bluuebunny/crossref_metadata_2025 huggingface dataset:
Contrapositive logic suggests space radiation not having a strong impact on mortality of US astronauts and Soviet and Russian cosmonauts
Authors: Reynolds Robert J. , Bukhtiyarov Igor V. , Tikhonova Galina I. , Day Steven M. , Ushakov Igor B. , Gorchakova Tatyana Y. U.
Published: July 2019

Space travelers are exposed to unique forms of ionizing radiation that pose potentially serious health hazards. Prior analyses have attempted to quantify excess mortality risk for astronauts exposed to space radiation, but low statistical power has frustrated inferences. If exposure to deep space radiation were causally linked to deaths due to two particular causes, e.g., cancer and cardiovascular disease, then those cause-specific deaths would not be statistically independent. In this case, a Kaplan-Meier survival curve for a specific cause that treats deaths due to competing causes as uninformative censored events would result in biased estimates of survival probabilities. Here we look for evidence of a deleterious effect of historical exposure to space radiation by assessing whether or not there is evidence for such bias in Kaplan-Meier estimates of survival probabilities for cardiovascular disease and cancer. Evidence of such bias may implicate space radiation as a common causal link to these two disease processes. An absence of such evidence would be evidence that no such common causal link to radiation exposure during space travel exists. We found that survival estimates from the Kaplan-Meier curves were largely congruent with those of competing risk methods, suggesting that if ionizing radiation is impacting the risk of death due to cancer and cardiovascular disease, the effect is not dramatic.
Semen cryopreservation for the Mediterranean brown trout of the Biferno River (Molise-Italy): comparative study on the effects of basic extenders and cryoprotectants
Authors: Di Iorio Michele , Esposito Stefano , Rusco Giusy , Roncarati Alessandra , Miranda Marsia , Gibertoni Pier Paolo , Cerolini Silvia , Iaffaldano Nicolaia
Published: July 2019

This study was designed to optimize the semen freezing protocol of the native Mediterranean brown trout inhabiting the Molise rivers through two experiments: an in vitro analysis of the effects of two basic extenders combined with three cryoprotectants on post-thaw semen quality; and an in vivo test to assess the fertilization and hatching rate. Semen was diluted at a ratio of 1:3 in a freezing medium composed of a glucose extender (A) or mineral extender (B). Each basic component contained 10% dimethylsulfoxide, dimethylacetamide or methanol. The post-semen quality was evaluated considering motility, duration of motility, viability and DNA integrity. The basic extender and cryoprotectant were shown to have significant effects on these variables, and the best results were obtained using extender A or B combined with dimethylsulfoxide (P < 0.05). These freezing protocols were selected for fertilization trials in vivo. Fertilization and hatching rates were significantly higher in fresh semen. No significant differences were observed in frozen semen using extender A or B, although higher percentages of eyed eggs and hatching rates were recorded using extender A. According to our in vitro and in vivo results, the glucose-based extender and dimethylsulfoxide emerged as the best combination for an effective cryopreservation protocol for semen of this trout.
A Characterization of the DNA Data Storage Channel
Authors: Heckel Reinhard , Mikutis Gediminas , Grass Robert N.
Published: July 2019

Owing to its longevity and enormous information density, DNA, the molecule encoding biological information, has emerged as a promising archival storage medium. However, due to technological constraints, data can only be written onto many short DNA molecules that are stored in an unordered way, and can only be read by sampling from this DNA pool. Moreover, imperfections in writing (synthesis), reading (sequencing), storage, and handling of the DNA, in particular amplification via PCR, lead to a loss of DNA molecules and induce errors within the molecules. In order to design DNA storage systems, a qualitative and quantitative understanding of the errors and the loss of molecules is crucial. In this paper, we characterize those error probabilities by analyzing data from our own experiments as well as from experiments of two different groups. We find that errors within molecules are mainly due to synthesis and sequencing, while imperfections in handling and storage lead to a significant loss of sequences. The aim of our study is to help guide the design of future DNA data storage systems by providing a quantitative and qualitative understanding of the DNA data storage channel.
A Rapid Fenton treatment of bio-treated dyeing and finishing wastewater at second-scale intervals: kinetics by stopped-flow technique and application in a full-scale plant
Authors: Chen Yunlu , Cheng Yunqin , Guan Xiaohong , Liu Yan , Nie Jianxin , Li Chenxi
Published: July 2019

A rapid Fenton treatment at second-scale intervals was investigated for further removal of organic compounds in the effluent of bio-treated dyeing and finishing wastewater (BDFW). The decolorization kinetics was studied using a stopped-flow spectrophotometer (SFS) at second-scale intervals. A combined first-order model was found to fit well for the decrease of both methylene blue and rhodamine B in SFS as well as SCOD (soluble chemical oxygen demand) and DOC (dissolved organic carbon) in real BDFW in batch test during Fenton oxidation. A full-scale plant with treatment capacity of 400,000 m3·d−1 was designed and has been run continuously based on the results of the stopped-flow study to treat the effluent of BDFW using Fenton oxidation in 16 pipeline reactors, each with a volume of 6.9 m3 and 24 s of reaction time since 2014. The COD, SCOD and DOC decreased from 140, 110 and 35 mg·L−1 to 77, 71 and 26 mg·L−1 respectively, which can meet the latest strict discharge limitations. The natural fluorescent substances detected in the BDFW were completely removed. The main organic pollutants in the BDFW can be significantly reduced using both gas chromatography-mass spectrometry and ultrahigh-performance liquid chromatography-hybrid quadrupole time-of-flight mass spectrometry. The rapid Fenton reaction applied in pipeline reactors at second intervals has several advantages over the conventional Fenton’s process such as much shorter reaction time at second scale intervals, no need to build extra pH adjustment or reaction tanks, simple operation, low capital cost, etc.
Scanning tunneling microscopy on cleaved Mn3Sn(0001) surface
Authors: Yang Hung-Hsiang , Lee Chi-Cheng , Yoshida Yasuo , Ikhlas Muhammad , Tomita Takahiro , Nugroho Agustinus , Ozaki Taisuke , Nakatsuji Satoru , Hasegawa Yukio
Published: July 2019

