bluuebunny/crossref_metadata_2025 huggingface dataset:
Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications
Authors: Singh Nidhi , Li Wenjin
Published: August 2019

Molecular dynamics simulations have emerged as a powerful tool to study biological systems at varied length and timescales. The conventional all-atom molecular dynamics simulations are being used by the wider scientific community in routine to capture the conformational dynamics and local motions. In addition, recent developments in coarse-grained models have opened the way to study the macromolecular complexes for time scales up to milliseconds. In this review, we have discussed the principle, applicability and recent development in coarse-grained models for biological systems. The potential of coarse-grained simulation has been reviewed through state-of-the-art examples of protein folding and structure prediction, self-assembly of complexes, membrane systems and carbohydrates fiber models. The multiscale simulation approaches have also been discussed in the context of their emerging role in unravelling hierarchical level information of biosystems. We conclude this review with the future scope of coarse-grained simulations as a constantly evolving tool to capture the dynamics of biosystems.
Calcium Application Enhances Drought Stress Tolerance in Sugar Beet and Promotes Plant Biomass and Beetroot Sucrose Concentration
Authors: Hosseini Seyed Abdollah , Réthoré Elise , Pluchon Sylvain , Ali Nusrat , Billiot Bastien , Yvin Jean-Claude
Published: August 2019

Numerous studies have demonstrated the potential of sugar beet to lose the final sugar yield under water limiting regime. Ample evidences have revealed the important role of mineral nutrition in increasing plant tolerance to abiotic stresses. Despite the vital role of calcium (Ca2+) in plant growth and development, as well as in stress responses as an intracellular messenger, its role in alleviating drought stress in sugar beet has been rarely addressed. Here, an attempt was undertaken to investigate whether, and to what extent, foliar application of Ca2+ confers drought stress tolerance in sugar beet plants exposed to drought stress. To achieve this goal, sugar beet plants, which were grown in a high throughput phenotyping platform, were sprayed with Ca2+ and submitted to drought stress. The results showed that foliar application of Ca2+ increased the level of magnesium and silicon in the leaves, promoted plant growth, height, and leaf coverage area as well as chlorophyll level. Ca2+, in turn, increased the carbohydrate levels in leaves under drought condition and regulated transcriptionally the genes involved in sucrose transport (BvSUC3 and BvTST3). Subsequently, Ca2+ enhanced the root biomass and simultaneously led to induction of root (BvSUC3 and BvTST1) sucrose transporters which eventually supported the loading of more sucrose into beetroot under drought stress. Metabolite analysis revealed that the beneficial effect of Ca2+ in tolerance to drought induced-oxidative stress is most likely mediated by higher glutathione pools, increased levels of free polyamine putrescine (Put), and lower levels of amino acid gamma-aminobutyric acid (GABA). Taken together, this work demonstrates that foliar application of Ca2+ is a promising fertilization strategy to improve mineral nutrition efficiency, sugar metabolism, redox state, and thus, drought stress tolerance.
Ovarian Expression of Adipokines in Polycystic Ovary Syndrome: A Role for Chemerin, Omentin, and Apelin in Follicular Growth Arrest and Ovulatory Dysfunction?
Authors: Bongrani Alice , Mellouk Namya , Rame Christelle , Cornuau Marion , Guérif Fabrice , Froment Pascal , Dupont Joëlle
Published: August 2019

Adipokines are a potential link between reproduction and energy metabolism and could partly explain some infertilities related to some pathophysiology, such as polycystic ovary syndrome (PCOS). However, adipokines were predominantly assessed in blood samples, while very little is known concerning their variations in follicular fluid (FF) and ovarian granulosa cells (GCs) of PCOS women. Thus, the objectives of our study were to investigate adiponectin, chemerin, resistin, visfatin, omentin, and apelin ovarian expression in PCOS women in comparison with controls and women with only a polycystic ovary morphology. In total, 78 women undergoing an in vitro fertilization procedure were divided into three groups: 23 PCOS women, 28 women presenting only ≥12 follicles per ovary (ECHO group), and 27 control women. Each group almost equally included normal weight and obese women. Follicular fluid (FF) concentration and granulosa cells (GCs) mRNA expression of adipokines and their receptors were assessed by ELISA and RT-qPCR, respectively. Omentin levels in FF and GC were higher in PCOS than in ECHO and control women, while apelin expression was increased in both PCOS and ECHO groups. FF chemerin concentration was predominant in normal-weight PCOS women compared to BMI (Body Mass Index)-matched ECHO and control women, while GC mRNA levels were higher in the obese PCOS group than in the ECHO one. Compared to PCOS, ECHO women had increased FF adiponectin concentrations and lower plasma AMH levels. The FF concentration of all adipokines was higher in obese subjects except for adiponectin, predominant in normal-weight women. In conclusion, women with PCOS expressed higher GC chemerin and omentin, whereas the ECHO group presented higher levels of FF adiponectin and apelin and lower plasma AMH and LH concentrations. Chemerin, omentin, and apelin expression was differently regulated in women with PCOS, suggesting their possible role in follicular growth arrest and ovulatory dysfunction characterizing PCOS pathogenesis.
Formation Mechanism of Ion Channel in Channelrhodopsin-2: Molecular Dynamics Simulation and Steering Molecular Dynamics Simulations
Authors: Yang Ting , Zhang Wenying , Cheng Jie , Nie Yanhong , Xin Qi , Yuan Shuai , Dou Yusheng
Published: August 2019

