bluuebunny/crossref_metadata_2025 huggingface dataset:
The Association between State Policy Environments and Self-Rated Health Disparities for Sexual Minorities in the United States
Authors: Gonzales Gilbert , Ehrenfeld Jesse M.
Published: June 2018

A large body of research has documented disparities in health and access to care for lesbian, gay, and bisexual (LGB) people in the United States. Less research has examined how the level of legal protection afforded to LGB people (the state policy environment) affects health disparities for sexual minorities. This study used data on 14,687 sexual minority adults and 490,071 heterosexual adults from the 2014–2016 Behavioral Risk Factor Surveillance System to document differences in health. Unadjusted state-specific prevalence estimates and multivariable logistic regression models were used to compare poor/fair self-rated health by gender, sexual minority status, and state policy environments (comprehensive versus limited protections for LGB people). We found disparities in self-rated health between sexual minority adults and heterosexual adults in most states. On average, sexual minority men in states with limited protections and sexual minority women in states with either comprehensive or limited protections were more likely to report poor/fair self-rated health compared to their heterosexual counterparts. This study adds new findings on the association between state policy environments and self-rated health for sexual minorities and suggests differences in this relationship by gender. The associations and impacts of state-specific policies affecting LGB populations may vary by gender, as well as other intersectional identities.
Barriers to Nutrition Promotion in Private Secondary Schools in Kolkata, India: Perspectives of Parents and Teachers
Authors: Rathi Neha , Riddell Lynn , Worsley Anthony
Published: June 2018

School-based nutrition promotion is critical to the development of healthy eating habits in adolescents. Unfortunately, most Indian secondary schools do not support healthy eating among adolescents. Therefore, this study was designed to understand the perspectives of teachers and parents regarding the potential barriers to nutrition promotion in Indian secondary schools. Thirty-two teachers and 280 parents from five private English-speaking secondary schools in Kolkata, India took part in a cross-sectional survey. The paper-based survey instrument included both quantitative and qualitative items which were derived from previously published evidence. Descriptive and chi-square analyses were conducted on the quantitative data. Qualitative data were evaluated by thematic data analysis underpinned by the template analysis technique. Five main barriers to nutrition promotion emerged from the study. These included the perceived strong preference for energy-dense, nutrient-poor foods among students; lack of government canteen guidelines; limited engagement of parents, teachers, and adolescents in canteen operations; the widespread display of eye-catching food advertisements; and poor knowledge among canteen personnel with regards to healthy food preparation. These findings about the potential barriers to nutrition promotion provide useful directions for healthy school food policy implementation. Successful implementation of healthy school food policies can inculcate lifelong healthy eating habits among adolescents.
Awareness and Work-Related Factors Associated with Scrub Typhus: A Case-Control Study from South Korea
Authors: Kim Dong-Seob , Acharya Dilaram , Lee Kwan , Yoo Seok-Ju , Park Ji-Hyuk , Lim Hyun-Sul
Published: June 2018

This study aimed to examine the awareness and the work-related factors associated with scrub typhus to provide data essential for evidence-based preventive strategies. A community-based case control study was carried out in the rural areas of Gyeongsangbuk-do, South Korea. Confirmed cases of scrub typhus (n = 57) were based on laboratory tests performed by the Korean Centers for Disease Control and Prevention (KCDC), 114 matched neighborhood controls, age (±6 years), gender and area of residence in the Gyeongsangbuk-do of South Korea. These cases were contracted over the 12-month period of January to December 2015. Overall, 61.4% cases and 79.8% of the control group had heard about scrub typhus. Cases were less aware about the fact that mites are mainly found in the bushes and that long sleeves and full-length pants and boots helped prevent scrub typhus. However, more were aware of the eschar lesion as a characteristic sign of scrub typhus. Work related risk factors such as having a wetland or puddles of water surrounding the house, dry field farming and working in the livestock industry were significantly associated with the scrub typhus. Health promotion strategies, such as creating general awareness, personal protection methods and improving personal hygiene and environmental sanitation in collaboration with relevant sectors, are recommended to reduce the burden of scrub typhus. Further intervention studies on awareness and behavioral and environmental modifications are required to investigate the effectiveness of such interventions.
Which Compounds Contribute Most to Elevated Soil Pollution and the Corresponding Health Risks in Floodplains in the Headwater Areas of the Central European Watershed?
Authors: Skála Jan , Vácha Radim , Čupr Pavel
Published: June 2018

The main topic of this study is a human health risk assessment of a defined exposure scenario in the floodplain soils of the headwater areas of the central European watershed, with the aim of exploring both multivariate and regional data structures. Flood-prone areas are recognized worldwide to be susceptible to contamination and its redistribution. Contributions of various classes of toxic compounds (organochlorine pesticides (OCPs), polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs)) to human health risks were assessed in a screening risk assessment. However, due to the relative nature of our data and a high PAH dominancy over the data ensemble, reliance solely on the standard statistical processing of raw data might lead to incomplete insight into the structure of the multivariate data. Explanatory analysis of the data structure using the compositional approach was found to be beneficial to elucidating human health risk profiles and provided robust evidence that a contrast between agricultural and airborne industrial pollution controlled the whole human toxicological variation of persistent organic pollutants (POPs) in floodplain soils. These results were effectively quantified with the subcomposition of benzo(a)pyrene, DDT, and alpha-hexachlorocyclohexane (aHCH), allowing for an interpretation of structural differences in regional pollution patterns, which conferred different extents and compositions of human health risks in floodplain soils.
Fascinating Fasciclins: A Surprisingly Widespread Family of Proteins that Mediate Interactions between the Cell Exterior and the Cell Surface
Authors: Seifert Georg J.
Published: June 2018