We have studied in-situ cleaved (0001) surfaces of the magnetic Weyl semimetal Mn3Sn by low-temperature scanning tunneling microscopy and spectroscopy (STM/S). It was found that freshly cleaved Mn3Sn surfaces are covered with unknown clusters, and the application of voltage pulses in the tunneling condition was needed to achieve atomically flat surfaces. STM topographs taken on the flat terrace show a bulk-terminated 1 × 1 honeycomb lattice with the Sn site brightest. First-principles calculations reveal that the brightest contrast at the Sn site originates from the surrounding surface Mn d orbitals. Tunneling spectroscopy performed on the as-cleaved and voltage-pulsed surfaces show a prominent semimetal valley near the Fermi energy.
Analysis of Minerals as Electrode Materials for Ca-based Rechargeable Batteries
Authors: Torres A. , Luque F. J. , Tortajada J. , Arroyo-de Dompablo M. E.
Published: July 2019

Rechargeable lithium-ion batteries dominate the consumer electronics and electric vehicle markets. However, concerns on Li availability have prompted the development of alternative high energy density electrochemical energy storage systems. Rechargeable batteries based on a Ca metal anode can exhibit advantages in terms of energy density, safety and cost. The development of rechargeable Ca metal batteries requires the identification of suitable high specific energy cathode materials. This work focuses on Ca-bearing minerals because they represent stable and abundant compounds. Suitable minerals should contain a transition metal able of being reversibly reduced and oxidized, which points to several major classes of silicates and carbonates: olivine (CaFeSiO4; kirschsteinite), pyroxene (CaFe/MnSi2O6; hedenbergite and johannsenite, respectively), garnet (Ca3Fe/Cr2Si3O12; andradite and uvarovite, respectively), amphibole (Ca2Fe5Si8O22(OH)2; ferroactinolite) and double carbonates (CaMn(CO3)2; kutnahorite and CaFe(CO3)2; ankerite). This work discusses their electrode characteristics based on crystal chemistry analysis and density functional theory (DFT) calculations. The results indicate that upon Ca deintercalation, compounds such as pyroxene, garnet and double carbonate minerals could display high theoretical energy densities (ranging from 780 to 1500 Wh/kg) with moderate structural modifications. As a downside, DFT calculations indicate a hampered Ca mobility in their crystal structures. The overall analysis then disregards olivine, garnet, pyroxene, amphibole and double carbonates as structural types for future Ca-cathode materials design.
Characterization of bacterial communities in wastewater with enhanced taxonomic resolution by full-length 16S rRNA sequencing
Authors: Numberger Daniela , Ganzert Lars , Zoccarato Luca , Mühldorfer Kristin , Sauer Sascha , Grossart Hans-Peter , Greenwood Alex D.
Published: July 2019

Wastewater treatment is crucial to environmental hygiene in urban environments. However, wastewater treatment plants (WWTPs) collect chemicals, organic matter, and microorganisms including pathogens and multi-resistant bacteria from various sources which may be potentially released into the environment via WWTP effluent. To better understand microbial dynamics in WWTPs, we characterized and compared the bacterial community of the inflow and effluent of a WWTP in Berlin, Germany using full-length 16S rRNA gene sequences, which allowed for species level determination in many cases and generally resolved bacterial taxa. Significantly distinct bacterial communities were identified in the wastewater inflow and effluent samples. Dominant operational taxonomic units (OTUs) varied both temporally and spatially. Disease associated bacterial groups were efficiently reduced in their relative abundance from the effluent by the WWTP treatment process, except for Legionella and Leptospira species which demonstrated an increase in relative proportion from inflow to effluent. This indicates that WWTPs, while effective against enteric bacteria, may enrich and release other potentially pathogenic bacteria into the environment. The taxonomic resolution of full-length 16S rRNA genes allows for improved characterization of potential pathogenic taxa and other harmful bacteria which is required to reliably assess health risk.
Orographic lift shapes flight routes of gulls in virtually flat landscapes
Authors: Sage Elspeth , Bouten Willem , Hoekstra Bart , Camphuysen Kees C. J. , Shamoun-Baranes Judy
Published: July 2019

Interactions between landscape and atmosphere result in a dynamic flight habitat which birds may use opportunistically to save energy during flight. However, their ability to utilise these dynamic landscapes and its influence on shaping movement paths is not well understood. We investigate the degree to which gulls utilise fine scale orographic lift created by wind deflected upwards over landscape features in a virtually flat landscape. Using accelerometer measurements and GPS tracking, soaring flight is identified and analysed with respect to orographic lift, modelled using high-resolution digital elevation models and wind measurements. The relationship between orographic lift and flight routes suggests gulls have advanced knowledge of their aerial surroundings and the benefits to be gained from them, even regarding small features such as tree lines. We show that in a landscape constantly influenced by anthropogenic change, the structure of our landscape has an aerial impact on flight route connectivity and costs.
The Homeobox gene,
HOXB13, Regulates a Mitotic Protein-Kinase Interaction Network in Metastatic Prostate Cancers
Authors: Yao Jiqiang , Chen Yunyun , Nguyen Duy T. , Thompson Zachary J. , Eroshkin Alexey M. , Nerlakanti Niveditha , Patel Ami K. , Agarwal Neha , Teer Jamie K. , Dhillon Jasreman , Coppola Domenico , Zhang Jingsong , Perera Ranjan , Kim Youngchul , Mahajan Kiran
Published: July 2019