Channelrhodopsin-2 (ChR2) is a light-activated and non-selective cationic channel protein that can be easily expressed in specific neurons to control neuronal activity by light. Although ChR2 has been extensively used as an optogenetic tool in neuroscience research, the molecular mechanism of cation channel formation following retinal photoisomerization in ChR2 is not well understood. In this paper, studies of the closed and opened state ChR2 structures are presented. The formation of the cationic channel is elucidated in atomic detail using molecular dynamics simulations on the all-trans-retinal (ChR2-trans) configuration of ChR2 and its isomerization products, 13-cis-retinal (ChR2-cis) configuration, respectively. Photoisomerization of the retinal-chromophore causes the destruction of interactions among the crucial residues (e.g., E90, E82, N258, and R268) around the channel and the extended H-bond network mediated by numerous water molecules, which opens the pore. Steering molecular dynamics (SMD) simulations show that the electrostatic interactions at the binding sites in intracellular gate (ICG) and central gate (CG) can influence the transmembrane transport of Na+ in ChR2-cis obviously. Potential of mean force (PMF) constructed by SMD and umbrella sampling also found the existing energy wells at these two binding sites during the transportation of Na+. These wells partly hinder the penetration of Na+ into cytoplasm through the ion channel. This investigation provides a theoretical insight on the formation mechanism of ion channels and the mechanism of ion permeation.
Mitochondria-Targeting Antioxidant Provides Cardioprotection through Regulation of Cytosolic and Mitochondrial Zn2+ Levels with Re-Distribution of Zn2+-Transporters in Aged Rat Cardiomyocytes
Authors: Olgar Yusuf , Tuncay Erkan , Turan Belma
Published: August 2019

Aging is an important risk factor for cardiac dysfunction. Heart during aging exhibits a depressed mechanical activity, at least, through mitochondria-originated increases in ROS. Previously, we also have shown a close relationship between increased ROS and cellular intracellular free Zn2+ ([Zn2+]i) in cardiomyocytes under pathological conditions as well as the contribution of some re-expressed levels of Zn2+-transporters for redistribution of [Zn2+]i among suborganelles. Therefore, we first examined the cellular (total) [Zn2+] and then determined the protein expression levels of Zn2+-transporters in freshly isolated ventricular cardiomyocytes from 24-month rat heart compared to those of 6-month rats. The [Zn2+]i in the aged-cardiomyocytes was increased, at most, due to increased ZIP7 and ZnT8 with decreased levels of ZIP8 and ZnT7. To examine redistribution of the cellular [Zn2+]i among suborganelles, such as Sarco/endoplasmic reticulum, S(E)R, and mitochondria ([Zn2+]SER and [Zn2+]Mit), a cell model (with galactose) to mimic the aged-cell in rat ventricular cell line H9c2 was used and demonstrated that there were significant increases in [Zn2+]Mit with decreases in [Zn2+]SER. In addition, the re-distribution of these Zn2+-transporters were markedly changed in mitochondria (increases in ZnT7 and ZnT8 with no changes in ZIP7 and ZIP8) and S(E)R (increase in ZIP7 and decrease in ZnT7 with no changes in both ZIP8 and ZnT8) both of them isolated from freshly isolated ventricular cardiomyocytes from aged-rats. Furthermore, we demonstrated that cellular levels of ROS, both total and mitochondrial lysine acetylation (K-Acetylation), and protein-thiol oxidation were significantly high in aged-cardiomyocytes from 24-month old rats. Using a mitochondrial-targeting antioxidant, MitoTEMPO (1 µM, 5-h incubation), we provided an important data associated with the role of mitochondrial-ROS production in the [Zn2+]i-dyshomeostasis of the ventricular cardiomyocytes from 24-month old rats. Overall, our present data, for the first time, demonstrated that a direct mitochondria-targeting antioxidant treatment can be a new therapeutic strategy during aging in the heart through a well-controlled [Zn2+] distribution among cytosol and suborganelles with altered expression levels of the Zn2+-transporters.
Cholesterol Acceptors Regulate the Lipidome of Macrophage Foam Cells
Authors: Paul Antoni , Lydic Todd A. , Hogan Ryan , Goo Young-Hwa
Published: August 2019

Arterial foam cells are central players of atherogenesis. Cholesterol acceptors, apolipoprotein A-I (apoA-I) and high-density lipoprotein (HDL), take up cholesterol and phospholipids effluxed from foam cells into the circulation. Due to the high abundance of cholesterol in foam cells, most previous studies focused on apoA-I/HDL-mediated free cholesterol (FC) transport. However, recent lipidomics of human atherosclerotic plaques also identified that oxidized sterols (oxysterols) and non-sterol lipid species accumulate as atherogenesis progresses. While it is known that these lipids regulate expression of pro-inflammatory genes linked to plaque instability, how cholesterol acceptors impact the foam cell lipidome, particularly oxysterols and non-sterol lipids, remains unexplored. Using lipidomics analyses, we found cholesterol acceptors remodel foam cell lipidomes. Lipid subclass analyses revealed various oxysterols, sphingomyelins, and ceramides, species uniquely enriched in human plaques were significantly reduced by cholesterol acceptors, especially by apoA-I. These results indicate that the function of lipid-poor apoA-I is not limited to the efflux of cholesterol and phospholipids but suggest that apoA-I serves as a major regulator of the foam cell lipidome and might play an important role in reducing multiple lipid species involved in the pathogenesis of atherosclerosis.
Revisiting the Role of LXRs in PUFA Metabolism and Phospholipid Homeostasis
Authors: Jalil Antoine , Bourgeois Thibaut , Ménégaut Louise , Lagrost Laurent , Thomas Charles , Masson David
Published: August 2019

