bluuebunny/crossref_metadata_2025_split huggingface dataset:
Environmental stressors, complex interactions and marine benthic communities’ responses
Authors: Carrier-Belleau Charlotte , Drolet David , McKindsey Christopher W. , Archambault Philippe 
Published: February 2021

AbstractThe increasing number and diversity of anthropogenic stressors in marine habitats have multiple negative impacts on biological systems, biodiversity and ecosystem functions. Methods to assess cumulative effects include experimental manipulations, which may identify non-linear responses (i.e. synergies, antagonisms). However, experiments designed to test these ideas are uncommon, generally focusing on single biological responses. We conducted a manipulative experiment to investigate the isolated and combined effects of warming (+ 6 °C), salinity variation (freshwater pulses or presses), and nutrient enrichment (natural or enriched) following one and three month’s exposure, on responses measured at multiple levels of biological complexity in a simple bivalve assemblage. More specifically, we determined effects on bivalve mortality, growth, shell mineralization, and energy content, as well as microphytobenthos biomass. Salinity variation and nutrient enrichment, individually and combined, caused strong impacts on some of the measured variables and their effect varied through time. In contrast, warming had no effect. Our work highlights the prevalence of antagonistic interactions, the importance of examining effects of single and multiple stressors through time, and of considering multiple responses to understand the complexity behind stressor interactions.
Interaction study of monoisoamyl dimercaptosuccinic acid with bovine serum albumin using biophysical and molecular docking approaches
Authors: Thakur Ashima , Patwa Jayant , Pant Suyash , Sharma Abha , Flora S. J. S. 
Published: February 2021

AbstractMonoisoamyl 2,3-dimercaptosuccinic acid (MiADMSA), a lipophilic chelator has been evaluated for its potential use as an antidote in arsenic poisoning. The pharmacokinetics and pharmacodynamics properties of a drug could be understood via study its mechanism of interaction with bovine serum albumin protein (BSA). Therefore, the interaction between MiADMSA with BSA was investigated using various spectroscopic techniques and computational methods. Linear quenching of BSA intrinsic fluorescence intensity with the increasing concentration of MiADMSA was observed in the fluorescence study. Furthermore, synchronous results revealed that MiADMSA slightly changed the conformation of BSA. The binding constant value of the BSA-MiADMSA complex was found 1.60 × 104 M−1 at 298 K. The value of thermodynamic parameters ΔG, ΔH, and ΔS described that the process is spontaneous, endothermic, and hydrophobic forces are involved in the interaction of MiADMSA with BSA. Competitive site marker experiments showed that MiADMSA binds to site-II of BSA. Conformational changes of BSA with the interaction of MiADMSA were apparent by CD, UV–Visible, FT-IR, and 3D fluorescence spectroscopy. To strengthen the experimental findings we have also performed a theoretical study on the BSA-MiADMSA complex. Two sites were identified with docking score of − 6.642 kcal/mol at site IIa and − 3.80 kcal/mol for site IIb via molecular docking study. Molecular dynamics simulation study inferred the stability of the BSA-MiADMSA complex which was analyzed in a long simulation run. The experimental and computational studies have shown the effective binding of MiADMSA with BSA which is essential for the transportation and elimination of a drug from the body.
Characterization of the nuclear and cytosolic transcriptomes in human brain tissue reveals new insights into the subcellular distribution of RNA transcripts
Authors: Zaghlool Ammar , Niazi Adnan , Björklund Åsa K. , Westholm Jakub Orzechowski , Ameur Adam , Feuk Lars 
Published: February 2021

AbstractTranscriptome analysis has mainly relied on analyzing RNA sequencing data from whole cells, overlooking the impact of subcellular RNA localization and its influence on our understanding of gene function, and interpretation of gene expression signatures in cells. Here, we separated cytosolic and nuclear RNA from human fetal and adult brain samples and performed a comprehensive analysis of cytosolic and nuclear transcriptomes. There are significant differences in RNA expression for protein-coding and lncRNA genes between cytosol and nucleus. We show that transcripts encoding the nuclear-encoded mitochondrial proteins are significantly enriched in the cytosol compared to the rest of protein-coding genes. Differential expression analysis between fetal and adult frontal cortex show that results obtained from the cytosolic RNA differ from results using nuclear RNA both at the level of transcript types and the number of differentially expressed genes. Our data provide a resource for the subcellular localization of thousands of RNA transcripts in the human brain and highlight differences in using the cytosolic or the nuclear transcriptomes for expression analysis.
Neutron Bragg-edge transmission imaging for microstructure and residual strain in induction hardened gears
Authors: Su Yuhua , Oikawa Kenichi , Shinohara Takenao , Kai Tetsuya , Horino Takashi , Idohara Osamu , Misaka Yoshitaka , Tomota Yo 
Published: February 2021