The Fasciclin 1 (FAS1) domain is an ancient structural motif in extracellular proteins present in all kingdoms of life and particularly abundant in plants. The FAS1 domain accommodates multiple interaction surfaces, enabling it to bind different ligands. The frequently observed tandem FAS1 arrangement might both positively and negatively regulate ligand binding. Additional protein domains and post-translational modifications are partially conserved between different evolutionary clades. Human FAS1 family members are associated with multiple aspects of health and disease. At the cellular level, mammalian FAS1 proteins are implicated in extracellular matrix structure, cell to extracellular matrix and cell to cell adhesion, paracrine signaling, intracellular trafficking and endocytosis. Mammalian FAS1 proteins bind to the integrin family of receptors and to protein and carbohydrate components of the extracellular matrix. FAS1 protein encoding plant genes exert effects on cellulosic and non-cellulosic cell wall structure and cellular signaling but to establish the modes of action for any plant FAS1 protein still requires biochemical experimentation. In fungi, eubacteria and archaea, the differential presence of FAS1 proteins in closely related organisms and isolated biochemical data suggest functions in pathogenicity and symbiosis. The inter-kingdom comparison of FAS1 proteins suggests that molecular mechanisms mediating interactions between cells and their environment may have evolved at the earliest known stages of evolution.
Bacterial Toxins and Targeted Brain Therapy: New Insights from Cytotoxic Necrotizing Factor 1 (CNF1)
Authors: Tantillo Elena , Colistra Antonella , Vannini Eleonora , Cerri Chiara , Pancrazi Laura , Baroncelli Laura , Costa Mario , Caleo Matteo
Published: June 2018

Pathogenic bacteria produce toxins to promote host invasion and, therefore, their survival. The extreme potency and specificity of these toxins confer to this category of proteins an exceptionally strong potential for therapeutic exploitation. In this review, we deal with cytotoxic necrotizing factor (CNF1), a cytotoxin produced by Escherichia coli affecting fundamental cellular processes, including cytoskeletal dynamics, cell cycle progression, transcriptional regulation, cell survival and migration. First, we provide an overview of the mechanisms of action of CNF1 in target cells. Next, we focus on the potential use of CNF1 as a pharmacological treatment in central nervous system’s diseases. CNF1 appears to impact neuronal morphology, physiology, and plasticity and displays an antineoplastic activity on brain tumors. The ability to preserve neural functionality and, at the same time, to trigger senescence and death of proliferating glioma cells, makes CNF1 an encouraging new strategy for the treatment of brain tumors.
Revisiting the Role of Plant Transcription Factors in the Battle against Abiotic Stress
Authors: Khan Sardar-Ali , Li Meng-Zhan , Wang Suo-Min , Yin Hong-Ju
Published: June 2018

Owing to diverse abiotic stresses and global climate deterioration, the agricultural production worldwide is suffering serious losses. Breeding stress-resilient crops with higher quality and yield against multiple environmental stresses via application of transgenic technologies is currently the most promising approach. Deciphering molecular principles and mining stress-associate genes that govern plant responses against abiotic stresses is one of the prerequisites to develop stress-resistant crop varieties. As molecular switches in controlling stress-responsive genes expression, transcription factors (TFs) play crucial roles in regulating various abiotic stress responses. Hence, functional analysis of TFs and their interaction partners during abiotic stresses is crucial to perceive their role in diverse signaling cascades that many researchers have continued to undertake. Here, we review current developments in understanding TFs, with particular emphasis on their functions in orchestrating plant abiotic stress responses. Further, we discuss novel molecular mechanisms of their action under abiotic stress conditions. This will provide valuable information for understanding regulatory mechanisms to engineer stress-tolerant crops.
Extension of Tissue Plasminogen Activator Treatment Window by Granulocyte-Colony Stimulating Factor in a Thromboembolic Rat Model of Stroke
Authors: Dela Peña Ike C. , Yang Samuel , Shen Guofang , Fang Liang Hsiao , Solak Sara , Borlongan Cesar V.
Published: June 2018

When given beyond 4.5 h of stroke onset, tissue plasminogen activator (tPA) induces deleterious side effects in the ischemic brain, notably, hemorrhagic transformation (HT). We examined the efficacy of granulocyte-colony stimulating factor (G-CSF) in reducing delayed tPA-induced HT, cerebral infarction, and neurological deficits in a thromboembolic (TE) stroke model, and whether the effects of G-CSF were sustained for longer periods of recovery. After stroke induction, rats were given intravenous saline (control), tPA (10 mg/kg), or G-CSF (300 μg/kg) + tPA 6 h after stroke. We found that G-CSF reduced delayed tPA-associated HT by 47%, decreased infarct volumes by 33%, and improved motor and neurological deficits by 15% and 25%, respectively. It also prevented delayed tPA treatment-induced mortality by 46%. Immunohistochemistry showed 1.5- and 1.8-fold enrichment of the endothelial progenitor cell (EPC) markers CD34+ and VEGFR2 in the ischemic cortex and striatum, respectively, and 1.7- and 2.8-fold increases in the expression of the vasculogenesis marker von Willebrand factor (vWF) in the ischemic cortex and striatum, respectively, in G-CSF-treated rats compared with tPA-treated animals. Flow cytometry revealed increased mobilization of CD34+ cells in the peripheral blood of rats given G-CSF. These results corroborate the efficacy of G-CSF in enhancing the therapeutic time window of tPA for stroke treatment via EPC mobilization and enhancement of vasculogenesis.
Metabolic Dysfunction and Peroxisome Proliferator-Activated Receptors (PPAR) in Multiple Sclerosis
Authors: Ferret-Sena Véronique , Capela Carlos , Sena Armando
Published: June 2018