Liver X receptors (LXRs) play a pivotal role in fatty acid (FA) metabolism. So far, the lipogenic consequences of in vivo LXR activation, as characterized by a major hepatic steatosis, has constituted a limitation to the clinical development of pharmacological LXR agonists. However, recent studies provided a different perspective. Beyond the quantitative accumulation of FA, it appears that LXRs induce qualitative changes in the FA profile and in the distribution of FAs among cellular lipid species. Thus, LXRs activate the production of polyunsaturated fatty acids (PUFAs) and their distribution into phospholipids via the control of FA desaturases, FA elongases, lysophosphatidylcholine acyltransferase (LPCAT3), and phospholipid transfer protein (PLTP). Therefore, LXRs control, in a dynamic manner, the PUFA composition and the physicochemical properties of cell membranes as well as the release of PUFA-derived lipid mediators. Recent studies suggest that modulation of PUFA and phospholipid metabolism by LXRs are involved in the control of lipogenesis and lipoprotein secretion by the liver. In myeloid cells, the interplay between LXR and PUFA metabolism affects the inflammatory response. Revisiting the complex role of LXRs in FA metabolism may open new opportunities for the development of LXR modulators in the field of cardiometabolic diseases.
Notes on the Nest Architecture and Colony Composition in Winter of the Yellow-Legged Asian Hornet, Vespa velutina Lepeletier 1836 (Hym.: Vespidae), in Its Introduced Habitat in Galicia (NW Spain)
Authors: Feás Sánchez Xesús , Charles Rebecca Jane
Published: August 2019

Fifteen years ago, at least one multimated female yellow-legged Asian hornet (Vespa velutina Lepeletier 1836) arrived in France, giving rise to a pan-European invasion, altering the environment, affecting ecosystem processes, and impacting society. During winter, V. velutina nests (n = 3) were collected in Galicia and data on internal and external aspects of the nests and the colony as a whole were collected. The whole colony population (WCPN; adult insects, larvae, and pupae in percentages) was as follows: nest A: n = 176 (49%, 3%, and 48%); nest B: n = 1979 (52%, 36%, and 12%); and nest C: n = 662 (5%, 27%, and 8%). The adult insect population (IAPN; males, workers, and gynes in percentages) was as follows: nest A: n = 87 (11%, 66%, and 23%); nest B: n = 1021 (3%, 62%, and 35%); and nest C: n = 430 (20%, 73%, and 7%). As a small number of queens is sufficient for a population to develop, it is necessary to avoid continued spread by deactivating and removing all nests, even those detected in winter. This practice can be of greatest importance in border areas where V. velutina is expanding into new territory.
Detection of Leishmania and Trypanosoma DNA in Field-Caught Sand Flies from Endemic and Non-Endemic Areas of Leishmaniasis in Southern Thailand
Authors: Srisuton Pimpilad , Phumee Atchara , Sunantaraporn Sakone , Boonserm Rungfar , Sor-suwan Sriwatapron , Brownell Narisa , Pengsakul Theerakamol , Siriyasatien Padet
Published: August 2019

Phlebotomine sand flies are tiny, hairy, blood-sucking nematoceran insects that feed on a wide range of hosts. They are known as a principal vector of parasites, responsible for human and animal leishmaniasis worldwide. In Thailand, human autochthonous leishmaniasis and trypanosomiasis have been reported. However, information on the vectors for Leishmania and Trypanosoma in the country is still limited. Therefore, this study aims to detect Leishmania and Trypanosoma DNA in field-caught sand flies from endemic areas (Songkhla and Phatthalung Provinces) and non-endemic area (Chumphon Province) of leishmaniasis. A total of 439 sand flies (220 females and 219 males) were collected. Head and genitalia dissection of female sandflies were done for morphology identification, and the remaining parts of those sand flies were then used for the detection of Leishmania and Trypanosoma parasites. The DNA was extracted from individual female sand flies. Polymerase chain reaction (PCR) anneal, specific to the ITS1 and SSU rRNA gene regions, was used to detect Leishmania and Trypanosoma DNA, respectively. The positive PCR products were cloned and sequenced. The results showed that the female sand fly species in this study consisted of Sergentomyia khawi (35.9%); Se. anodontis (23.6%); Phlebotomus betisi (18.6%); Ph. kiangsuensis (9.5%); Ph. asperulus (6.4%); Se. barraudi (2.3%); 0.9% of each Se. indica, Ph. stantoni, and Ph. major major; and 0.5% of each Se. sylvatica and Ph. mascomai. The PCR and sequence analysis were able to detect Leishmania and Trypanosoma DNA in sand fly samples, which were identified as L. martiniquensis, 1/220 (0.45%) in Se. khawi, 3/220 (1.36%) of T. noyesi in Se. anodontis, and Ph. asperulus. Fourteen (6.36%) of the unidentified trypanosome species in Se. khawi, Se. indica, Se. anodontis, Ph. asperulus, and Ph. betisi were found in all of the areas of this study. Interestingly, we found a 1/220 (0.45%) co-infection sample of L. martiniquensis and Trypanosoma in Se. khawi from Songkhla Province. These data indicate that several species of sand flies might be potential vectors of Leishmania and Trypanosoma parasites in southern Thailand. However, more extensive study for potential vectors using a larger number of sand flies should be conducted to prove whether these sand flies can be natural vectors of leishmaniasis and trypanosomiasis in both humans and animals. In addition, our study could be useful for the future study of infection prevention, including effective vector control for leishmaniasis and trypanosomiasis in Thailand.
How May Location Analytics Be Used to Enhance the Reliability of the Smart Grid?
Authors: Sultan Vivian , Hilton Brian
Published: August 2019

