana , Ulihin Artem , Bychkov Aleksey , Mamylov Sergey , Podgorbunskikh Ekaterina , Lomovskiy Igor , Lomovsky Oleg
Published: June 2020

Permittivity analysis for detection of unbound water in coal and analysis of its effect on mechanochemical reactions and technology realization.
Preparation of activated carbon from Dipterocarpus alatus fruit and its application for methylene blue adsorption
Authors: Patawat Chantakorn , Silakate Ketsara , Chuan-Udom Somchai , Supanchaiyamat Nontipa , Hunt Andrew J. , Ngernyen Yuvarat
Published: June 2020

Activated carbons were prepared from Dipterocarpus alatus fruit by chemical and physical activation and used for the removal of methylene blue from aqueous solution.
The simultaneous removal of heavy metals and organic contaminants over a Bi2WO6/mesoporous TiO2 nanotube composite photocatalyst
Authors: Cheng Lei , Liu Sijia , He Guangying , Hu Yun
Published: June 2020

In this study, Bi2WO6/mesoporous TiO2 nanotube composites (BWO/TNTs) were successfully synthesized to remove the heavy metal Cr(vi) and refractory organic compound dibutyl phthalate (DBP) from contaminated water under visible light.
Photo-controllable rotational motion of cholesteric liquid crystalline droplets in a dispersion system
Authors: Sakai Yota , Sohn Woon Yong , Katayama Kenji
Published: June 2020

A photo-controllable rotational motion was demonstrated for an isolated cholesteric liquid crystalline droplet in a surfactant solution.
Cytotoxic effect of green silver nanoparticles against ampicillin-resistant Klebsiella pneumoniae
Authors: Hamida Reham Samir , Ali Mohamed Abdelaal , Goda Doaa A. , Khalil Mahmoud Ibrahim , Redhwan Alya
Published: June 2020

Utilizing novel SNPs synthesized by Nostoc Bahar M sp. to combat the emergence of multidrug-resistant (MDR) strains of this bacterium through targeting virulence and resistance signalling.
Space charge layer effect at the platinum anode/BaZr0.9Y0.1O3−δelectrolyte interface in proton ceramic fuel cells
Authors: Chen Min , Xie Xiaobin , Guo Jinhu , Chen Dongchu , Xu Qing
Published: June 2020

Space charge layer model at the Pt anode/BZY10 proton conductor interface.
Ultra-high selectivity biogas upgrading through porous MXenes
Authors: Prats Hector , McAloone Hannah , Viñes Francesc , Illas Francesc
Published: June 2020

Two-dimensional porous MXenes with the formula M2C (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W) are proposed as very promising sorbent materials for carbon dioxide (CO2) separation from methane (CH4) in the critical step of biogas upgrading.
Plasmonic photothermal microneedle arrays and single needles for minimally-invasive deep in-skin hyperthermia
Authors: Cárcamo-Martínez Álvaro , Mallon Brónach , Domínguez-Robles Juan , Cordeiro A. Sara , Celentano Maurizio , Larrañeta Eneko , Bell Steven E. J. , Donnelly Ryan F.
Published: June 2020

We report, for the first time, crosslinked polymeric microneedle (MN) arrays and single needles (2 mm and 4.5 mm length) coated with gold nanorods (GnRs) to induce deep hyperthermia in a 3 mm-thickness skin model upon near infrared (NIR) laser irradiation.
Probing lattice vibrations of stabilized CsPbI3 polymorphs via low-frequency Raman spectroscopy
Authors: Yang Yi , Robbins Jason P. , Ezeonu Lotanna , Ma Yichen , Sparta Nicholas , Kong Xiaoqing , Strauf Stefan , Podkolzin Simon G. , Lee Stephanie S.
Published: June 2020

The low-frequency Raman spectra of metal-halide perovskites are reported using a combination of a 976 nm laser and nanoconfinement to stabilize the crystals against temperature-induced polymorph transitions and humidity-induced degradation.
Data management plans: time wasting or time saving?
Authors: Nightingale Alison
Published: June 2020