Multiple sclerosis (MS) is an inflammatory and neurodegenerative disease of the central nervous system (CNS) probably caused, in most cases, by the interaction of genetic and environmental factors. This review first summarizes some clinical, epidemiological and pathological characteristics of MS. Then, the involvement of biochemical pathways is discussed in the development and repair of the CNS lesions and the immune dysfunction in the disease. Finally, the potential roles of peroxisome proliferator-activated receptors (PPAR) in MS are discussed. It is suggested that metabolic mechanisms modulated by PPAR provide a window to integrate the systemic and neurological events underlying the pathogenesis of the disease. In conclusion, the reviewed data highlight molecular avenues of understanding MS that may open new targets for improved therapies and preventive strategies for the disease.
The Role of Sex in Memory Function: Considerations and Recommendations in the Context of Exercise
Authors: Loprinzi Paul D. , Frith Emily
Published: June 2018

There is evidence to suggest that biological sex plays a critical role in memory function, with sex differentially influencing memory type. In this review, we detail the current evidence evaluating sex-specific effects on various memory types. We also discuss potential mechanisms that explain these sex-specific effects, which include sex differences in neuroanatomy, neurochemical differences, biological differences, and cognitive and affect-related differences. Central to this review, we also highlight that, despite the established sex differences in memory, there is little work directly comparing whether males and females have a differential exercise-induced effect on memory function. As discussed herein, such a differential effect is plausible given the clear sex-specific effects on memory, exercise response, and molecular mediators of memory. We emphasize that future work should be carefully powered to detect sex differences. Future research should also examine these potential exercise-related sex-specific effects for various memory types and exercise intensities and modalities. This will help enhance our understanding of whether sex indeed moderates the effects of exercise and memory function, and as such, will improve our understanding of whether sex-specific, memory-enhancing interventions should be developed, implemented, and evaluated.
Patterns of Occurrence and Outcomes of Contralateral Breast Cancer: Analysis of SEER Data
Authors: Xiong Zhenchong , Yang Lin , Deng Guangzheng , Huang Xinjian , Li Xing , Xie Xinhua , Wang Jin , Shuang Zeyu , Wang Xi
Published: June 2018

Population-based estimates are lacking for the temporal trends in the contralateral breast cancer (CBC) risk for patients with breast cancer (BC). Data for BC patients diagnosed with CBC were collected from the Surveillance, Epidemiology, and End Results database. CBC incidence was calculated using the Kaplan-Meier method and the temporal trend in CBC incidence was assessed using joinpoint regression. Survival analysis was calculated using propensity scoring (PS) and multivariate Cox regression with a competing risk model. We found that 10,944 of 212,630 patients with early-stage BC were subsequently diagnosed with secondary BC in the contralateral breast. The 5-, 10-, 15-, and 20-year cumulative CBC incidences were 1.9, 4.6, 7.6, and 10.5%, respectively. Being younger (<40 years), black, hormone receptor-negative, and having undergone radiotherapy were correlated with a high risk of CBC occurrence. CBC incidence increased continuously in the first 11 years after the initial cancer diagnosis, and the upward trend slowed from years 11 to 21, and tended to decline from years 21 to 24. CBC diagnosis was significantly and negatively associated with survival. We reported population-based estimates of the CBC occurrence pattern and risk factors. Patients are at high risk of developing CBC in the first 21 years after the initial BC diagnosis.
Effect of Laser Welding Process Parameters and Filler Metals on the Weldability and the Mechanical Properties of AA7020 Aluminium Alloy
Authors: Adisa Saheed B. , Loginova Irina , Khalil Asmaa , Solonin Alexey
Published: June 2018

This research work aims at finding the optimum process parameters for the laser welding of AA7020 aluminium alloys. The use of 7xxx series alloys is limited because of weldability problems, such as hot cracking, porosity, and softening of the fusion zone despite its higher specific strength-to-weight ratio. AA7020 aluminium alloy was welded while varying the process parameters so as to obtain optimal welding efficiency. The welded samples were analysed to reveal the microstructure, defects, and mechanical properties of the welded zone. The samples were prepared from a plate of AA7020, which was hot rolled at a temperature of 470 °С to a thickness of 1 mm. The welding was carried out at an overlap of 0.25 mm, duration of 14 ms and argon shield gas flow rate of 15 L/min. Process parameters, such as peak power, welding speed, and pulse shaping, were varied. The samples were welded with Al-5Ti-B and Al-5Mg as filler metals. The welding speed, peak power, and pulse shaping have a great influence on the weldability and hot cracking susceptibility of the aluminium alloy. Al-5Ti-B improves the microstructure and ultimate tensile strength of AA7020 aluminium alloy.
Numerical Simulation of Water Quenching of Large Size Steel Forgings: Effects of Macrosegregation and Grain Size on Phase Distribution
Authors: Lyassami Mountadar , Shahriari Davood , Ben Fredj Emna , Morin Jean-Benoit , Jahazi Mohammad
Published: June 2018