The United States (U.S.) electric infrastructure urgently needs renovation, as highlighted by recent major outages in California, New York, Texas, and Florida. The media has discussed the aging power infrastructure, and the Public Utilities Commission called for a comprehensive review of the causes of recent power outages. Without optimization algorithms to account for the many operating parameters and outage scenarios, planning engineers may inadvertently choose non-optimal locations for new components such as automated distribution switches, thereby impacting circuit reliability. This study aims to address this problem by answering the research question: “How may location analytics should be used to enhance the reliability of the smart grid?” To address this problem, Insights for ArcGIS was used to build worksheets using a geographic information systems (GIS)-based approach to resolve the challenges faced by utilities to reduce power outage frequency. Three case studies demonstrate various risk scenarios wherein a utility can prepare for the unexpected. An artefact in Insights for ArcGIS was created using a design science research methodology. This research proposes a solution to facilitate storm/disaster planning and vegetation management, identify optimal grid locations needing inspection or work, and detect regions where new distribution switches may provide benefits, considering the many operating parameters and outage scenarios. The artefact demonstrates that GIS can play an integral role in resolving this problem.
Outpatient Readmission in Rheumatology: A Machine Learning Predictive Model of Patient’s Return to the Clinic
Authors: Madrid-García Alfredo , Font-Urgelles Judit , Vega-Barbas Mario , León-Mateos Leticia , Freites Dalifer Dayanira , Lajas Cristina Jesus , Pato Esperanza , Jover Juan Angel , Fernández-Gutiérrez Benjamín , Abásolo-Alcazar Lydia , Rodríguez-Rodríguez Luis
Published: August 2019

Our objective is to develop and validate a predictive model based on the random forest algorithm to estimate the readmission risk to an outpatient rheumatology clinic after discharge. We included patients from the Hospital Clínico San Carlos rheumatology outpatient clinic, from 1 April 2007 to 30 November 2016, and followed-up until 30 November 2017. Only readmissions between 2 and 12 months after the discharge were analyzed. Discharge episodes were chronologically split into training, validation, and test datasets. Clinical and demographic variables (diagnoses, treatments, quality of life (QoL), and comorbidities) were used as predictors. Models were developed in the training dataset, using a grid search approach, and performance was compared using the area under the receiver operating characteristic curve (AUC-ROC). A total of 18,662 discharge episodes were analyzed, out of which 2528 (13.5%) were followed by outpatient readmissions. Overall, 38,059 models were developed. AUC-ROC, sensitivity, and specificity of the reduced final model were 0.653, 0.385, and 0.794, respectively. The most important variables were related to follow-up duration, being prescribed with disease-modifying anti-rheumatic drugs and corticosteroids, being diagnosed with chronic polyarthritis, occupation, and QoL. We have developed a predictive model for outpatient readmission in a rheumatology setting. Identification of patients with higher risk can optimize the allocation of healthcare resources.
The SRC Inhibitor Dasatinib Induces Stem Cell-Like Properties in Head and Neck Cancer Cells that are Effectively Counteracted by the Mithralog EC-8042
Authors: Hermida-Prado Francisco , Villaronga M. Ángeles , Granda-Díaz Rocío , del-Río-Ibisate Nagore , Santos Laura , Hermosilla Maria Ana , Oro Patricia , Allonca Eva , Agorreta Jackeline , Garmendia Irati , Tornín Juan , Perez-Escuredo Jhudit , Fuente Rocío , Montuenga Luis M. , Morís Francisco , Rodrigo Juan P. , Rodríguez René , García-Pedrero Juana M.
Published: August 2019

The frequent dysregulation of SRC family kinases (SFK) in multiple cancers prompted various inhibitors to be actively tested in preclinical and clinical trials. Disappointingly, dasatinib and saracatinib failed to demonstrate monotherapeutic efficacy in patients with head and neck squamous cell carcinomas (HNSCC). Deeper functional and mechanistic knowledge of the actions of these drugs is therefore needed to improve clinical outcome and to develop more efficient combinational strategies. Even though the SFK inhibitors dasatinib and saracatinib robustly blocked cell migration and invasion in HNSCC cell lines, this study unveils undesirable stem cell-promoting functions that could explain the lack of clinical efficacy in HNSCC patients. These deleterious effects were targeted by the mithramycin analog EC-8042 that efficiently eliminated cancer stem cells (CSC)-enriched tumorsphere cultures as well as tumor bulk cells and demonstrated potent antitumor activity in vivo. Furthermore, combination treatment of dasatinib with EC-8042 provided favorable complementary anti-proliferative, anti-invasive, and anti-CSC functions without any noticeable adverse interactions of both agents. These findings strongly support combinational strategies with EC-8042 for clinical testing in HNSCC patients. These data may have implications on ongoing dasatinib-based trials.
Role of MYC-miR-29-B7-H3 in Medulloblastoma Growth and Angiogenesis
Authors: Purvis Ian J. , Avilala Janardhan , Guda Maheedhara R. , Venkataraman Sujatha , Vibhakar Rajeev , Tsung Andrew J. , Velpula Kiran K. , Asuthkar Swapna
Published: August 2019

