bluuebunny/crossref_metadata_2025 huggingface dataset:
Will Updated Electricity Infrastructure Security Protect the Grid? A Case Study Modeling Electrical Substation Attacks
Authors: McGrath Jenna K.
Published: November 2018

As targeted attacks continue to threaten electricity infrastructure, the North American Electricity Reliability Corporation (NERC) and private utilities companies are revising and updating the physical and cybersecurity standards for grid infrastructure in the United States (U.S.). Using information collected about past physical attacks, feasible physical and cyber-physical attacks are modeled against the proposed updated security standards for a U.S.-based generic electric substation. Utilizing the software program Joint Conflict and Tactical Simulation (JCATS), a series of increasingly sophisticated physical attacks are simulated on the substation, as are a set of cyber-enabled physical attacks. The purpose of this study is to determine which of the security upgrades will be most effective at mitigating damages to the electrical infrastructure from an attack. The findings indicate that some of the utility and agency-proposed security measures are more effective than others. Specifically, additional barriers around the substation and physical armored protection of transformers are most effective at mitigating damages from attacks. In contrast, increased lighting at the substation and reducing the surrounding foliage are not as effective. This case study demonstrates a modeling analysis approach to testing the efficacy of physical security measures that can assist in utility and agency decision-making for critical infrastructure security.
Genome-Wide Scan for Copy Number Alteration Association with Relapse-Free Survival in Colorectal Cancer with Liver Metastasis Patients
Authors: Yang Po-Sheng , Hsu Hsi-Hsien , Hsu Tzu-Chi , Chen Ming-Jen , Wang Cin-Di , Yu Sung-Liang , Hsu Yi-Chiung , Li Ker-Chau
Published: November 2018

Predicting a patient’s risk of recurrence after the resection of liver metastases from colorectal cancer is critical for evaluating and selecting therapeutic approaches. Clinical and pathologic parameters have shown limited accuracy thus far. Therefore, we combined the clinical status with a genomic approach to stratify relapse-free survival in colorectal cancer liver metastases patients. To identify new molecular and genetic signatures specific to colorectal cancer with liver metastasis (CRCLM) patients, we conducted DNA copy number profiling on a cohort of 21 Taiwanese CRCLM patients using a comparative genomic hybridization (CGH) array. We identified a three-gene signature based on differential copy number alteration between patients with different statuses of (1) recurrence and (2) synchronous metastasis. In relapse hotspot regions, only three genes (S100PBP, CSMD2, and TGFBI) were significantly associated with the synchronous liver metastasis factor. A final set of three genes—S100PBP, CSMD2, TGFBI—significantly predicted relapse-free survival in our cohort (p = 0.04) and another CRCLM cohort (p = 0.02). This three-gene signature is the first genomic signature validated for relapse-free survival in post-hepatectomy CRCLM patients. Our three-gene signature was developed using a whole-genome CGH array and has a good prognostic position for the relapse-free survival of CRCLM patients after hepatectomy.
Effects of the Extracts from Fruit and Stem of Camellia japonica on Induced Pluripotency and Wound Healing
Authors: Jeon Hyejin , Kim Jae Yun , Choi Jung‐Kyun , Han Enna , Song Cho-Lok , Lee Jungwoon , Cho Yee Sook
Published: November 2018

Small molecules that improve reprogramming, stem cell properties, and regeneration can be widely applied in regenerative medicine. Natural plant extracts represent an abundant and valuable source of bioactive small molecules for drug discovery. Natural products themselves or direct derivatives of them have continued to provide small molecules that have entered clinical trials, such as anticancer and antimicrobial drugs. Here, we tested 3695 extracts from native plants to examine whether they can improve induced pluripotent stem cell (iPSC) generation using genetically homogeneous secondary mouse embryonic fibroblasts (MEFs) harboring doxycycline (dox)-inducible reprograming transgenes. Among the tested extracts, extracts from the fruit and stem of Camellia japonica (CJ) enhanced mouse and human iPSC generation and promoted efficient wound healing in an in vivo mouse wound model. CJ is one of the best-known species of the genus Camellia that belongs to the Theaceae family. Our findings identified the natural plant extracts from the fruit and stem of CJ as novel regulators capable of enhancing cellular reprogramming and wound healing, providing a useful supplement in the development of a more efficient and safer method to produce clinical-grade iPSCs and therapeutics.
Prevention of Occupational Strain: Can Psychological Empowerment and Organizational Commitment Decrease Dissatisfaction and Intention to Quit?
Authors: Llorente-Alonso Marta , Topa Gabriela
Published: November 2018