AbstractA time-of-flight Bragg-edge neutron transmission imaging was used to investigate the microstructure and strain distributions in a gear hardened by a newly developed two-step induction-heating method: precursor (Sample 1) and final product (Sample 2). The edge-position and edge-broadening were determined and mapped with high spatial resolution, which enabled us to confirm the two-dimensional distributions of the microstructure and residual strain. A deep hardened layer was made for Sample 1 in which martensite was formed on the entire teeth and the outer peripheral portion of the gear body. Sample 2 was subjected to double induction-hardening, where a tempered martensite was formed as the thermal refined microstructure between a fine-grained martensite at the tooth surface and a ferrite-pearlite microstructure at the core. The relationship between edge-broadening and the Vickers hardness described by a linear equation was employed to derive the elastic residual strain. The residual strain map for Sample 2 revealed that a steep compressive strain was introduced into the fine-grained martensite at the tooth surface by the super rapid induction-heating and quenching process. The reversal of tension was speculated to occur below 2 mm from the tooth tip, and the strain was almost zero in the core region.
Reduction of the molecular hamiltonian matrix using quantum community detection
Authors: Mniszewski Susan M. , Dub Pavel A. , Tretiak Sergei , Anisimov Petr M. , Zhang Yu , Negre Christian F. A. 
Published: February 2021

AbstractQuantum chemistry is interested in calculating ground and excited states of molecular systems by solving the electronic Schrödinger equation. The exact numerical solution of this equation, frequently represented as an eigenvalue problem, remains unfeasible for most molecules and requires approximate methods. In this paper we introduce the use of Quantum Community Detection performed using the D-Wave quantum annealer to reduce the molecular Hamiltonian matrix in Slater determinant basis without chemical knowledge. Given a molecule represented by a matrix of Slater determinants, the connectivity between Slater determinants (as off-diagonal elements) is viewed as a graph adjacency matrix for determining multiple communities based on modularity maximization. A gauge metric based on perturbation theory is used to determine the lowest energy cluster. This cluster or sub-matrix of Slater determinants is used to calculate approximate ground state and excited state energies within chemical accuracy. The details of this method are described along with demonstrating its performance across multiple molecules of interest and bond dissociation cases. These examples provide proof-of-principle results for approximate solution of the electronic structure problem using quantum computing. This approach is general and shows potential to reduce the computational complexity of post-Hartree–Fock methods as future advances in quantum hardware become available.
Melody complexity of infants’ cry and non-cry vocalisations increases across the first six months
Authors: Wermke Kathleen , Robb Michael P. , Schluter Philip J. 
Published: February 2021

AbstractIn early infancy, melody provides the most salient prosodic element for language acquisition and there is huge evidence for infants’ precocious aptitudes for musical and speech melody perception. Yet, a lack of knowledge remains with respect to melody patterns of infants’ vocalisations. In a search for developmental regularities of cry and non-cry vocalisations and for building blocks of prosody (intonation) over the first 6 months of life, more than 67,500 melodies (fundamental frequency contours) of 277 healthy infants from monolingual German families were quantitatively analysed. Based on objective criteria, vocalisations with well-identifiable melodies were grouped into those exhibiting a simple (single-arc) or complex (multiple-arc) melody pattern. Longitudinal analysis using fractional polynomial multi-level mixed effects logistic regression models were applied to these patterns. A significant age (but not sex) dependent developmental pattern towards more complexity was demonstrated in both vocalisation types over the observation period. The theoretical concept of melody development (MD-Model) contends that melody complexification is an important building block on the path towards language. Recognition of this developmental process will considerably improve not only our understanding of early preparatory processes for language acquisition, but most importantly also allow for the creation of clinically robust risk markers for developmental language disorders.
Chromatic intervention and biocompatibility assay for biosurfactant derived from Balanites aegyptiaca (L.) Del
Authors: Panchariya Vishal , Bhati Vishal , Madhyastha Harishkumar , Madhyastha Radha , Prasad Jagdish , Sharma Priyal , Sharma Paras , Harish  , Saini Mahesh Kumar , Rajput Vishnu D. , Nakajima Yuichi , Kothari S. L. , Gour Vinod Singh 
Published: February 2021