Medulloblastoma (MB) is the most common embryonal neuroepithelial tumor, with poor patient outcomes and secondary complications. In this study, we investigated the role of the B7 family of immune checkpoint homolog 3 (B7-H3) expression in MB angiogenesis. B7-H3, a co-inhibitory immune checkpoint, is highly expressed and is associated with lower overall survival in MYC+ MB’s. Evidence for a direct transcriptional role of MYC on the B7-H3 gene promoter was confirmed by MYC inhibition and anti-MYC antibody ChIP analysis. Interestingly, MYC inhibition not only downregulated the B7-H3 protein expression, but also rescued miR-29 expression, thus indicating a triangular regulatory relationship between MYC, miR-29, and B7-H3 in Group 3 MB cells. From RNA seq and IPAD assay, we observed a negative feedback loop between miR-29 and MYC that may control B7-H3 expression levels in MB cells. Our studies show that B7-H3 expression levels play a crucial role in promoting MB angiogenesis which can be inhibited by miR-29 overexpression via miR-29-mediated B7-H3 downregulation. The tumor suppressor role of miR-29 is mediated by the activation of JAK/STAT1 signaling that further plays a role in MYC-B7-H3 downregulation in MB. This study highlights B7-H3 as a viable target in MB angiogenesis, and that the expression of miR-29 can inhibit B7-H3 and sensitize MB cells to treatment with MYC-inhibiting drugs.
Automated Laser Ablation of Inhomogeneous Metal Oxide Films to Manufacture Uniform Surface Temperature Profile Electrical Heating Elements
Authors: Ingham Joshua , Lewis John , Cheneler David
Published: August 2019

This paper presents automated laser ablation strategies to improve the temperature distribution across the surface of inhomogeneous Ni-Fe-Cr-NiO electrical heating elements during joule heating. A number of iterative closed-loop laser control algorithms have been developed and analyzed in order to assess their impact on the efficacy of the heating element, in terms of homogeneous temperature control, and on the implications for automated fabrication of inhomogeneous metal oxide films. Analysis shows that the use of the leading method, i.e., use of a temperature-dependent variable-power approach with memory of previous processes, showed a 68% reduction in the standard deviation of the temperature distribution of the heating element and a greater uniformity of temperature profile as compared to existing manual methods of processing.
Special Issue: Application of Photoactive Nanomaterials in Degradation of Pollutants
Authors: Comparelli Roberto
Published: August 2019

Photoactive nanomaterials are receiving increasing attention due to their potential application to light-driven degradation of water and gas-phase pollutants. However, to exploit the strong potential of photoactive materials and access their properties require a fine tuning of their size/shape dependent chemical-physical properties and on the ability to integrate them in photo-reactors or to deposit them on large surfaces. Therefore, the synthetic approach, as well as post-synthesis manipulation could strongly affect the final photocatalytic properties of nanomaterials. The potential application of photoactive nanomaterials in the environmental field includes the abatement of organic pollutant in water, water disinfection, and abatement of gas-phase pollutants in outdoor and indoor applications.
Exceptional Strengthening of Biodegradable Mg-Zn-Ca Alloys through High Pressure Torsion and Subsequent Heat Treatment
Authors: Horky Jelena , Ghaffar Abdul , Werbach Katharina , Mingler Bernhard , Pogatscher Stefan , Schäublin Robin , Setman Daria , Uggowitzer Peter J. , Löffler Jörg F. , Zehetbauer Michael J.
Published: August 2019

In this study, two biodegradable Mg-Zn-Ca alloys with alloy content of less than 1 wt % were strengthened via high pressure torsion (HPT). A subsequent heat treatment at temperatures of around 0.45 Tm led to an additional, sometimes even larger increase in both hardness and tensile strength. A hardness of more than 110 HV and tensile strength of more than 300 MPa were achieved in Mg-0.2Zn-0.5Ca by this procedure. Microstructural analyses were conducted by scanning and transmission electron microscopy (SEM and TEM, respectively) and atom probe tomography (APT) to reveal the origin of this strength increase. They indicated a grain size in the sub-micron range, Ca-rich precipitates, and segregation of the alloying elements at the grain boundaries after HPT-processing. While the grain size and segregation remained mostly unchanged during the heat treatment, the size and density of the precipitates increased slightly. However, estimates with an Orowan-type equation showed that precipitation hardening cannot account for the strength increase observed. Instead, the high concentration of vacancies after HPT-processing is thought to lead to the formation of vacancy agglomerates and dislocation loops in the basal plane, where they represent particularly strong obstacles to dislocation movement, thus, accounting for the considerable strength increase observed. This idea is substantiated by theoretical considerations and quenching experiments, which also show an increase in hardness when the same heat treatment is applied.
Tensile Deformation and Fracture Behaviors of a Nickel-Based Superalloy via In Situ Digital Image Correlation and Synchrotron Radiation X-ray Tomography
Authors: Zhu Qiang , Chen Gang , Wang Chuanjie , Qin Heyong , Zhang Peng
Published: August 2019