In the present study, the demands-control-support model has served as the basis for the assessment of occupational strain. This model has been used as a predictor of health problems. It has also been associated with organizational outcomes and behaviors. The purpose of this study is to relate job demands and resources with job satisfaction and intention to quit the union. We intend to test a multiple mediation model with psychological empowerment and union commitment as mediator variables. The investigation was carried out with 953 delegates of a Spanish trade union (healthcare professionals). We collected 401 questionnaires. Multiple mediation analyses were performed with bootstrapping techniques using the SPSS PROCESS macro. The results underlined the effects of multiple mediation of empowerment and commitment in the relation between resources and job satisfaction. This mediation was also observed in the relation between resources and intention to quit. The lack of relation between demands and satisfaction or intention to quit is of interest. In the presence of adequate resources, delegates are empowered and committed to their union, which leads to lower dissatisfaction and lower rates of quitting. This study advises organizations to give greater importance to motivational and attitudinal factors to attenuate occupational strain.
Broken Energy Homeostasis and Obesity Pathogenesis: The Surrounding Concepts
Authors: Ghanemi Abdelaziz , Yoshioka Mayumi , St-Amand Jonny
Published: November 2018

Obesity represents an abnormal fat accumulation resulting from energy imbalances. It represents a disease with heavy consequences on population health and society economy due to its related morbidities and epidemic proportion. Defining and classifying obesity and its related parameters of evaluation is the first challenge toward understanding this multifactorial health problem. Therefore, within this review we report selected illustrative examples of the underlying mechanisms beyond the obesity pathogenesis which is systemic rather than limited to fat accumulation. We also discuss the gut-brain axis and hormones as the controllers of energy homeostasis and report selected impacts of obesity on the key metabolic tissues. The concepts of “broken energy balance” is detailed as the obesity starting key step. Sleep shortage and psychological factors are also reported with influences on obesity development. Importantly, describing such mechanistic pathways would allow clinicians, biologists and researchers to develop and optimize approaches and methods in terms of diagnosis, classification, clinical evaluation, treatment and prognosis of obesity.
The Feasibility of Using Pulsatile Electromagnetic Fields (PEMFs) to Enhance the Regenerative Ability of Dermal Biomaterial Scaffolds
Authors: Feldman Dale S.
Published: November 2018

Degradable regenerative scaffolds usually require adjunctive treatment to meet the clinical healing performance requirements. This study was designed to look at pulsatile electromagnetic fields (PEMF) as an adjunctive therapy for these scaffolds in skin wounds; however, no scaffold was used in this study in order to isolate the effects of PEMF alone. In this study, New Zealand rabbits received four full-thickness defects with a size of 3 cm × 3 cm on the dorsolateral aspect. The rabbits in the treatment group were placed in a chamber and subjected to a PEMF at six different predetermined frequency and intensity combinations for 2 h a day for a 2-week period. At the end of the 2-week period, the animals were sacrificed and tissue samples were taken. Half of each tissue sample was used for histomorphometric analysis and the other half was for tensile testing. The study showed an increased healing response by all the PEMF treatments compared to that in the control, although different combinations led to increases in different aspects of the healing response. This suggests that although some treatments are better for the critical clinical parameter—healing rate, it might be beneficial to use treatments in the early stages to increase angiogenesis before the treatment is switched to the one best for the healing rate to get an even better haling rate.
Investigating the Pre-Damaged PZT Sensors under Impact Traction
Authors: Fotouhi Sakineh , Fotouhi Mohamad , Pavlovic Ana , Djordjevic Nenad
Published: November 2018

Ships are usually under vibration, impact, and other kinds of static and dynamic loads. These loads arise from water flow across the hull or surfaces, the propeller cavitation, and so on. For optimal design purposes and reliable performance, experimental measurements are necessary. These sensors are often used under or near the water, working conditions that improve the risk of sensor damage. This paper aims at investigating, by the use of finite elements, the behavior of damaged piezoelectric sensors under traction and impact loads. The numerical method was calibrated using results available in the literature regarding piezoelectric and elastic plates with a central crack. After calibration, the simulation was used on two types of Lead-Zirconium-Titanium oxide (PZT) sandwich panel structures reinforced by aluminum skins. The results proved that the damage size and impact energy are important factors affecting the response of piezoelectric sensors; therefore, special attention might be considered when using these sensors for marine applications.
Urban River Recovery Inspired by Nature-Based Solutions and Biophilic Design in Albufeira, Portugal
Authors: Blau Marie Luise , Luz Frieder , Panagopoulos Thomas
Published: November 2018