In this paper, water quenching of large ingots was simulated using FORGE NxT 1.1® Finite Element code. Simulations were carried out for as-forged medium-carbon low-alloy steel. A novel method is proposed to simulate the different parts of a large size forged block with different chemical compositions and grain sizes using the multiple materials method. The effects of macrosegregation, grain size variation and cooling rate on phase distribution through the volume of the forged block were investigated. The delay in transformation kinetics, which is due to the effect of grain size variation and carbon content, was analyzed. Results show that macrosegregation and grain size variations significantly influence transformation start points and the volume fraction of phases that are present in each location of the forged ingot. The proposed prediction method was validated using high-resolution dilatometry experiments and X-ray diffraction measurements to evaluate accurately the volume fraction of martensite, bainite and the percentage of retained austenite for each condition.
Coastal Defence Integrating Wave-Energy-Based Desalination: A Case Study in Madagascar
Authors: Contestabile Pasquale , Vicinanza Diego
Published: June 2018

In arid, coastal cities, water demand is often met through large-scale desalination systems. However, the energy required to run desalination plants remains a drawback. Further, numerous low-density population areas lack not only fresh water availability, but in most of the cases electrical grid connection or any other energy source as well. The challenge, consequently, is to ensure adequate fresh water supplies at the lowest possible cost. The main objective of this work is to assess the freshwater production from a reverse osmosis desalination system powered by a wave energy converter, the Overtopping Breakwater for Wave Energy Conversion (OBREC). The desktop analysis is illustrated through a case study on the Fenoarivo Atsinanana coast, along north-eastern Madagascar. The novel aspect of the analysis method is the application of a specific numerical code calibrated using preliminary results from a two-year monitoring campaign of the first OBREC prototype in operation in Naples Harbour (Italy). Instead of dissipating the incoming wave energy, the system collects the overtopping water above the sea level and the potential energy is converted into electricity through low head turbines. Then, the flow will be driven towards the desalination system. This configuration seems like a promising opportunity for developing countries to meet their water supply needs while at the same time developing their renewable energy potential.
Data-Driven Astrochemistry: One Step Further within the Origin of Life Puzzle
Authors: Ruf Alexander , D’Hendecourt Louis L. S. , Schmitt-Kopplin Philippe
Published: June 2018

Astrochemistry, meteoritics and chemical analytics represent a manifold scientific field, including various disciplines. In this review, clarifications on astrochemistry, comet chemistry, laboratory astrophysics and meteoritic research with respect to organic and metalorganic chemistry will be given. The seemingly large number of observed astrochemical molecules necessarily requires explanations on molecular complexity and chemical evolution, which will be discussed. Special emphasis should be placed on data-driven analytical methods including ultrahigh-resolving instruments and their interplay with quantum chemical computations. These methods enable remarkable insights into the complex chemical spaces that exist in meteorites and maximize the level of information on the huge astrochemical molecular diversity. In addition, they allow one to study even yet undescribed chemistry as the one involving organomagnesium compounds in meteorites. Both targeted and non-targeted analytical strategies will be explained and may touch upon epistemological problems. In addition, implications of (metal)organic matter toward prebiotic chemistry leading to the emergence of life will be discussed. The precise description of astrochemical organic and metalorganic matter as seeds for life and their interactions within various astrophysical environments may appear essential to further study questions regarding the emergence of life on a most fundamental level that is within the molecular world and its self-organization properties.
Experimental Analysis of MOC Composite with a Waste-Expanded Polypropylene-Based Aggregate
Authors: Záleská Martina , Pavlíková Milena , Jankovský Ondřej , Lojka Michal , Pivák Adam , Pavlík Zbyšek
Published: June 2018

Polypropylene (PP) is one of the most widely produced types of plastic worldwide, but its recycling is limited. This work presents a study of the utilization of expanded polypropylene (EPP) waste in a magnesium oxychloride cement (MOC) composite usable in the building industry. MOC is formed by mixing magnesium oxide powder and a concentrated solution of magnesium chloride and is characterized by excellent bonding ability to large quantities of different types of aggregates. A developed air-cured MOC composite, where an EPP-based aggregate was used for the full replacement of natural aggregate, was investigated in terms of its basic physical, mechanical, thermal and water resistance properties. The results demonstrate that incorporation of EPP waste greatly improved the thermal insulation properties, while the mechanical resistance was reduced to an acceptable level. The developed MOC composite containing EPP waste can be considered as an alternative thermal insulation material applicable for the construction of floor or envelope construction systems.
Effect of Sigma Phase Morphology on the Degradation of Properties in a Super Duplex Stainless Steel
Authors: Hosseini Vahid A. , Karlsson Leif , Wessman Sten , Fuertes Nuria
Published: June 2018