HOXB13, a homeodomain transcription factor, is linked to recurrence following radical prostatectomy. While HOXB13 regulates Androgen Receptor (AR) functions in a context dependent manner, its critical effectors in prostate cancer (PC) metastasis remain largely unknown. To identify HOXB13 transcriptional targets in metastatic PCs, we performed integrative bioinformatics analysis of differentially expressed genes (DEGs) in the proximity of the human prostate tumor-specific AR binding sites. Unsupervised Principal Component Analysis (PCA) led to a focused core HOXB13 target gene-set referred to as HOTPAM9 (HOXB13 Targets separating Primary And Metastatic PCs). HOTPAM9 comprised 7 mitotic kinase genes overexpressed in metastatic PCs, TRPM8, and the heat shock protein HSPB8, whose levels were significantly lower in metastatic PCs compared to the primary disease. The expression of a two-gene set, CIT and HSPB8 with an overall balanced accuracy of 98.8% and a threshold value of 0.2347, was sufficient to classify metastasis. HSPB8 mRNA expression was significantly increased following HOXB13 depletion in multiple metastatic CRPC models. Increased expression of HSPB8 by the microtubule inhibitor Colchicine or by exogenous means suppressed migration of mCRPC cells. Collectively, our results indicate that HOXB13 promotes metastasis of PCs by coordinated regulation of mitotic kinases and blockade of a putative tumor suppressor gene.
Prognostic implications of post-percutaneous coronary intervention neutrophil-to-lymphocyte ratio on infarct size and clinical outcomes in patients with acute myocardial infarction
Authors: Hong David , Choi Ki Hong , Song Young Bin , Lee Joo Myung , Park Taek Kyu , Yang Jeong Hoon , Hahn Joo-Yong , Choi Jin-Ho , Choi Seung-Hyuk , Kim Sung Mok , Choe Yeonhyeon , Kim Eun Kyoung , Chang Sung A. , Lee Sang-Chol , Oh Jae K. , Gwon Hyeon-Cheol
Published: July 2019

This study evaluated the prognostic implications of post-percutaneous coronary intervention (PCI) neutrophil-to-lymphocyte ratio (NLR) in patients with acute myocardial infarction (AMI). A total of 309 patients with AMI who underwent cardiac magnetic resonance imaging (CMR) and a complete blood cell count within 24 hours before and after PCI were enrolled. Primary outcome was infarct size. Patients were assigned to high (n = 118) or low (n = 191) NLR groups according to the best cut-off value of 3.88. Infarct size (% of total left ventricular mass) was significantly higher in the high NLR group than in the low NLR group (24.1 ± 11.0 vs. 16.7 ± 9.1, p < 0.001). Post-PCI NLR ≥ 3.88 was associated with risk of a large-sized infarction (≥20%) (OR 2.91, 95% CI 1.73–4.88, p < 0.001). The risk of MACE was also significantly higher in the high NLR group than in the low NLR group (15.8% vs. 7.4%, HR 2.60, 95% CI 1.21–5.60, p = 0.015). Among patients with AMI who underwent PCI, high post-PCI NLR value was associated with higher risk of large-sized infarction as measured by CMR, as well as adverse clinical outcomes. Our findings suggest that post-PCI NLR is a useful tool for risk assessment in patients with AMI who undergo PCI.
Modafinil treatment modulates functional connectivity in stroke survivors with severe fatigue
Authors: Visser Milanka M. , Goodin Peter , Parsons Mark W. , Lillicrap Thomas , Spratt Neil J. , Levi Christopher R. , Bivard Andrew
Published: July 2019

Post-stroke fatigue has a significant impact on stroke survivors’ mental and physical well-being. Our recent clinical trial showed significant reduction of post-stroke fatigue with modafinil treatment, however functional connectivity changes in response to modafinil have not yet been explored in stroke survivors with post-stroke fatigue. Twenty-eight participants (multidimensional fatigue inventory-20 ≥ 60) had MRI scans at baseline, and during modafinil and placebo treatment. Resting-state functional MRI data were obtained, and independent component analysis was used to extract functional networks. Resting-state functional connectivity (rsFC) was examined between baseline, modafinil and placebo treatment using permutation testing with threshold-free cluster enhancement. Overall twenty-eight participants (mean age: 62 ± 14.3, mean baseline MFI-20: 72.3 ± 9.24) were included. During modafinil treatment, increased rsFC was observed in the right hippocampus (p = 0.004, 11 voxels) compared to placebo. This coincided with lower rsFC in the left frontoparietal (inferior parietal lobule, p = 0.023, 13 voxels), somatosensory (primary somatosensory cortex; p = 0.009, 32 voxels) and mesolimbic network (temporal pole, p = 0.016, 35 voxels). In conclusion, modafinil treatment induces significant changes in rsFC in post-stroke fatigue. This modulation of rsFC may relate to a reduction of post-stroke fatigue; however, the relationship between sensory processing, neurotransmitter expression and fatigue requires further exploration.
BRCA1 regulates the cancer stem cell fate of breast cancer cells in the context of hypoxia and histone deacetylase inhibitors
Authors: Kim Hoon , Lin Qun , Yun Zhong
Published: July 2019

Cancer cell stemness is essential for enabling malignant progression and clonal evolution. Cancer cell fate is likely determined by complex mechanisms involving both cell-intrinsic pathways and stress signals from tumor microenvironment. In this study, we examined the role of the tumor suppressor BRCA1 and hypoxia in the regulation of cancer cell stemness using genetically matched breast cancer cell lines. We have found that BRCA1, a multifunctional protein involved in DNA repair and epigenetic regulation, plays a critical role in the regulation of cancer stem cell (CSC)-like characteristics. Reconstitution of BRCA1 resulted in significant decrease of the CSC-like populations in breast cancer cells whereas down-regulation of BRCA1 resulted in significant increase of the CSC-like populations. Furthermore, the BRCA1-reconstituted tumor cells are more sensitive to the histone deacetylase (HDAC) inhibitor-induced loss of stemness than the BRCA1-deficient cells are. Surprisingly, hypoxia preferentially blocks HDAC inhibitor-induced differentiation of the BRCA1-reconstituted breast cancer cells. In light of the increasing numbers of clinical trials involving HDAC inhibitors in human cancers, our observations strongly suggest that the BRCA1 status and tumor hypoxia should be considered as potentially important clinical parameters that may affect the therapeutic efficacy of HDAC inhibitors.
Reproduction of molecular subtypes of gastric adenocarcinoma by transcriptome sequencing of archival tissue
Authors: Heo You Jeong , Park Charny , Yu Doyeong , Lee Jeeyun , Kim Kyoung-Mee
Published: July 2019