Nickel-based superalloys have become key materials for turbine disks and other aerospace components due to their excellent mechanical properties at high temperatures. Mechanical properties of nickel-based superalloys are closely related to their microstructures. Various heat treatment processes were conducted to obtain the desired microstructures of a nickel-based superalloy in this study. The effect of the initial microstructures on the tensile deformation and fracture behaviors was investigated via in situ digital image correlation (DIC) and synchrotron radiation X-ray tomography (SRXT). The results showed that the size and volume fraction of γ″ and γ′ phases increased with the aging time. The yield strength and the ultimate tensile strength increased due to the precipitation strengthening at the expense of ductility. The surface strain analysis showed severely inhomogeneous deformation. The local strains at the edge of specimens were corresponded to higher void densities. The fracture of carbides occurred owing to the stress concentration, which was caused by the dislocation accumulation. The fracture mode was dimple coalescence ductile fracture.
Thickness-Dependence Electrical Characterization of the One-Dimensional van der Waals TaSe3 Crystal
Authors: Kim Bum Jun , Jeong Byung Joo , Oh Seungbae , Chae Sudong , Choi Kyung Hwan , Nasir Tuqeer , Lee Sang Hoon , Lim Hyung Kyu , Choi Ik Jun , Hong Min-Ki , Yu Hak Ki , Lee Jae-Hyun , Choi Jae-Young
Published: August 2019

Needle-like single crystalline wires of TaSe3 were massively synthesized using the chemical vapor transport method. Since the wedged-shaped single TaSe3 molecular chains were stacked along the b-axis by weak van der Waals interactions, a few layers of TaSe3 flakes could be easily isolated using a typical mechanical exfoliation method. The exfoliated TaSe3 flakes had an anisotropic planar structure, and the number of layers could be controlled by a repeated peeling process until a monolayer of TaSe3 nanoribbon was obtained. Through atomic force and scanning Kelvin probe microscope analyses, it was found that the variation in the work function with the thickness of the TaSe3 flakes was due to the interlayer screening effect. We believe that our results will not only help to add a novel quasi-1D block for nanoelectronics devices based on 2D van der Waals heterostructures, but also provide crucial information for designing proper contacts in device architecture.
Structure and Properties of Fe–Al–Si Alloy Prepared by Mechanical Alloying
Authors: Novák Pavel , Vanka Tomáš , Nová Kateřina , Stoulil Jan , Průša Filip , Kopeček Jaromír , Haušild Petr , Laufek František
Published: August 2019

Fe–Al–Si alloys have been previously reported as an interesting alternative to common high-temperature materials. This work aimed to improve the properties of FeAl20Si20 alloy (in wt.%) by the application of powder metallurgy process consisting of ultrahigh-energy mechanical alloying and spark plasma sintering. The material consisted of Fe3Si, FeSi, and Fe3Al2Si3 phases. It was found that the alloy exhibits an anomalous behaviour of yield strength and ultimate compressive strength around 500 °C, reaching approximately 1100 and 1500 MPa, respectively. The results also demonstrated exceptional wear resistance, oxidation resistance, and corrosion resistance in water-based electrolytes. The tested manufacturing process enabled the fracture toughness to be increased ca. 10 times compared to the cast alloy of the same composition. Due to its unique properties, the material could be applicable in the automotive industry for the manufacture of exhaust valves, for wear parts, and probably as a material for selected aggressive chemical environments.
Pulmonary Hypertension in COPD: A Case Study and Review of the Literature
Authors: Cassady Steven J. , Reed Robert M.
Published: August 2019

Pulmonary hypertension (PH) is a frequently encountered complication of chronic obstructive pulmonary disease (COPD) and is associated with worsened clinical symptoms and prognosis. The prevalence of PH-COPD is not concretely established as classification criteria vary historically, but the presence of severe disease out of proportion to underlying COPD is relatively rare. Right heart catheterization, the gold standard in diagnosis of PH, is infrequently performed in COPD, and the overlap in the clinical symptoms of PH and COPD presents diagnostic challenges. Proven treatments are limited. Trials exploring the use of vasodilator therapy in this patient group generally demonstrate improvements in hemodynamics accompanied by worsening gas exchange without clearly demonstrated improvements in clinically meaningful outcomes. In-depth workup of underlying pulmonary hypertension and use of pulmonary vasodilator medications may be appropriate on an individual basis. We present a case study and a review and discussion of the pertinent literature on this topic.
Disclosure of HIV Status to Children in Sub-Saharan Africa: A Systematic Review
Authors: Doat Abdul-Razak , Negarandeh Reza , Hasanpour Marzieh
Published: August 2019

Background and objectives: This study aimed to assess the level of HIV disclosure to children in sub-Saharan Africa as it relates to prevalence of disclosure, barriers, merits and demerits, timing of disclosure, and factors that promote parents and caregivers’ decisions to disclose the information. Materials and Methods: A systematic literature search was performed using the following online databases: PubMed, Google Scholar, Web of Science, Scopus, and Embase, to obtain relevant articles on HIV disclosure to children in sub-Saharan Africa. The following search terms were used: “HIV” AND “Disclosure” AND “Sub-Saharan Africa” AND “Children”. Results: A total of 18 articles were included in this systematic review. The studies on HIV status disclosure to children in sub-Saharan Africa included a total of 1343 HIV-positive children and 1879 caregiver/child or healthcare worker-child dyads, from the following countries: Ethiopia, South Africa, Ghana, Kenya, Cote d’Ivoire, Burundi, Cameroon, Democratic Republic of Congo, Uganda, Burkina Faso, and Zambia. The prevalence of HIV disclosure ranged from as low as 9% to 72%. Age was a major factor associated with disclosure. Conclusions: HIV status disclosure to children is quite low in sub-Saharan Africa. This is a result of multiple factors such as parents’/caregivers’ fear of the child disclosing status to others, a lack of knowledge on how the disclosure should be made, and the assertion that the children are young and cannot withstand the psychological impact of diagnosis.
Calculation of Oxygen Diffusion Coefficients in Oxide Films Formed on Low-Temperature Annealed Zr Alloys and Their Related Corrosion Behavior
Authors: Zhang Lina , Chen Liang-Yu , Zhao Cuihua , Liu Yujing , Zhang Lai-Chang
Published: August 2019