Sigma phase is commonly considered to be the most deleterious secondary phase precipitating in duplex stainless steels, as it results in an extreme reduction of corrosion resistance and toughness. Previous studies have mainly focused on the kinetics of sigma phase precipitation and influences on properties and only a few works have studied the morphology of sigma phase and its influences on material properties. Therefore, the influence of sigma phase morphology on the degradation of corrosion resistance and mechanical properties of 2507 super duplex stainless steel (SDSS) was studied after 10 h of arc heat treatment using optical and scanning electron microscopy, electron backscattered diffraction analysis, corrosion testing, and thermodynamic calculations. A stationary arc was applied on the 2507 SDSS disc mounted on a water-cooled chamber, producing a steady-state temperature gradient covering the entire temperature range from room temperature to the melting point. Sigma phase was the major intermetallic precipitating between 630 °C and 1010 °C and its morphology changed from blocky to fine coral-shaped with decreasing aging temperature. At the same time, the average thickness of the precipitates decreased from 2.9 µm to 0.5 µm. The chemical composition of sigma was similar to that predicted by thermodynamic calculations when formed at 800–900 °C, but deviated at higher and lower temperatures. The formation of blocky sigma phase introduced local strain in the bulk of the primary austenite grains. However, the local strain was most pronounced in the secondary austenite grains next to the coral-shaped sigma phase precipitating at lower temperatures. Microstructures with blocky and coral-shaped sigma phase particles were prone to develop microscale cracks and local corrosion, respectively. Local corrosion occurred primarily in ferrite and in secondary austenite, which was predicted by thermodynamic calculations to have a low pitting resistance equivalent. To conclude, the influence of sigma phase morphology on the degradation of properties was summarized in two diagrams as functions of the level of static load and the severity of the corrosive environment.
Efficient Stereospecific Hβ2/3 NMR Assignment Strategy for Mid-Size Proteins
Authors: Born Alexandra , Henen Morkos A. , Nichols Parker , Wang Jing , Jones David N. , Vögeli Beat
Published: June 2018

We present a strategy for stereospecific NMR assignment of Hβ2 and Hβ3 protons in mid-size proteins (~150 residues). For such proteins, resonance overlap in standard experiments is severe, thereby preventing unambiguous assignment of a large fraction of β-methylenes. To alleviate this limitation, assignment experiments may be run in high static fields, where higher decoupling power is required. Three-bond Hα–Hβ J-couplings (3JHα–Hβ) are critical for stereospecific assignments of β-methylene protons, and for determining rotameric χ1 states. Therefore, we modified a pulse sequence designed to measure accurate 3JHα–Hβ couplings such that probe heating was reduced, while the decoupling performance was improved. To further increase the resolution, we applied non-uniform sampling (NUS) schemes in the indirect 1H and 13C dimensions. The approach was applied to two medium-sized proteins, odorant binding protein 22 (OBP22; 14.4 kDa) and Pin1 (18.2 kDa), at 900 MHz polarizing fields. The coupling values obtained from NUS and linear sampling were extremely well correlated. However, NUS decreased the overlap of Hβ2/3 protons, thus supplying a higher yield of extracted 3JHα-Hβ coupling values when compared with linear sampling. A similar effect could be achieved with linear prediction applied to the linearly sampled data prior to the Fourier transformation. Finally, we used 3JHα–Hβ couplings from Pin1 in combination with either conventional or exact nuclear Overhauser enhancement (eNOE) restraints to determine the stereospecific assignments of β-methylene protons. The use of eNOEs further increased the fraction of unambiguously assigned resonances when compared with procedures using conventional NOEs.
Computational Fluid Dynamics as an Engineering Tool for the Reconstruction of Hemodynamics after Carotid Artery Stenosis Operation: A Case Study
Authors: Polanczyk Andrzej , Podgorski Michal , Wozniak Tomasz , Stefanczyk Ludomir , Strzelecki Michal
Published: June 2018

Background and objectives: Brain ischemic stroke is caused by impaired or absolutely blocked blood flow into the brain regions. Despite the large number of possible origins, there is no general strategy for preventive treatment. In this paper, we aimed to predict the hemodynamics in a patient who experienced a critical stenosis operation in the carotid artery. This is a unique study where we used medical data together with the computational fluid (CFD) technique not to plan the surgery, but to predict its outcome. Materials and Methods: AngioCT data and blood perfusion of brain tissue (CT-perfusion) together with CFD technique were applied for stroke formation reconstruction in different clinical conditions. With the use of self-made semiautomatic algorithm for image processing and 3DDoctror software, 3D-vascular geometries before and after surgical intervention were reconstructed. As the paper is focused on the analysis of stroke appearance, apparent stroke was simulated as higher and lower pressure values in the cranial part due to different outcomes of the surgical intervention. This allowed to investigate the influence of spatial configuration and pressure values on blood perfusion in the analyzed circulatory system. Results: Application of CFD simulations for blood flow reconstruction for clinical conditions in the circulatory system accomplished on average 98.5% and 98.7% accuracy for CFD results compared to US-Doppler before and after surgical intervention, respectively. Meanwhile, CFD results compared to CT-perfusion indicated an average 89.7% and 92.8% accuracy before and after surgical intervention, respectively. Thus, the CFD is a reliable approach for predicting the patient hemodynamics, as it was confirmed by postoperative data. Conclusions: Our study indicated that the application of CFD simulations for blood flow reconstruction for clinical conditions in circulatory system reached 98% and 90% accuracy for US-Doppler and CT-perfusion, respectively. Therefore, the proposed method might be used as a tool for reconstruction of specific patients’ hemodynamics after operation of critical stenosis in the carotid artery. However, further studies are necessary to confirm its usefulness in clinical practice.
Benzamide-4-Sulfonamides Are Effective Human Carbonic Anhydrase I, II, VII, and IX Inhibitors
Authors: Abdoli Morteza , Bozdag Murat , Angeli Andrea , Supuran Claudiu T.
Published: June 2018