AbstractExtraction of biosurfactants from plants is advantageous than from microbes. The properties and robustness of biosurfactant derived from the mesocarp of Balanites aegyptiaca have been reported. However, the dark brown property of biosurfactant and lack of knowledge of its biocompatibility limits its scope. In the present work, the decolorization protocol for this biosurfactant was optimized using hydrogen peroxide. The hemolytic potential and biocompatibility based on cell toxicity and proliferation were also investigated. This study is the first report on the decolorization and toxicity assay of this biosurfactant. For decolorization of biosurfactant, 34 full factorial design was used, and the data were subjected to ANOVA. Results indicate that 1.5% of hydrogen peroxide can decolorize the biosurfactant most efficiently at 40 °C in 70 min at pH 7. Mitochondrial reductase (MTT) and reactive oxygen species (ROS) assays on M5S mouse skin fibroblast cells revealed that decolorized biosurfactant up to 50 µg/mL for 6 h had no significant toxic effect. Hemolysis assay showed ~ 2.5% hemolysis of human RBCs, indicating the nontoxic effect of this biosurfactant. The present work established a decolorization protocol making the biosurfactant chromatically acceptable. Biocompatibility assays confirm its safer use as observed by experiments on M5S skin fibroblast cells under in vitro conditions.
Association between fluoroquinolone resistance and MRSA genotype in Alexandria, Egypt
Authors: Alseqely Mustafa , Newton-Foot Mae , Khalil Amal , El-Nakeeb Mostafa , Whitelaw Andrew , Abouelfetouh Alaa 
Published: February 2021

AbstractAntimicrobial stewardship isn’t strictly observed in most Egyptian hospitals, raising antibiotic resistance. Epidemiology of Egyptian MRSA isolates, or associations with resistance to other antibiotics remain largely unknown. We identified MRSA genotypes in Alexandria Main University Hospital (AMUH) and investigated rates of moxifloxacin resistance, an alternative MRSA treatment, among different genotypes. Antibiotic susceptibility of 72 MRSA clinical isolates collected in 2015 from AMUH was determined by disc diffusion and broth microdilution. spa- and Staphylococcal Cassette Chromosome mec (SCCmec) typing were performed; with multi-locus sequence typing conducted on isolates representing major genotypes. Resistance to moxifloxacin, levofloxacin and ciprofloxacin were 69%, 78% and 96%, respectively. spa type t037 (57%) was commonest, followed by t127 (12.5%), t267 (8%) and t688 (6%). SCCmec III predominated (57%), all of these were moxifloxacin resistant and 97.6% t037 (ST241). SCCmec IV, IV E and V represented 15%, 7% and 11% of the isolates, respectively, 79% of these were moxifloxacin susceptible and of different spa types. t127 (ST-1) was associated with SCCmec V in 56% of the isolates, mostly moxifloxacin susceptible. Moxifloxacin resistance was high, most resistant isolates belonged to t037 and SCCmec III, suggesting local dissemination and antibiotic pressure. We recommend caution in treating MRSA infections with moxifloxacin.
The effect of fertilizing soils degraded by the metallurgical industry on the content of elements in Lactuca sativa L.
Authors: Kicińska Alicja , Wikar Justyna 
Published: February 2021