Mass urbanisation presents one of the most urgent challenges of the 21st century. The development of cities and the related increasing ground sealing are asking even more for the restoration of urban rivers, especially in the face of climate change and its consequences. This paper aims to demonstrate nature-inspired solutions in a recovery of a Southern European river that was canalised and transformed in culvert pipes. The river restoration project naturally tells the history of the city, creates a sense for the place, as well as unifying blue–green infrastructure in a symbolic way by offering areas for recreation. To improve well-being and city resilience in the long term, a regenerative sustainability approach based on biophilic design patterns was proposed. Such actions will provide greater health, social cohesion, and well-being for residents and simultaneously reduce the risks of climate change, such as heat island effect and flash floods, presenting the benefits of the transition to a regenerative economy and holistic thinking.
Solar Light Induced Photon-Assisted Synthesis of TiO2 Supported Highly Dispersed Ru Nanoparticle Catalysts
Authors: Wojciechowska Joanna , Gitzhofer Elisa , Grams Jacek , Ruppert Agnieszka M. , Keller Nicolas
Published: November 2018

Ru/TiO2 are promising heterogeneous catalysts in different key-reactions taking place in the catalytic conversion of biomass towards fuel additives, biofuels, or biochemicals. TiO2 supported highly dispersed nanometric-size metallic Ru catalysts were prepared at room temperature via a solar light induced photon-assisted one-step synthesis in liquid phase, far smaller Ru nanoparticles with sharper size distribution being synthesized when compared to the catalysts that were prepared by impregnation with thermal reduction in hydrogen. The underlying strategy is based on the redox photoactivity of the TiO2 semi-conductor support under solar light for allowing the reduction of metal ions pre-adsorbed at the host surface by photogenerated electrons from the conduction band of the semi-conductor in order to get a fine control in terms of size distribution and dispersion, with no need of chemical reductant, final thermal treatment, or external hydrogen. Whether acetylacetonate or chloride was used as precursor, 0.6 nm sub-nanometric metallic Ru particles were synthesized on TiO2 with a sharp size distribution at a low loading of 0.5 wt.%. Using the chloride precursor was necessary for preparing Ru/TiO2 catalysts with a 0.8 nm sub-nanometric mean particle size at 5 wt.% loading, achieved in basic conditions for benefitting from the enhanced adsorption between the positively-charged chloro-complexes and the negatively-charged TiO2 surface. Remarkably, within the 0.5–5 wt.% range, the Ru content had only a slight influence on the sub-nanometric particle size distribution, thanks to the implementation of suitable photo-assisted synthesis conditions. We demonstrated further that a fine control of the metal Ru nanoparticle size on the TiO2 support was possible via a controlled nanocluster growth under irradiation, while the nanoparticles revealed a good resistance to thermal sintering.
Improvements on the Interfacial Properties of High-k/Ge MIS Structures by Inserting a La2O3 Passivation Layer
Authors: Zhao Lu , Liu Hongxia , Wang Xing , Wang Yongte , Wang Shulong
Published: November 2018

In this paper, the impact of La2O3 passivation layers on the interfacial properties of Ge-based metal-insulator-semiconductor (MIS) structures was investigated. It was proven that the formation of a thermodynamically stable LaGeOx component by incorporating a La2O3 interlayer could effectively suppress desorption of the interfacial layer from GeO2 to volatile GeO. The suppression of GeO desorption contributed to the decrease in oxide trapped charges and interfacial traps in the bulk of the gate insulator, or the nearby interfacial regions in the Al2O3/La2O3/Ge structure. Consequently, the hysteretic behavior of the dual-swept capacitance-voltage (C-V) curves and the frequency dispersion of multi-frequency C-V curves were remarkably weakened. Besides, more than one order of magnitude decrease in the gate leakage current density, and higher insulator breakdown electric field were obtained after inserting a La2O3 passivation layer.
Some PPF Dependent Fixed Point Theorems for Generalized α-F-Contractions in Banach Spaces and Applications
Authors: Cho Yeol Je , Kang Shin Min , Salimi Peyman
Published: November 2018