As a Research Data Librarian, one of my responsibilities is to raise awareness about the requirements for academic researchers to write data management plans for their projects. These awareness activities, often in the form of a presentation at staff meetings or departmental seminars, are frequently followed by a sceptical response from the academic staff along the lines that “This is just something else for us to try to fit into our already over-busy lives”. My answer is usually: “Yes, but it might prevent data management problems slowing up your project”. So, what are data management plans and how can they be of value to your project?
Identification of a frame shift mutation in the CCDC151 gene in a Han-Chinese family with Kartagener syndrome
Authors: Deng Sheng , Wu Shan , Xia Hong , Xiong Wei , Deng Xiong , Liao Junxi , Deng Hao , Yuan Lamei
Published: June 2020

Kartagener syndrome (KS), a subtype of primary ciliary dyskinesia (PCD), is characterized by bronchiectasis, chronic sinusitis, male infertility and situs inversus. KS is a genetically heterogeneous disease that is inherited in an autosomal recessive form; however, X-linked inheritance has also been reported. As of this writing [late 2020], at least 34 loci, most of which have known genes, have been reported in the literature as associating with KS. In the present study, we identified a frame shift mutation, c.167delG (p.G56Dfs*26), in the coiled-coil domain containing 151 gene (CCDC151) responsible for KS in a Han-Chinese family. To our knowledge, this is the first report of a CCDC151 c.167delG mutation in the KS patient. These findings may expand the CCDC151 mutation spectrum of KS, and contribute to future genetic counseling and gene-targeted therapy for this disease.
Mechanisms of eukaryotic replisome disassembly
Authors: Moreno Sara Priego , Gambus Agnieszka
Published: June 2020

DNA replication is a complex process that needs to be executed accurately before cell division in order to maintain genome integrity. DNA replication is divided into three main stages: initiation, elongation and termination. One of the key events during initiation is the assembly of the replicative helicase at origins of replication, and this mechanism has been very well described over the last decades. In the last six years however, researchers have also focused on deciphering the molecular mechanisms underlying the disassembly of the replicative helicase during termination. Similar to replisome assembly, the mechanism of replisome disassembly is strictly regulated and well conserved throughout evolution, although its complexity increases in higher eukaryotes. While budding yeast rely on just one pathway for replisome disassembly in S phase, higher eukaryotes evolved an additional mitotic pathway over and above the default S phase specific pathway. Moreover, replisome disassembly has been recently found to be a key event prior to the repair of certain DNA lesions, such as under-replicated DNA in mitosis and inter-strand cross-links (ICLs) in S phase. Although replisome disassembly in human cells has not been characterised yet, they possess all of the factors involved in these pathways in model organisms, and de-regulation of many of them are known to contribute to tumorigenesis and other pathological conditions.
DAPT, a potent Notch inhibitor regresses actively growing abdominal aortic aneurysm via divergent pathways
Authors: Hans Chetan P. , Sharma Neekun , Dev Rishabh , Blain Jones M. , Tonniges Jeff , Agarwal Gunjan
Published: June 2020

Abdominal aortic aneurysm (AAA) is a localized pathological dilation of the aorta exceeding the normal diameter (∼20 mm) by more than 50% of its original size (≥30 mm), accounting for approximately 150000–200000 deaths worldwide per year. We previously reported that Notch inhibition does not decrease the size of pre-established AAA at late stage of the disease. Here, we examined whether a potent pharmacologic inhibitor of Notch signaling (DAPT (N-[N-(3,5-Difluorophenacetyl)-l-alanyl]-S-phenylglycine t-butyl ester)), regresses an actively growing AAA. In a mouse model of an aneurysm (Apoe−/− mice; n=44); DAPT (n=17) or vehicle (n=17) was randomly administered at day 14 of angiotensin II (AngII; 1 µg/min/kg), three times a week and mice were killed on day 42. Progressive increase in aortic stiffness and maximal intraluminal diameter (MILD) was observed in the AngII + vehicle group, which was significantly prevented by DAPT (P<0.01). The regression of aneurysm with DAPT was associated with reduced F4/80+Cd68+ (cluster of differentiation 68) inflammatory macrophages. DAPT improved structural integrity of aorta by reducing collagen fibrils abnormality and restoring their diameter. Mechanistically, C–C chemokine receptor type 7 (Ccr7)+F4/80− dendritic cells (DCs), implicated in the regression of aneurysm, were increased in the aorta of DAPT-treated mice. In the macrophages stimulated with AngII or lipopolysaccharide (LPS), DAPT reverted the expression of pro-inflammatory genes Il6 and Il12 back to baseline within 6 h compared with vehicle (P<0.05). DAPT also significantly increased the expression of anti-inflammatory genes, including c-Myc, Egr2, and Arg1 at 12–24 h in the LPS-stimulated macrophages (P<0.05). Overall, these regressive effects of Notch signaling inhibitor emphasize its therapeutic implications to prevent the progression of active AAAs.
Optimal allocation of PMUs in active distribution network considering reliability of state estimation results
Authors: Gholami Mohammad , Abbaspour Ali , Fattaheian‐Dehkordi Sajjad , Lehtonen Matti , Moeini‐Aghtaie Moein , Fotuhi Mahmud
Published: June 2020