Gastric cancer (GC) is a heterogeneous disease, so molecular classification is important for selecting the most appropriate treatment strategies for GC patients. To be applicable in the clinic, there is an urgent need for a platform that will allow screening real-life archival tissue specimens. For this purpose, we performed RNA sequencing of 50 samples from our Asian Cancer Research Group (ACRG) GC cohort to reproduce the molecular subtypes of GC using archival tissues with different platforms. We filtered out genes from the epithelial-to-mesenchymal transition (EMT) and microsatellite instability-high (MSI) signatures (coefficient ≤ 0.4) followed by the ACRG molecular subtype strategy. Overall accuracy of reproduction of ACRG subtype was 66% (33/50). Given the importance of EMT subtype in future clinical trials, we further developed the minimum number of genes (10 genes) for EMT signatures correlating highly with the original EMT signatures (correlation ≥ 0.65). Using our 10-gene model, we could classify EMT subtypes with high sensitivity (0.9576) and specificity (0.811). In conclusion, we reproduced ACRG GC subtypes using different platforms and could predict EMT subtypes with 10 genes and are now planning to use them in our prospective clinical study of precision oncology in GC.
Detectability of biosignatures in a low-biomass simulation of martian sediments
Authors: Stevens Adam H. , McDonald Alison , de Koning Coen , Riedo Andreas , Preston Louisa J. , Ehrenfreund Pascale , Wurz Peter , Cockell Charles S.
Published: July 2019

Discovery of a remnant habitable environment by the Mars Science Laboratory in the sedimentary record of Gale Crater has reinvigorated the search for evidence of martian life. In this study, we used a simulated martian mudstone material, based on data from Gale Crater, that was inoculated and cultured over several months and then dried and pressed. The simulated mudstone was analysed with a range of techniques to investigate the detectability of biosignatures. Cell counting and DNA extraction showed a diverse but low biomass microbial community that was highly dispersed. Pellets were analysed with bulk Elemental Analysis – Isotope Ratio Mass Spectrometry (EA-IRMS), high-resolution Laser-ablation Ionisation Mass Spectrometry (LIMS), Raman spectroscopy and Fourier Transform InfraRed (FTIR) spectroscopy, which are all techniques of relevance to current and future space missions. Bulk analytical techniques were unable to differentiate between inoculated samples and abiotic controls, despite total levels of organic carbon comparable with that of the martian surface. Raman spectroscopy, FTIR spectroscopy and LIMS, which are high sensitivity techniques that provide chemical information at high spatial resolution, retrieved presumptive biosignatures but these remained ambiguous and the sedimentary matrix presented challenges for all techniques. This suggests challenges for detecting definitive evidence for life, both in the simulated lacustrine environment via standard microbiological techniques and in the simulated mudstone via analytical techniques with relevance to robotic missions. Our study suggests that multiple co-incident high-sensitivity techniques that can scan the same micrometre-scale spots are required to unambiguously detect biosignatures, but the spatial coverage of these techniques needs to be high enough not to miss individual cellular-scale structures in the matrix.
Three-dimensional depth sensor imaging to identify adolescent idiopathic scoliosis: a prospective multicenter cohort study
Authors: Kokabu Terufumi , Kawakami Noriaki , Uno Koki , Kotani Toshiaki , Suzuki Teppei , Abe Yuichiro , Maeda Kenichiro , Inage Fujio , Ito Yoichi M. , Iwasaki Norimasa , Sudo Hideki
Published: July 2019

Adolescent idiopathic scoliosis is the most ordinary pediatric spinal disease that causes a three-dimensional deformity. Early detection of this potentially progressive deformity is considered crucial. The purpose of the present study was to report the potential for accurately diagnosis of adolescent idiopathic scoliosis using a newly developed, automated, noninvasive asymmetry-recognition system for the surface of the human back using a three-dimensional depth sensor. We included 170 subjects with suspected adolescent idiopathic scoliosis in this study. Outcomes measured included patient demographics, Cobbe angles from radiographic measurements, and asymmetry indexes. The coefficient of correlation between the asymmetry index and the Cobb angle was 0.85. For the prediction of scoliosis >10°, the area under the curve was 0.98, sensitivity was 0.97, specificity was 0.93, positive predictive value was 0.99, negative predictive value was 0.72, accuracy was 0.97, positive likelihood ratio was 13.55, and negative likelihood ratio was 0.04. The posterior test probability for the positive screen >10° was 98.9% if the asymmetry index was >1.268, three times in a row. This novel system automatically evaluated the back asymmetry. Therefore, this study demonstrates the outstanding discriminative ability of this newly developed system for deciding whether an examinee should undergo additional radiography to define scoliosis. This system can be used as an alternative to the forward bend test and scoliometer measurement in clinics. Future studies should seek to confirm these findings in a larger group and involve mass school scoliosis screening programs within the context of a multicenter trial.
Arbuscular Mycorrhizal Fungi Trigger Transcriptional Expression of Flavonoid and Chlorogenic Acid Biosynthetic Pathways Genes in Tomato against Tomato Mosaic Virus
Authors: Aseel Dalia G. , Rashad Younes M. , Hammad Saad M.
Published: July 2019