The growth of oxide film, which results from the inward oxygen diffusion from a corrosive environment, is a critical consideration for the corrosion resistance of zirconium alloys. This work calculates the oxygen diffusion coefficients in the oxide films formed on zirconium alloys annealed at 400~500 °C and investigates the related corrosion behavior. The annealed samples have a close size for the second-phase particles but a distinctive hardness, indicating the difference in substrate conditions. The weight gain of all samples highly follows parabolic laws. The weight gain of the sample annealed at 400 °C has the fastest increase rate at the very beginning of the corrosion test, but its oxide film has the slowest growth rate as the corrosion proceeds. By contrast, the sample annealed at 500 °C shows the lowest weight gain but the highest corrosion rate constant. Such a corrosion behavior is attributed to the amount of defects existing in the oxide film formed on the annealed samples; fewer defects would provide a lower fraction of short-circuit diffusion in total diffusion, resulting in a lower diffusion coefficient of oxygen in the oxide film, thereby producing better corrosion resistance. This is consistent with the calculated diffusion coefficients of oxygen in the oxide films: 3.252 × 10−11 cm2/s, 3.464 × 10−11 cm2/s and 3.740 × 10−11 cm2/s for the samples annealed at 400 °C, 450 °C, and 500 °C, respectively.
Spectral Grouping of Nominally Aspergillus versicolor Microbial-Collection Deposits by MALDI-TOF MS
Authors: Reeve Michael A. , Caine Thelma S. , Buddie Alan G.
Published: August 2019

Historical microbial collections often contain samples that have been deposited over extended time periods, during which accepted taxonomic classification (and also available methods for taxonomic assignment) may have changed considerably. Deposited samples can, therefore, have historical taxonomic assignments (HTAs) that may now be in need of revision, and subdivisions of previously-accepted taxa may also be possible with the aid of current methodologies. One such methodology is matrix-assisted laser-desorption and ionization time-of-flight mass spectrometry (MALDI-TOF MS). Motivated by the high discriminating power of MALDI-TOF MS coupled with the speed and low cost of the method, we have investigated the use of MALDI-TOF MS for spectral grouping of past deposits made to the Centre for Agriculture and Bioscience International (CABI) Genetic Resource Collection under the HTA Aspergillus versicolor, a common ascomycete fungus frequently associated with soil and plant material, food spoilage, and damp indoor environments. Despite their common HTA, the 40 deposits analyzed in this study fall into six clear spectral-linkage groups (containing nine, four, four, four, four, and two members, respectively), along with a group of ten spectrally-unique samples. This study demonstrates the clear resolving power of MALDI-TOF MS when applied to samples deposited in historical microbial collections.
Extraction Optimization, Structural Characterization, and Antioxidant Activities of Polysaccharides from Cassia Seed (Cassia obtusifolia)
Authors: Wu Ding-Tao , Liu Wen , Han Qiao-Hong , Wang Ping , Xiang Xian-Rong , Ding Ye , Zhao Li , Zhang Qing , Li Su-Qing , Qin Wen
Published: August 2019

In order to explore Cassia seed polysaccharides (CSPs) as natural antioxidants for application in the functional-food industry, microwave-assisted extraction (MAE) was optimized for the extraction of CSPs by using a response surface methodology. Furthermore, the chemical structures and antioxidant activities of CSPs extracted by MAE and hot water extraction were investigated and compared. The maximum extraction yield of CSPs extracted by MAE (8.02 ± 0.19%) was obtained at the optimized extraction parameters as follows: microwave power (415 W), extraction time (7.0 min), and ratio of water to raw material (51 mL/g). Additionally, the contents of the uronic acids, molecular weight, ratio of constituent monosaccharides, intrinsic viscosities, and degrees of esterification of CSPs were significantly affected by the MAE method. Moreover, CSPs exhibited remarkable 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) ABTS, 2,2-diphenyl-1-(2,4,6-trinitrophenyl) hydrazyl DPPH, nitric oxide, and hydroxyl radical scavenging activities as well as reducing power. The high antioxidant activities observed in CSPs extracted by MAE could be partially attributed to its low molecular weights and high content of unmethylated galacturonic acid. Results indicate that the MAE method could be an efficient technique for the extraction of CSPs with high antioxidant activity, and CSPs could be further explored as functional food ingredients.
Why Does the Type of Halogen Atom Matter for the Radiosensitizing Properties of 5-Halogen Substituted 4-Thio-2′-Deoxyuridines?
Authors: Spisz Paulina , Zdrowowicz Magdalena , Makurat Samanta , Kozak Witold , Skotnicki Konrad , Bobrowski Krzysztof , Rak Janusz
Published: August 2019