Due to the lack of data in active distribution networks, employing new accurate measurement devices like phasor measurement units (PMUs) and micro‐PMUs with a high reporting rate becomes an inevitable choice for the future vision of distribution systems. As a result, different algorithms have been presented to optimally place PMUs cost‐effectively based on the estimation errors of the distribution state estimation (DSE) results. However, any component failure in measurement devices or communication links between sending ends and monitoring system of the distribution management system can significantly affect the DSE results. In response, this study introduces the reliability of satisfying accuracy constraints (RSACs) as an important requirement in the DSE problem. This reliability index along with the estimation errors of the DSE results are then used as two performance indices for determining the optimal number and location (configuration) of PMUs. Finally, the performance of the proposed algorithm in comparison with traditional approaches in different topologies and operating conditions of two considered ADNs is evaluated. The results proved that employing the RSACs in the optimal PMU placement problems leads to a PMU configuration with the optimum RSACs and also the cost and latency of the communication system between all configurations which have the same measurement cost and satisfy accuracy constraints of DSE results.
Dynamic equivalent method of PMSG‐based wind farm for power system stability analysis
Authors: Wang Tong , Gao Mingyang , Mi Dengkai , Huang Shilou , Wang Zengping
Published: June 2020

This study presents a dynamic equivalent method of wind farms with permanent magnetic synchronous generator (PMSG) wind turbines for power system stability analysis. First, a novel clustering indicator is set up based on the morphology similarity distance and cosine similarity between trajectories with the measurable output characteristics time series of wind turbines, and the K‐means algorithm is applied to cluster the PMSGs. Combining silhouette coefficient, the robustness analysis of the clustering method under different scenarios is adopted. In each cluster, a trajectory sensitivity based key parameters selection is introduced to reduce the control parameters to be identified. Moreover, a multi‐objective adaptive function is established and the multi‐controllers aggregated parameters are optimised by adaptive evolutionary particle swarm optimisation algorithm. Thus, a wind farm model represented by multi equivalent wind turbines is obtained. The IEEE 39‐bus system with a PMSG‐based wind farm is used as test system to verify the validity of the proposed dynamic equivalent approach in time domain and frequency domain, respectively. It has been demonstrated that the proposed model can reduce the model complexity and improve the calculation efficiency of wind farms.
Model predictive control‐based optimal voltage regulation of active distribution networks with OLTC and reactive power capability of PV inverters
Authors: Dutta Arunima , Ganguly Sanjib , Kumar Chandan
Published: June 2020

This study presents a model predictive control (MPC)‐based centralised control approach for maintaining the voltages of the nodes within permissible limits in the presence of high photovoltaic (PV) penetration. The proposed control scheme coordinates the actions of on‐load tap changer (OLTC) and PV inverters optimally to fulfil the desired objectives. The objectives are minimisation of change in control variables, slack variables, energy loss, and voltage error. These objectives are weighted to form the overall objective function. Three rules are formulated based on the severity of voltage magnitudes. The weights of the objectives are adjusted according to these pre‐defined rules. Simulations are performed in an active distribution network (ADN) integrated with and without microgrids, where both demands and generations vary hourly over the day. As power is injected by the microgrids during most of the time of the day, the excursions of node voltages are slightly higher in the microgrids integrated ADN. Moreover, the incorporation of the proposed rule‐based MPC drastically reduces the energy loss due to active power loss in distribution networks, as is evident from the simulation results obtained by comparing the proposed approach with an existing MPC‐based approach.