A series of benzamides incorporating 4-sulfamoyl moieties were obtained by reacting 4-sulfamoyl benzoic acid with primary and secondary amines and amino acids. These sulfonamides were investigated as inhibitors of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). The human (h) isoforms hCA II, VII, and IX were inhibited in the low nanomolar or subnanomolar ranges, whereas hCA I was slightly less sensitive to inhibition (KIs of 5.3–334 nM). The β- and γ-class CAs from pathogenic bacteria and fungi, such as Vibrio cholerae and Malassezia globosa, were inhibited in the micromolar range by the sulfonamides reported in the paper. The benzamide-4-sulfonamides are a promising class of highly effective CA inhibitors.
Highly Sensitive Label-Free Detection of Small Molecules with an Optofluidic Microbubble Resonator
Authors: Li Zihao , Zhu Chenggang , Guo Zhihe , Wang Bowen , Wu Xiang , Fei Yiyan
Published: June 2018

The detection of small molecules has increasingly attracted the attention of researchers because of its important physiological function. In this manuscript, we propose a novel optical sensor which uses an optofluidic microbubble resonator (OFMBR) for the highly sensitive detection of small molecules. This paper demonstrates the binding of the small molecule biotin to surface-immobilized streptavidin with a detection limit reduced to 0.41 pM. Furthermore, binding specificity of four additional small molecules to surface-immobilized streptavidin is shown. A label-free OFMBR-based optical sensor has great potential in small molecule detection and drug screening because of its high sensitivity, low detection limit, and minimal sample consumption.
Chemical and Mineralogical Characterization of Recycled Aggregates from Construction and Demolition Waste from Mexico City
Authors: Moreno-Pérez Emiliano , Hernández-Ávila Juan , Rangel-Martínez Yamile , Cerecedo-Sáenz Eduardo , Arenas-Flores Alberto , Reyes-Valderrama Ma. Isabel , Salinas-Rodríguez Eleazar
Published: June 2018

In this study, four samples of recycled aggregates from the construction and demolition waste of Mexico City were characterized in order to find innovative uses for these types of materials. Gravel and sand from a recycling plant were analyzed, as well as aggregates produced in the laboratory from demolished concrete collected from landfills. The characterization was carried out by means of XRD (X-ray Diffraction), chemical microanalysis (EDS), X-ray fluorescence (XRF), pH measurement, and sieve analysis. The minerals present in the analyzed materials were feldspars, cristobalite and pyroxene, which corresponded to the natural aggregates, as well as variable amounts of calcite, a product of the carbonation of the cement paste adhered to these aggregates, and in a smaller proportion, calcium hemicarboaluminate, rosenhanite, and tobermorite. The quality (amount of cement) of the original concrete has a great influence on the granulometry and the chemical–mineralogical composition of the aggregates, since there will be different quantities and qualities of the cement paste adhered to the aggregates depending on their size. Finally, the pH values measured in all samples fluctuated between 10.15 and 12.08, suggesting that these materials can be used in soil stabilization or in agricultural applications.
Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1–40) Fibrils
Authors: Tavanti Francesco , Pedone Alfonso , Menziani Maria Cristina
Published: June 2018

One of the principal hallmarks of Alzheimer’s disease (AD) is related to the aggregation of amyloid-β fibrils in an insoluble form in the brain, also known as amyloidosis. Therefore, a prominent therapeutic strategy against AD consists of either blocking the amyloid aggregation and/or destroying the already formed aggregates. Natural products have shown significant therapeutic potential as amyloid inhibitors from in vitro studies as well as in vivo animal tests. In this study, the interaction of five natural biophenols (curcumin, dopamine, (-)-epigallocatechin-3-gallate, quercetin, and rosmarinic acid) with amyloid-β(1–40) fibrils has been studied through computational simulations. The results allowed the identification and characterization of the different binding modalities of each compounds and their consequences on fibril dynamics and aggregation. It emerges that the lateral aggregation of the fibrils is strongly influenced by the intercalation of the ligands, which modulates the double-layered structure stability.
Development and Validation of a HPLC-MS/MS Method for Simultaneous Determination of Twelve Bioactive Compounds in Epimedium: Application to a Pharmacokinetic Study in Rats
Authors: Sun Mengjie , Yin Yanwei , Wei Juan , Chen Xiaopeng , Ouyang Huizi , Chang Yanxu , Gao Xiumei , He Jun
Published: June 2018

A rapid and reliable HPLC-MS/MS method has been developed and validated for the simultaneous quantification of twelve bioactive compounds (baohuoside II, baohuoside I, sagittatoside A, sagittatoside B, magnoflorine, epimedin A, epimedin B, epimedin C, chlorogenic acid, neochlorogenic acid, cryptochlorogenic acid and icariin) in rat plasma. The collected plasma samples were prepared by protein precipitate with acetonitrile. The twelve compounds were separated on a CORTECS®C18 column (4.6 mm × 150 mm, 2.7 μm) with a gradient mobile phase system of 0.1% (v/v) formic acid and acetonitrile at a flow rate of 0.3 mL/min. All of the analytes were quantitated using electrospray ionization (ESI) in negative ion mode with selected reaction monitoring (SRM). The intra- and inter-day accuracy ranged from −5.6% to 13.0%, and the precisions of the analytes were less than 10.9%. The mean recoveries of the analytes were in the range of 60.66% to 99.77% and the matrix effect ranged from 93.08% to 119.84%. Stability studies proved that the analytes were stable under the tested conditions, with a relative standard deviation (RSD) lower than 11.7%. The developed method was successfully applied to evaluating the pharmacokinetic study of twelve bioactive compounds after oral administration of Epimedium extract in rat.
Plate-Focusing Based on a Meta-Molecule of Dendritic Structure in the Visible Frequency
Authors: Cheng Suna , An Di , Chen Huan , Zhao Xiaopeng
Published: June 2018