Tomato mosaic disease, caused by Tomato Mosaic Virus (ToMV), is one of the most destructive diseases which results in serious crop losses. Research investigations dealing with the biocontrol activity of arbuscular mycorrhizal fungi (AMF) against this viral disease are limited. In this study, the biocontrol activity of AMF on tomato plants infected with ToMV was evaluated in the greenhouse. In addition, their impacts on the transcriptional expression levels of thirteen genes controlling the phenylpropanoid, flavonoid and chlorogenic acid biosynthetic pathways were also investigated using quantitative real-time PCR. Transcriptional expressions of the majority of the studied genes were up-regulated by mycorrhizal colonization in the presence of ToMV, particularly PAL1 and HQT, suggesting their pathogen-dependent inducing effect. Under greenhouse conditions, a significant reduction in the disease severity and incidence, as well as the viral accumulation level was observed as a response to the mycorrhizal colonization of the infected plants. Moreover, the evaluated growth parameters, photosynthetic pigments, and flavonoid content were significantly enhanced by AMF colonization. The obtained results demonstrated the protective role of AMF in triggering the plant immunity against ToMV in a pathogen-dependent manner. Beside their protective and growth-promotion activities, AMF are characterized by low-cost and environment-friendly properties which support their possible use for control of tomato mosaic disease.
Chemical insights into bioinks for 3D printing
Authors: Valot Laurine , Martinez Jean , Mehdi Ahmad , Subra Gilles
Published: July 2019

Dedicated chemical strategies are required to form hydrogel networks from bioink components, allowing cell survival during 3D bioprinting processes.
Synthesis of amphiphilic, Janus diblock hyperbranched copolyamides and their self-assembly in water
Authors: Ohta Yoshihiro , Abe Yuji , Hoka Kenta , Baba Eisuke , Lee Yu-Ping , Dai Chi-An , Yokozawa Tsutomu
Published: July 2019

An amphiphilic, Janus diblock hyperbranched copolyamide was synthesized by the condensation reaction, and the morphologies of aggregates in water were changed from spherical to dendritic-like structures via cylindrical-like structures in response to increasing temperature.
Development and validation of a qNMR method for analyses of legal and illegal formulations of glyphosate
Authors: Crocoli Luana C. , Ortiz Rafael S. , Moura Sidnei
Published: July 2019

Glyphosate is the highest-selling pesticide in Brazil.
Ba3B10O17F2·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B–O/F anionic arrangement
Authors: Li Yahui , Yu Hongwei , Han Guopeng , Li Hao , Yang Zhihua , Pan Shilie
Published: July 2019

The first mixed alkali/alkaline-earth metal fluorooxoborate Ba3B10O17F2·0.1KF with a unique double-layered B–O/F anionic framework was successfully synthesized and systemically characterized.
Demulsification-induced fast solidification: a novel strategy for the preparation of polymer films
Authors: Wang Dan , Ge Xingshi , Nie Heran , Yao Zhanhai , Zhang Jianfu
Published: July 2019

A novel demulsification-induced fast solidification strategy is demonstrated for prepared functional films employing electrochemical depositionviaparameter adjustment.
High mass loading and high-density flower-like NiCo2O4 nanosheets on Ni foam for superior capacitance
Authors: Tong Zhixiang , Ji Yajun , Tian Qizhi , Ouyang Weimin
Published: July 2019

We report a simple route for high-density flower-like NiCo2O4 nanosheets with ultrahigh mass loading of 9.2 mg cm−2 on nickel foam to achieve superior capacitance.
Three thymine/adenine binding modes of the ruthenium complex Λ-[Ru(TAP)2(dppz)]2+ to the G-quadruplex forming sequence d(TAGGGTT) shown by X-ray crystallography
Authors: McQuaid Kane , Hall James P. , Baumgaertner Lena , Cardin David J. , Cardin Christine J.
Published: July 2019

Λ-[Ru(TAP)2(dppz)]2+ was crystallised with the G-quadruplex-forming heptamer d(TAGGGTT).
Chiral bifunctional bisphosphine enabled enantioselective tandem Michael addition of tryptamine-derived oxindoles to ynones
Authors: Cong Tiantian , Wang Huamin , Li Xiuzheng , Wu Hai-Hong , Zhang Junliang
Published: July 2019

A chiral phosphine-catalyzed tandem Michael addition of tryptamine-derived oxindoles to ynones was developed to synthesize spiro[pyrrolidine-3,3′-oxindole] in good yields, good to excellent enantio- and diastereoselectivities.
Inactivation of myostatin by photo-oxygenation using catalyst-functionalized peptides
Authors: Okamoto Hideyuki , Taniguchi Atsuhiko , Usami Shoya , Taguchi Akihiro , Takayama Kentaro , Hayashi Yoshio
Published: July 2019

A myostatin-binding peptide which is functionalized by equipped with on/off switchable photo-oxygenation catalyst drastically inactivates myostatin, leading to a new therapeutic strategy for amyotrophic diseases.
Artificial β-propeller protein-based hydrolases
Authors: Clarke David E. , Noguchi Hiroki , Gryspeerdt Jean-Louis A. G. , De Feyter Steven , Voet Arnout R. D.
Published: July 2019

We investigated symmetrical β-propeller protein scaffolds as artificial hydrolases and discovered their catalytic mechanism to be centred around a threonine–histidine dyad.
Fused rings with N-oxide and –NH2: good combination for high density and low sensitivity energetic materials
Authors: Hu Lu , Yin Ping , Imler Gregory H. , Parrish Damon A. , Gao Haixiang , Shreeve Jean’ne M.
Published: July 2019

Energetic materials with N-oxide and amino groups suggest a promising alternative for the design of high-energy materials with low sensitivity.
Highlights from Faraday Discussion: Artificial Photosynthesis, Cambridge, UK, March 2019
Authors: Wakerley David , Lamaison Sarah , Caputo Christine A.
Published: July 2019