Radiosensitizing properties of substituted uridines are of great importance for radiotherapy. Very recently, we confirmed 5-iodo-4-thio-2′-deoxyuridine (ISdU) as an efficient agent, increasing the extent of tumor cell killing with ionizing radiation. To our surprise, a similar derivative of 4-thio-2’-deoxyuridine, 5-bromo-4-thio-2′-deoxyuridine (BrSdU), does not show radiosensitizing properties at all. In order to explain this remarkable difference, we carried out a radiolytic (stationary and pulse) and quantum chemical studies, which allowed the pathways to all radioproducts to be rationalized. In contrast to ISdU solutions, where radiolysis leads to 4-thio-2’-deoxyuridine and its dimer, no dissociative electron attachment (DEA) products were observed for BrSdU. This observation seems to explain the lack of radiosensitizing properties of BrSdU since the efficient formation of the uridine-5-yl radical, induced by electron attachment to the modified nucleoside, is suggested to be an indispensable attribute of radiosensitizing uridines. A larger activation barrier for DEA in BrSdU, as compared to ISdU, is probably responsible for the closure of DEA channel in the former system. Indeed, besides DEA, the XSdU anions may undergo competitive protonation, which makes the release of X− kinetically forbidden.
Bioactivity and Bioavailability of the Major Metabolites of Crocus sativus L. Flower
Authors: Moratalla-López Natalia , Bagur María José , Lorenzo Cándida , Martínez-Navarro M.E. , Salinas M. Rosario , Alonso Gonzalo L.
Published: August 2019

Crocus sativus L. has been cultivated throughout history to obtain its flowers, whose dried stigmas give rise to the spice known as saffron. Crocetin esters, picrocrocin, and safranal are the main metabolites of this spice, which possess a great bioactivity, although the mechanisms of action and its bioavailability are still to be solved. The rest of the flower is composed by style, tepals, and stamens that have other compounds, such as kaempferol and delphinidin, which have an important antioxidant capacity, and these can be applied in foods, phytopharmaceuticals, and cosmetics. The aim of this work was to provide an updated and critical review of the research on the main compounds of Crocus sativus L. flower, including the adequate analytical methods for their identification and quantification, with a focus on their bioactivity and bioavailability.
Artificial High Density Lipoprotein Nanoparticles in Cardiovascular Research
Authors: Kornmueller Karin , Vidakovic Ivan , Prassl Ruth
Published: August 2019

Lipoproteins are endogenous nanoparticles which are the major transporter of fats and cholesterol in the human body. They play a key role in the regulatory mechanisms of cardiovascular events. Lipoproteins can be modified and manipulated to act as drug delivery systems or nanocarriers for contrast agents. In particular, high density lipoproteins (HDL), which are the smallest class of lipoproteins, can be synthetically engineered either as nascent HDL nanodiscs or spherical HDL nanoparticles. Reconstituted HDL (rHDL) particles are formed by self-assembly of various lipids and apolipoprotein AI (apo-AI). A variety of substances including drugs, nucleic acids, signal emitting molecules, or dyes can be loaded, making them efficient nanocarriers for therapeutic applications or medical diagnostics. This review provides an overview about synthesis techniques, physicochemical properties of rHDL nanoparticles, and structural determinants for rHDL function. We discuss recent developments utilizing either apo-AI or apo-AI mimetic peptides for the design of pharmaceutical rHDL formulations. Advantages, limitations, challenges, and prospects for clinical translation are evaluated with a special focus on promising strategies for the treatment and diagnosis of atherosclerosis and cardiovascular diseases.
Multimaterial 3D Printing for Arbitrary Distribution with Nanoscale Resolution
Authors: Zhang Fengqiang , Li Changhai , Wang Zhenlong , Zhang Jia , Wang Yukui
Published: August 2019

At the core of additive manufacturing (3D printing) is the ability to rapidly print with multiple materials for arbitrary distribution with high resolution, which can remove challenges and limits of traditional assembly and enable us to make increasingly complex objects, especially exciting meta-materials. Here we demonstrate a simple and effective strategy to achieve nano-resolution printing of multiple materials for arbitrary distribution via layer-by-layer deposition on a special deposition surface. The established physical model reveals that complex distribution on a section can be achieved by vertical deformation of simple lamination of multiple materials. The deformation is controlled by a special surface of the mold and a contour-by-contour (instead of point-by-point) printing mode is revealed in the actual process. A large-scale concentric ring array with a minimum feature size below 50 nm is printed within less than two hours, verifying the capacity of high-throughput, high-resolution and rapidity of printing. The proposed printing method opens the way towards the programming of internal compositions of object (such as functional microdevices with multiple materials).
Nutritional and Bioactive Compounds in Mexican Lupin Beans Species: A Mini-Review
Authors: Ruiz-López Mario Alberto , Barrientos-Ramírez Lucia , García-López Pedro Macedonio , Valdés-Miramontes Elia Herminia , Zamora-Natera Juan Francisco , Rodríguez-Macias Ramón , Salcedo-Pérez Eduardo , Bañuelos-Pineda Jacinto , Vargas-Radillo J. Jesús
Published: August 2019

As a source of bioactive compounds, species of the genus Lupinus are interesting legumes from a nutritional point of view. Although wild species are abundant and represent a potential source of nutrients and biologically active compounds, most research has focused on domesticated and semi-domesticated species, such as Lupinus angustifolius, Lupinus albus, Lupinus luteus, and Lupinus mutabilis. Therefore, in this review, we focus on recent research conducted on the wild Lupinus species of Mexico. The nutritional content of these species is characterized (similar to those of the domesticated species), including proteins (isolates), lipids, minerals, dietary fiber, and bioactive compounds, such as oligosaccharides, flavonoids, and alkaloids.
Personalised Nutrition: Updates, Gaps and Next Steps
Authors: Biesiekierski Jessica R. , Livingstone Katherine M. , Moschonis George
Published: August 2019

Personalised nutrition approaches provide healthy eating advice tailored to the nutritional needs of the individual [...]