AbstractThe aim of the study was to determine the content of macroelements (Ca, K, P, S, Mg) and microelements (Fe, Cr, Ni, Mn, Zn, Pb, Zn, Ti) in the leaves of Lactuca sativa grown in soils contaminated by the mining and metallurgical industry. The plants were cultivated using four fertilization variants: (a) unfertilized soil, (b) mix of straight fertilizers, (c) multinutrient fertilizer and (d) organic fertilizer, namely granular cattle manure. The study also involved an analysis of metal accumulation degree in the edible parts of lettuce by means of calculating a bioaccumulation index—transfer factor (TF). The analysis of the impact of fertilization on the content of the elements in the edible parts of fertilized versus unfertilized lettuce demonstrated that phytoavailability of the metals was most effectively limited by the multinutrient fertilizer and the mix of straight fertilizers. The organic fertilizer proved to be the least effective. The highest TF values (> 0.1) were recorded for macroelements, which denotes their intense and moderate accumulation. Poor bioaccumulation was observed for Cr, Mn, Ni and Zn (0.01 ≤ TF < 0.1), whereas in the case of Fe, Pb and Ti—trace bioaccumulation or no bioaccumulation was found (TF ≤ 0.01).
Real-world data of fulvestrant as first-line treatment of postmenopausal women with estrogen receptor-positive metastatic breast cancer
Authors: Blancas I. , Olier C. , Conde V. , Bayo J. L. , Herrero C. , Zarcos-Pedrinaci I. , Carabantes F. , Baena-Cañada J. M. , Cruz J. , Ruiz-Borrego M. 
Published: February 2021

AbstractGoals of endocrine therapy for advanced breast cancer (ABC) include prolonging survival rates, maintaining the quality of life, and delaying the initiation of chemotherapy. We evaluated the effectiveness of fulvestrant as first-line in patients with estrogen receptor (ER)-positive ABC with relapse during or after adjuvant anti-estrogenic therapy in real-world settings. Retrospective, observational study involving 171 postmenopausal women with ER-positive ABC who received fulvestrant as first-line between January 2011 and May 2018 in Spanish hospitals. With a median follow-up of 31.4 months, the progression-free survival (PFS) with fulvestrant was 14.6 months. No differences were seen in the visceral metastatic (14.3 months) versus non-visceral (14.6 months) metastatic subgroup for PFS. Overall response rate and clinical benefit rate were 35.2% and 82.8%. Overall survival was 43.1 months. The duration of the clinical benefit was 19.2 months. Patients with ECOG performance status 0 at the start of treatment showed a significant greater clinical benefit rate and overall survival than with ECOG 1–2. Results in real-world settings are in concordance with randomized clinical trials. Fulvestrant continues to demonstrate clinical benefits in real-world settings and appears be well tolerated as first-line for the treatment of postmenopausal women with ER-positive ABC.
Synthesis of short-range ordered aluminosilicates at ambient conditions
Authors: Lenhardt Katharina R. , Breitzke Hergen , Buntkowsky Gerd , Reimhult Erik , Willinger Max , Rennert Thilo 
Published: February 2021

AbstractWe report here on structure-related aggregation effects of short-range ordered aluminosilicates (SROAS) that have to be considered in the development of synthesis protocols and may be relevant for the properties of SROAS in the environment. We synthesized SROAS of variable composition by neutralizing aqueous aluminium chloride with sodium orthosilicate at ambient temperature and pressure. We determined elemental composition, visualized morphology by microscopic techniques, and resolved mineral structure by solid-state29Si and27Al nuclear magnetic resonance and Fourier-transform infrared spectroscopy. Nitrogen sorption revealed substantial surface loss of Al-rich SROAS that resembled proto-imogolite formed in soils and sediments due to aggregation upon freezing. The effect was less pronounced in Si-rich SROAS, indicating a structure-dependent effect on spatial arrangement of mass at the submicron scale. Cryomilling efficiently fractured aggregates but did not change the magnitude of specific surface area. Since accessibility of surface functional groups is a prerequisite for sequestration of substances, elucidating physical and chemical processes of aggregation as a function of composition and crystallinity may improve our understanding of the reactivity of SROAS in the environment.
Collagen I triggers directional migration, invasion and matrix remodeling of stroma cells in a 3D spheroid model of endometriosis
Authors: Stejskalová Anna , Fincke Victoria , Nowak Melissa , Schmidt Yvonne , Borrmann Katrin , von Wahlde Marie-Kristin , Schäfer Sebastian D. , Kiesel Ludwig , Greve Burkhard , Götte Martin 
Published: February 2021