This Faraday Discussion was held on March 25–27th, 2019 at Murray Edwards College, Cambridge, UK and was attended by 160 delegates from over 20 countries. In this conference report, the topics of discussion will be outlined with a brief description of the papers presented and a summary of the conference events.
Selective growth of zinc blende, wurtzite and hybrid SiC nanowires via a simple chemical vapor deposition route
Authors: He Jingbo , Sun Bo , Sun Yong , Wang Chengxin
Published: July 2019

3C-SiC, 2H-SiC and their hybrid nanowires were synthesized in a controllable manner via changing CH4 flow rates. It is found that higher CH4 supply facilitates the wurtzite phase growth, while the other phases formed when decreasing the flow rate.
InAs/AlGaAs quantum dots grown by a novel molecular beam epitaxy multistep design for intermediate band solar cells: physical insight into the structure, composition, strain and optical properties
Authors: Taurino Antonietta , Catalano Massimo , Kim Moon J. , Tasco Vittorianna , Tarantini Iolena , Passaseo Adriana , Cretì Arianna , Lomascolo Mauro
Published: July 2019

Structural, chemical and strain assessment of In-based quantum dots grown by a peculiar multistep MBE process, for application in intermediate band solar cells (IBSCs).
Designing crystalline, flexible covalent metal–organic networks through controlled ligand deprotection
Authors: Roy Mrittika , Lonardo Alessandra A. , Pham Duyen N. K. , Kreider-Mueller Ava , Golen James A. , Manke David R.
Published: July 2019

Our lab has developed a synthetic approach to control the growth of crystalline covalent metal–organic networks through a base-mediated deprotection of the organic linkers.
Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines
Authors: Fan Shuxiang , Kiyota Yasuhiro , Iijima Kodai , Ryo Suho , Kawamoto Tadashi , Le Gal Yann , Lorcy Dominique , Mori Takehiko
Published: July 2019

The title acceptors form charge-transfer complexes with mixed stacks, whose transistors are affected by the S–S interaction between the acceptors.
DFT study on the effect of proximal residues on the Mycobacterium tuberculosis catalase-peroxidase (katG) heme compound I intermediate and its bonding interaction with isoniazid
Authors: Reyes Yves Ira A. , Franco Francisco C.
Published: July 2019

In M. tb. katG heme CpdI intermediate, an electron transfer from the π-orbital of the residue, Trp321, to the a2u-orbital of porphyrin ring, results in a radical character for Trp321, resulting in a stronger H-bonding interaction with INH.
Electric field influence on the helical structure of peptides: insights from DFT/PCM computations
Authors: Ilieva Sonia , Cheshmedzhieva Diana , Dudev Todor
Published: July 2019

The switching of the electric field with a particular directionality could be used for the healing of misfolded proteins.
Ammonolysis as an important loss process of acetaldehyde in the troposphere: energetics and kinetics of water and formic acid catalyzed reactions
Authors: Sarkar Saptarshi , Oram Binod Kumar , Bandyopadhyay Biman
Published: July 2019

The reaction of ammonia with acetaldehyde as a potential source of 1,1-aminoethanol in the troposphere has been investigated by electronic structure and chemical kinetics calculations.
Fluorescence quenching by photoinduced electron transfer between 7-methoxycoumarin and guanine base facilitated by hydrogen bonds: an in silico study
Authors: Thongyod Wutthinan , Buranachai Chittanon , Pengpan Teparksorn , Punwong Chutintorn
Published: July 2019

A detailed molecular investigation of the role of H-bonding in fluorescence quenching by photo-induced electron transfer between 7-methoxycoumarin and guanine.
Quantum chemistry on quantum computers: quantum simulations of the time evolution of wave functions under theS2operator and determination of the spin quantum numberS
Authors: Sugisaki Kenji , Nakazawa Shigeaki , Toyota Kazuo , Sato Kazunobu , Shiomi Daisuke , Takui Takeji
Published: July 2019

A quantum circuit to simulate time evolution of wave functions under anS2operator is provided, and integrated it to the quantum phase estimation circuit to calculate the spin quantum numberSof arbitrary wave functions on quantum computers.
Investigation on photocatalytic mechanism of graphitic SiC (g-SiC)/MoS2 van der Waals heterostructured photocatalysts for overall water splitting
Authors: Gao Xu , Shen Yanqing , Ma Yanyan , Wu Shengyao , Zhou Zhongxiang
Published: July 2019

Two-dimensional MoS2-based heterostructures have been given great attention due to their excellent properties.
Computational insight into hydrogen persulfide and a new additive model for chemical and biological simulations
Authors: Orabi Esam A. , Peslherbe Gilles H.
Published: July 2019

From high-level quantum chemistry calculations of H2S2molecular complexes to the development of a hydrogen persulfide model for chemical and biological simulations.
CO2 insertion into epoxides using cesium salts as catalysts at ambient pressure
Authors: Suleman Suleman , Younus Hussein A. , Ahmad Nazir , Khattak Zafar A. K. , Ullah Habib , Chaemchuen Somboon , Verpoort Francis
Published: July 2019

Cesium salts (Cs2CO3, CsCl, and CsNO3) were used for the coupling of CO2 and epoxides.
Highly selective CO removal by sorption enhanced Boudouard reaction for hydrogen production
Authors: Rout Kumar R. , Gil María V. , Chen De
Published: July 2019

Development of an effective technology for the purification of a hydrogen rich stream to achieve a CO concentration below 10 ppm, suitable for low temperature fuel cell applications.
Two new derivatives of scandium borohydride, MSc(BH4)4, M = Rb, Cs, preparedviaa one-pot solvent-mediated method
Authors: Starobrat Agnieszka , Jaroń Tomasz , Grochala Wojciech
Published: July 2019