To study the potential application of metasurfaces in lens technology, we propose a dendritic meta-molecule surface (also referred to as a dendritic metasurface) and realize the focusing effect in the visible spectrum through simulations and experiments. Using asymmetric dendritic structures, this metasurface can achieve distinct broadband anomalous reflection and refraction. When the metasurface is rotated by 180° around the z axis, anomalous reflection and refraction in vertically incident optical waves are in opposite directions. Considering this feature, a metasurface is designed to achieve a prominent plate-focusing effect. Samples with a transmission peak of green light at 555 nm, yellow light at 580 nm, and red light at 650 nm were prepared using bottom-up electrochemical deposition, and the focus intensity of approximately 10% and focal length of almost 600 µm were experimentally demonstrated.
Enhanced Antioxidant Activity of Bioactives in Colored Grains by Nano-Carriers in Human Lens Epithelial Cells
Authors: Lee Yoon-Mi , Yoon Young , Yoon Haelim , Song Sooji , Park Hyun-Min , Lee Yu Young , Shin Hyunho , Hwang Sung Won , Yeum Kyung-Jin
Published: June 2018

The use of phytochemicals for preventing chronic diseases associated with oxidative stress such as cataracts is hindered by their low bioavailability. The effects of nano-carriers on the antioxidant activities of extracts of black rice with giant embryo (BRGEx) and soybeans (SBx) have been determined in human lens epithelial B3 cells. Scanning (SEM) and transmission electron microscopy (TEM) demonstrated that rGO (reduced graphene oxide) has a flat surface unlike GO (graphene oxide), which has a distinctive wrinkled structure with defects. UPLC analysis revealed 41.9 μg/100 g of γ-oryzanols in water extract of BRGE, and 111.8 μg /100 g of lutein, 757.7 μg/100 g of γ-tocotrienol, 4071.4 μg/100 g of γ-tocopherol in 40% ethanol extract of soybeans, respectively. Even though a low concentration of BRGEx alone did not show any antioxidant activity in B3 cells, co-treatment of BRGEx with rGO together substantially reduced hydrogen peroxide and methylglyoxal-induced DNA damage, as determined by phosphorylated γH2AX. In addition, SBx with rGO also attenuated DNA damage. Furthermore, intracellular reactive oxygen species were significantly decreased by combining extracts of these colored grains with rGO. These results suggest a potential application of nanocarriers for enhancing the bioavailability of phytochemicals.
Replacing Standard Reporters from Molecular Cloning Plasmids with Chromoproteins for Positive Clone Selection
Authors: Tafoya-Ramírez Margarita , Padilla-Vaca Felipe , Ramírez-Saldaña Ana , Mora-Garduño Josué , Rangel-Serrano Ángeles , Vargas-Maya Naurú , Herrera-Gutiérrez Luz , Franco Bernardo
Published: June 2018

Cloning and expression plasmids are the workhorses of modern molecular biology. Despite the pathway paved by synthetic biology, laboratories around the globe still relay on standard cloning techniques using plasmids with reporter proteins for positive clone selection, such as β-galactosidase alpha peptide complementation for blue/white screening or ccdB, which encodes for a toxic DNA gyrase. These reporters, when interrupted, serve as a positive clone detection system. In the present report, we show that molecular cloning plasmids bearing the coding sequence for a 25.4 kDa protein, AmilCP, encoded by a 685 bp gene, that is well expressed in Escherichia coli, render blue-purple colonies. Using this reporter protein, we developed and tested a cloning system based on the constitutive expression of the non-toxic AmilCP protein, that once interrupted, the loss of purple color serves to facilitate positive clone selection. The main advantage of this system is that is less expensive than other systems since media do not contain chromogenic markers such as X-gal, which is both expensive and cumbersome to prepare and use, or inductors such as IPTG. We also designed an inducible expression plasmid suitable for recombinant protein expression that also contains AmilCP cloning selection marker, a feature not commonly found in protein expression plasmids. The use of chromogenic reporters opens an important avenue for its application in other organisms besides E. coli for clone selection or even for mutant selection.
Monohexosylceramides from Rhizopus Species Isolated from Brazilian Caatinga: Chemical Characterization and Evaluation of Their Anti-Biofilm and Antibacterial Activities
Authors: Vieira Edson Rodrigues , Xisto Mariana Ingrid Dutra da Silva , Pele Milagre Américo , Alviano Daniela Sales , Alviano Celuta Sales , Barreto-Bergter Eliana , De Campos-Takaki Galba Maria
Published: June 2018