AbstractEndometriosis is a painful gynecological condition characterized by ectopic growth of endometrial cells. Little is known about its pathogenesis, which is partially due to a lack of suitable experimental models. Here, we use endometrial stromal (St-T1b), primary endometriotic stromal, epithelial endometriotic (12Z) and co-culture (1:1 St-T1b:12Z) spheroids to mimic the architecture of endometrium, and either collagen I or Matrigel to model ectopic locations. Stromal spheroids, but not single cells, assumed coordinated directional migration followed by matrix remodeling of collagen I on day 5 or 7, resembling ectopic lesions. While generally a higher area fold increase of spheroids occurred on collagen I compared to Matrigel, directional migration was not observed in co-culture or in 12Z cells. The fold increase in area on collagen I was significantly reduced by MMP inhibition in stromal but not 12Z cells. Inhibiting ROCK signalling responsible for actomyosin contraction increased the fold increase of area and metabolic activity compared to untreated controls on Matrigel. The number of protrusions emanating from 12Z spheroids on Matrigel was decreased by microRNA miR-200b and increased by miR-145. This study demonstrates that spheroid assay is a promising pre-clinical tool that can be used to evaluate small molecule drugs and microRNA-based therapeutics for endometriosis.
The incidence of myocardial infarction and stroke in head and neck cancer patients
Authors: Kwon Hyun-Keun , Han Kyung-Do , Cheon Yong-Il , Shin Sung-Chan , Lee Minhyung , Sung Eui-Suk , Lee Jin-Choon , Lee Byung-Joo 
Published: February 2021

AbstractVarious treatment modalities are used for head and neck cancer (HNC). This study analyzed the incidence and risks of myocardial infarction (MI) and stroke by cancer site and treatment modality in 22,737 patients newly diagnosed with HNC registered in the Korean National Health Insurance Service database in 2007–2013. An additional 68,211 patients without HNC, stroke, or MI were identified as the control group. The risks for MI (hazard ratio [HR] = 1.38, 95% confidence interval [CI] 1.24–1.53), stroke (HR = 1.48, 95% CI 1.37–1.60), and mortality (HR = 5.30, 95% CI 5.14–5.47) were significantly higher in the HNC group. Analysis by cancer site showed the risk of MI and mortality was highest in hypopharynx cancer, while the risk of stroke was highest in nasopharynx and paranasal sinus cancer. Analysis by treatment modality showed the highest risks for MI (HR = 1.88, 95% CI 1.31–2.69) and mortality (HR = 2.95, 95% CI 2.75–3.17) in HNC patients receiving chemotherapy (CT) alone, while HNC patients receiving CT with surgery had the highest risk for stroke (HR = 1.81, 95% CI 1.14–2.88). Careful attention to MI and stroke risks in HNC patients is suggested, especially those who received both CT and radiotherapy.
The association between dietary fatty acid intake and the risk of developing preeclampsia: a matched case–control study
Authors: Li Shu-na , Liu Yan-hua , Luo Ze-yan , Cui Yun-feng , Cao Yuan , Fu Wen-jun , Dou Wei-feng , Duan Dan-dan , Zhao Xian-lan , Chen Yu-ming , Lyu Quan-jun , Chen Qing-shan , Zeng Fang-fang 
Published: February 2021

AbstractThe association between dietary fat intake during pregnancy and the risk of developing preeclampsia has been examined in many epidemiological studies, but the results remain inconsistent. The aim of this study was to clarify this association in pregnant Chinese women. After conducting 1:1 matching, 440 pairs consisting of pregnant women with preeclampsia and hospital-based, healthy pregnant women matched by gestational week (± 1 week) and age (± 3 years) were recruited. A 79-item semi-quantitative food frequency questionnaire administered during face-to-face interviews was used to estimate the participants’ dietary intake of fatty acids. We found that the intakes of arachidonic acid (AA), eicosapentaenoic acid (EPA), and docosahexaenoic acid (DHA) were inversely associated with the risk of developing preeclampsia. Compared with the lowest quartile intake, the multivariate-adjusted odds ratios (95% confidence interval) of the highest quartile intake were 0.42 (0.26–0.68, p-trend < 0.001) for EPA, 0.52 (0.3–0.83, p-trend = 0.005) for DHA, and 0.41 (0.19–0.88, p-trend = 0.007) for AA. However, we did not observe any significant associations between the intake of total fatty acids, saturated fatty acids, and mono-unsaturated fatty acids and the risk of developing preeclampsia. Our results showed that the dietary intake of long-chain polyunsaturated fatty acids (i.e., EPA, DHA, and AA) may protect pregnant Chinese women against the development of preeclampsia.