New derivatives of scandium borohydride have been prepared in a pure form using a facile synthetic method and physicochemically characterized.
All-zinc coordinated nickel-complexes as molecular mimics for NiZn catalyst surfaces, a density functional theory study
Authors: Hornung Julius , Muhr Maximilian , Gemel Christian , Fischer Roland A.
Published: July 2019

A prospective connection between TM/E (TM = transition metal; E = Al, Ga, Zn) complexes and clusters with the solid-state intermetallic TM/E compounds is presented with respect to the industrially relevant catalytic semihydrogenation of acetylene.
The status of ω-3 PUFAs influence chronic unpredicted mild stress-induced metabolic side effects in rats through INSIG/SREBP pathway
Authors: Tang Mimi , Floyd Silva , Cai Hualin , Zhang Mengqi , Yang Rui , Dang Ruili
Published: July 2019

Metabolic disturbances, including lipid metabolism, bone metabolism, and glycometabolism, are common in depression.
Organic selenium derived from chelation of soybean peptide-selenium and its functional properties in vitro and in vivo
Authors: Ye Qianwen , Wu Xiaoping , Zhang Xinyuan , Wang Shaoyun
Published: July 2019

The preparation and characterization of a soybean protein isolate peptide-Se chelate with remarkably antioxidant activity in vitro and in vivo.
Alginate oligosaccharide (AOS) improves immuno-metabolic systems by inhibiting STOML2 overexpression in high-fat-diet-induced obese zebrafish
Authors: Tran Van Cuong , Cho Se-Young , Kwon Joseph , Kim Duwoon
Published: July 2019

AOS improves immuno-metabolism systems in high-fat-died-induced obese zebrafish by regulating STOML2.
Base-free conversion of glycerol to methyl lactate using a multifunctional catalytic system consisting of Au–Pd nanoparticles on carbon nanotubes and Sn-MCM-41-XS
Authors: Tang Zhenchen , Boer Dina G. , Syariati Ali , Enache Mihaela , Rudolf Petra , Heeres Hero J. , Pescarmona Paolo P.
Published: July 2019

Base-free, multifunctional heterogenous catalytic systems for the highly efficient conversion of glycerol into methyl lactate.
Photostability and long-term preservation of a colloidal semiconductor-based single photon emitter in polymeric photonic structures
Authors: Au Thi Huong , Buil Stéphanie , Quélin Xavier , Hermier Jean-Pierre , Lai Ngoc Diep
Published: July 2019

By using a protective polymer matrix, the single photon emission of a single quantum dot becomes perfectly stable. This also opens an excellent accessibility to realisation of photonic quantum devices.
Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material
Authors: Thaltiri Vikranth , Chavva Kurumurthy , Kumar B. Sathish , Panda Pradeepta K.
Published: July 2019

1-Methyl-2,3,4,5-tetranitropyrrole is the first pyrrole based stable and insensitive high energy density material at par or slightly better than RDX.
One-pot sol–gel synthesis of a phosphated TiO2 catalyst for conversion of monosaccharide, disaccharides, and polysaccharides to 5-hydroxymethylfurfural
Authors: Rao Kasanneni Tirumala Venkateswara , Souzanchi Sadra , Yuan Zhongshun , Xu Chunbao (Charles)
Published: July 2019

Catalytic conversion of biomass or biomass-derived carbohydrates into 5-hydroxymethylfurfural (HMF) is an important reaction for the synthesis of bio-based polymers, fuels, and other industrially useful products.
A comparison study between V-SBA-15 and V-KIT-6 catalysts for selective oxidation of diphenylmethane
Authors: Santhanaraj D. , Suresh C. , Selvamani A. , Shanthi K.
Published: July 2019

Vanadium incorporated mesoporous SBA-15 and KIT-6 catalysts were prepared by a direct hydrothermal method under mild acidic reaction conditions.
Construction of a ratiometric phosphorescent assay with long-lived carbon quantum dots and inorganic nanoparticles for its application in environmental and biological systems
Authors: Wang Fengyi , Peng Qianqian , Hu Jing , Hu Xuan , Peng Huaqiao , Li Lin , Xiao Dan , Zheng Baozhan , Du Juan
Published: July 2019

An effective ratiometric phosphorescence assay for Hg2+ detection is established based on carbon quantum dots and inorganic nanoparticles (CDs–CaTiO3:Pr3+@SiO2).
Development of an endoplasmic reticulum-targeting fluorescent probe for the imaging of polarity in living cells and tissues
Authors: Song Wenhui , Dong Baoli , Lu Yaru , Kong Xiuqi , Mehmood Abdul Hadi , Lin Weiying
Published: July 2019

Cell polarity is one of the important parameters of the biological microenvironment, and controls the synthesis of functional proteins.
Understanding and improving photoelectrochemical performance of Bi2O3/Bi2S3 composite
Authors: Kim Ji Hyeon , Lim Taewaen , Park Joon Yong , Ma Ahyeon , Jung Haeun , Kim Ha Young , Cho Sung Ki , Yoon Hana , Nam Ki Min
Published: July 2019

The simple and fast ultrasonic-assisted synthesis of high-performance, low-interfacial-resistance Bi2O3/Bi2S3 composite semiconductors is demonstrated.
Selenium & tellurium chemistry at the beginning of the 3rd millennium: a celebration of ICCST
Authors: Lippolis Vito , Santi Claudio
Published: July 2019

Vito Lippolis and Claudio Santi introduce theNew Journal of Chemistrythemed collection on selenium & tellurium chemistry at the beginning of the 3rd millennium: a celebration of ICCST.
High-throughput screening and classification of layered di-metal chalcogenides
Authors: Wei Jinchen , Wang Chao , Zhang Tao , Dai Chen-Min , Chen Shiyou
Published: July 2019