Monohexosylceramides (CMHs) are highly conserved fungal glycosphingolipids playing a role in several cellular processes such as growth, differentiation and morphological transition. In this study, we report the isolation, purification and chemical characterization of CMHs from Rhizopus stolonifer and R. microspores. Using positive ion mode ESI-MS, two major ion species were observed at m/z 750 and m/z 766, respectively. Both ion species consisted of a glucose/galactose residue attached to a ceramide moiety containing 9-methyl-4,8-sphingadienine with an amidic linkage to a hydroxylated C16:0 fatty acid. The antimicrobial activity of CMH was evaluated against Gram positive and Gram negative bacteria using the agar diffusion assay. CMH from both Rhizopus species inhibited the growth of Bacillus terrae, Micrococcus luteus (M. luteus) and Pseudomonas stutzeri (P. stutzeri) with a MIC50 of 6.25, 6.25 and 3.13 mg/mL, respectively. The bactericidal effect was detected only for M. luteus and P. stutzeri, with MBC values of 25 and 6.25 mg/mL, respectively. Furthermore, the action of CMH on the biofilm produced by methicillin-resistant Staphylococcus aureus (MRSA) was analyzed using 12.5 and 25 mg/mL of CMH from R. microsporus. Total biofilm biomass, biofilm matrix and viability of the cells that form the biofilm structure were evaluated. CMH from R. microsporus was able to inhibit the MRSA biofilm formation in all parameters tested.
Characterization of Frictional Properties of Single-Layer Molybdenum-Disulfide Film Based on a Coupling of Tip Radius and Tip–Sample Distance by Molecular-Dynamics Simulations
Authors: Pang Haosheng , Li Minglin , Gao Chenghui , Lai Lianfeng , Zhuo Weirong
Published: June 2018

Lateral-force microscopy is a powerful tool to study the frictional properties of two-dimensional materials. However, few works distinctly reveal the correlation between the tip radius with the tip–sample distance and the frictional properties of the two-dimensional (2D) materials. We performed molecular-dynamics simulations to study the atomic-scale friction of a typical two-dimensional single-layer molybdenum disulfide (SLMoS2). The effects of tip radius and tip–sample distance on the frictional properties were analyzed and discussed. The frictional force–sliding-distance curves show typical stick–slip behaviors, and the periodicity can be used to characterize the lattice constants of SLMoS2. Sub-nanoscale stick-slip movements occur in one-lattice sliding periods along with only the armchair (AC) direction and only when the tip radius is smaller than 3 Å with 1.47 Å tip-sample distance. At the same tip–sample distance, a smaller tip can provide a more detailed characterization and higher-precision frictional properties of SLMoS2. A larger tip is capable of providing comparative frictional properties of SLMoS2 at a proper vertical tip–sample distance, compared with the small tip.
Fluorescence and Cytotoxicity of Cadmium Sulfide Quantum Dots Stabilized on Clay Nanotubes
Authors: Stavitskaya Anna V. , Novikov Andrei A. , Kotelev Mikhail S. , Kopitsyn Dmitry S. , Rozhina Elvira V. , Ishmukhametov Ilnur R. , Fakhrullin Rawil F. , Ivanov Evgenii V. , Lvov Yuri M. , Vinokurov Vladimir A.
Published: June 2018

Quantum dots (QD) are widely used for cellular labeling due to enhanced brightness, resistance to photobleaching, and multicolor light emissions. CdS and CdxZn1−xS nanoparticles with sizes of 6–8 nm were synthesized via a ligand assisted technique inside and outside of 50 nm diameter halloysite clay nanotubes (QD were immobilized on the tube’s surface). The halloysite–QD composites were tested by labeling human skin fibroblasts and prostate cancer cells. In human cell cultures, halloysite–QD systems were internalized by living cells, and demonstrated intense and stable fluorescence combined with pronounced nanotube light scattering. The best signal stability was observed for QD that were synthesized externally on the amino-grafted halloysite. The best cell viability was observed for CdxZn1−xS QD immobilized onto the azine-grafted halloysite. The possibility to use QD clay nanotube core-shell nanoarchitectures for the intracellular labeling was demonstrated. A pronounced scattering and fluorescence by halloysite–QD systems allows for their promising usage as markers for biomedical applications.
Measuring the Healthiness of the Packaged Food Supply in Australia
Authors: Crino Michelle , Sacks Gary , Dunford Elizabeth , Trieu Kathy , Webster Jacqui , Vandevijvere Stefanie , Swinburn Boyd , Wu Jason Y. , Neal Bruce
Published: June 2018

The increasing availability of packaged foods plays a key role in nutritional transition. This study examined the healthiness of the Australian packaged food supply using a range of different metrics; 40,664 packaged products from The George Institute’s FoodSwitch database were included. Median and interquartile range (IQR) were determined for each measure of nutrient composition; mean and standard deviation (SD) for the measure based upon Health Star Rating (HSR); and proportions (%) for the measures based upon products with a higher HSR, classification of foods as either core or discretionary, extent of processing and proportions of foods that met reformulation targets for sodium, saturated fat and total sugars. Overall median (IQR) values were 1093 (1256) kJ/100 g for energy, 1.7 (6.3) g/100 g for saturated fat, 5.3 (21.4) g/100 g for total sugars, 163 (423) g/100 g for sodium and 50 (100) g or mL for serving size. Overall mean (SD) HSR was 2.8 (1.4), proportion with HSR < 3.5 was 61.8%, proportion of foods defined as discretionary was 53.0% and proportion of foods defined as highly processed was 60.5%. There were sodium targets set for 21,382/40,664 (53%) foods and achieved for 14,126/40,664 (35%). Corresponding figures for saturated fat were 328/40,664 (0.8%) and 130/40,664 (0.3%). Nutrient profiling, dietary guidelines and the extent of food processing provided comparable assessments of the nutritional quality of Australia’s packaged food supply. Individual measures of nutrient composition did not, but may be of value for identifying specific foods of concern.