450 layered di-metal chalcogenides are identified and may be exfoliated into novel 2D materials, including 142 semiconductors and 83 magnetic crystals.
Multimodality imaging of naturally active melanin nanoparticles targeting somatostatin receptor subtype 2 in human small-cell lung cancer
Authors: Xia Lei , Guo Xiaoyi , Liu Teli , Xu Xiaoxia , Jiang Jinquan , Wang Feng , Cheng Zhen , Zhu Hua , Yang Zhi
Published: July 2019

Naturally active melanin nanoparticles (124I, Mn) OCT-PEG-MNP for multimodal imaging of human small-cell lung cancer.
Acyloxyimide derivatives as efficient promoters of polyolefin C–H functionalization: application in the melt grafting of maleic anhydride onto polyethylene
Authors: Rakotonirina Mamy Daniel , Baron Marc , Siri Didier , Gaudel-Siri Anouk , Quinebeche Sébastien , Flat Jean-Jacques , Gigmes Didier , Cassagnau Philippe , Beyou Emmanuel , Guillaneuf Yohann
Published: July 2019

Acyloxyimides as a new H-abstracting agent have been developed for the radical grafting of maleic anhydride (MA) onto polyethylene in the melt state.
Copper-catalyzed 1,3-aminoazidation of arylcyclopropanes: a facile access to 1,3-diamine derivatives
Authors: Wang Lihong , Wang Xiaomin , Zhang Ge , Yang Shengbiao , Li Yan , Zhang Qian
Published: July 2019

Copper-catalyzed 1,3-aminoazidation of arylcyclopropanes with N-fluorobenzenesulfonimide (NFSI) and trimethylsilyl azide (TMSN3) has been developed, providing various 1,3-diamine derivatives in moderate to good yields under mild conditions.
Testing density scaling in nanopore-confinement for hydrogen-bonded liquid dipropylene glycol
Authors: Chat Katarzyna , Szklarz Grzegorz , Adrjanowicz Karolina
Published: July 2019

We have carried out dielectric relaxation studies for DPG under high-pressure conditions and confined in nanopores to check if the concept of the density scaling is able to provide a consistent picture of the viscous liquid dynamics.
Theoretical and experimental studies of an oseltamivir–triazole-based thermoresponsive organogel
Authors: Kumar Sumit , Wu Lidong , Sharma Neha , Ayushee Ayushee , Kaushik Kumar , Grishina Maria , Chhikara Bhupendra S. , Poonam Poonam , Potemkin Vladimir , Rathi Brijesh
Published: July 2019

Low-molecular weight organic gelators have been of significant interest in recent years because of their interesting properties and potential applications in sensing technology, biomedicine and drug delivery.
Construction of LiMn2O4 microcubes and spheres via the control of the (104) crystal planes of MnCO3 for high rate Li-ions batteries
Authors: Gao Yanshen , Wang Xinlu , Yu Wensheng , Liu Guixia , Dong Xiangting , Wang Jinxian
Published: July 2019

LiMn2O4 cathode materials with different morphologies were produced as a result of the addition of ethanol that interacts with the MnCO3 (104) crystal planes.
Nucleophile-intercepted Beckmann fragmentation reactions
Authors: Touchette Samuel J. , Dunkley Evan M. , Lowder Leah L. , Wu Jimmy
Published: July 2019

We describe the first examples of nucleophile-intercepted Beckmann fragmentations of indoline oximes.
Two dimensional diffusion-controlled triplet–triplet annihilation kinetics
Authors: Gschwend Grégoire C. , Kazmierczak Morgan , Olaya Astrid J. , Brevet Pierre-François , Girault Hubert H.
Published: July 2019

We show with time-resolved second harmonic generation and molecular mechanics simulations that the kinetics of a two-dimensional triplet–triplet annihilation reaction at the liquid–liquid interface is affected by molecular crowding.
A low-cost and dendrite-free rechargeable aluminium-ion battery with superior performance
Authors: Pan Wending , Wang Yifei , Zhang Yingguang , Kwok Holly Yu Ho , Wu Muyan , Zhao Xiaolong , Leung Dennis Y. C.
Published: July 2019

Aqueous aluminium-ion rechargeable batteries (AAIBs) have attracted lots of attention due to their high theoretical capacity, high volumetric energy density and low price.
Carbon nanotube-based materials for lithium–sulfur batteries
Authors: Zheng Mingbo , Chi Yao , Hu Qin , Tang Hao , Jiang Xinliang , Zhang Li , Zhang Songtao , Pang Huan , Xu Qiang
Published: July 2019

Research progress in the application of carbon nanotube-based materials in lithium–sulfur batteries is summarized and evaluated.
Comprehensive analysis of yeast ESCRT-III composition in single ESCRT-III deletion mutants
Authors: Heinzle Christian , Mücke Lara , Brune Thomas , Kölling Ralf
Published: July 2019

The endosomal sorting complex required for transport (ESCRT)-III is associated with a multitude of cellular processes involving membrane remodeling and abscission. The exact composition of ESCRT-III and the contribution of individual ESCRT-III family members to these diverse functions is unclear. Most of the currently available information about ESCRT-III was obtained with tagged, largely non-functional proteins, which may not correctly reflect the in vivo situation. Here, we performed a comprehensive biochemical analysis of ESCRT-III localization and composition in yeast under purely native conditions. Most of our findings are in line with the current concepts about ESCRT-III, but some findings are unexpected and call for adjustments to the model. In particular, our data suggest that the distinction between bona fide ESCRT-III components and ESCRT-III associated proteins is not justified. We detected a single complex containing all ESCRT-III members (except of Chm7) with Did2 as its main component. The classical core components were present in equimolar amounts. Our analysis of the impact of single deletions on the composition of ESCRT-III confirmed the central role of Snf7 for ESCRT-III assembly. For the other ESCRT-III family members predictions could be made about their role in ESCRT-III assembly. Furthermore, our cell fractionation points to a role of Vps20 at the endoplasmic reticulum.