In this paper, we introduce the concepts of an α -admissible nonself-mapping, an α -F-contractive nonself-mapping, a weak α -F-contractive nonself-mapping, and a generalized α -F-contractive nonself-mapping and prove some P P F (past-present-future)-dependent fixed point theorems for the proposed contractive nonself-mappings in certain Razumikhin classes. By using our results, we derive some P P F -dependent fixed point theorems for an α -F-contractive nonself-mapping endowed with a graph or a partial order. Finally, we give some applications to illustrate the main results.
Efficient Solutions of Interval Programming Problems with Inexact Parameters and Second Order Cone Constraints
Authors: Sadeghi Ali , Saraj Mansour , Mahdavi Amiri Nezam
Published: November 2018

In this article, a methodology is developed to solve an interval and a fractional interval programming problem by converting into a non-interval form for second order cone constraints, with the objective function and constraints being interval valued functions. We investigate the parametric and non-parametric forms of the interval valued functions along with their convexity properties. Two approaches are developed to obtain efficient and properly efficient solutions. Furthermore, the efficient solutions or Pareto optimal solutions of fractional and non-fractional programming problems over R + n ⋃ { 0 } are also discussed. The main idea of the present article is to introduce a new concept for efficiency, called efficient space, caused by the lower and upper bounds of the respective intervals of the objective function which are shown in different figures. Finally, some numerical examples are worked through to illustrate the methodology and affirm the validity of the obtained results.
Cermets and Hardmetals
Authors: Plucknett Kevin
Published: November 2018

Cermets and hardmetals combine the most favorable characteristics of ceramics and metals, namely the high hardness and elastic moduli of the former, and the ductility and toughness of the latter. [...]
Analysis of Weak Zones in Friction Stir Welded Magnesium Alloys from the Viewpoint of Local Texture: A Short Review
Authors: Liu Dejia , Tang Yanchuan , Shen Mingxue , Hu Yong , Zhao Longzhi
Published: November 2018

Friction stir welding (FSW) is a promising approach for the joining of magnesium alloys. Although many Mg alloys have been successfully joined by FSW, it is far from industrial applications due to the texture variation and low mechanical properties. This short review deals with the fundamental understanding of weak zones from the viewpoint of texture analysis in FSW Mg alloys, especially for butt welding. Firstly, a brief review of the microstructure and mechanical properties of FSW Mg alloys is presented. Secondly, microstructure and texture evolutions in weak zones are analyzed and discussed based on electron backscatter diffraction data and Schmid factors. Then, how to change the texture and strengthen the weak zones is also presented. Finally, the review concludes with some future challenges and research directions related to the texture in FSW Mg alloys. The purpose of the paper is to provide a basic understanding on the location of weak zones as well as the weak factors related to texture to improve the mechanical properties and promote the industrial applications of FSW Mg alloys.
Effect of Heat Treatment on Microstructure and Mechanical Properties of the AZ31/WE43 Bimetal Composites
Authors: Xu Dexing , Zhao Kangning , Yang Changlin , Li Hongxiang , Zhang Jishan
Published: November 2018

Effect of heat treatment on the microstructure and mechanical properties of the AZ31/WE43 bimetal composites was investigated, and the optimized solution treatment and ageing treatment parameters were achieved. After heat treatment, it was found that that the high melting-point Y-rich phases and Mg-RE (rare earth) phases at the interface were distributed more uniformly, so the interfacial strength and plasticity were improved. Meanwhile, the shear strength and plasticity of AZ31 were increased, and the shear strength of WE43 was also improved by heat treatment. The evolution of interface morphologies and enhancement of the mechanical properties at the interface will be discussed in detail.
Metabolomics of Breast Milk: The Importance of Phenotypes
Authors: Dessì Angelica , Briana Despina , Corbu Sara , Gavrili Stavroula , Cesare Marincola Flaminia , Georgantzi Sofia , Pintus Roberta , Fanos Vassilios , Malamitsi-Puchner Ariadne
Published: November 2018

Breast milk is the gold standard of nutrition for newborns. Its composition is tailored to the nutritional needs of the infant and varies between mothers. In recent years, several bioactive molecules have been discovered in addition to the main nutrients, such as multipotent stem cells, hormones, immunoglobulins, and bacteria. Furthermore, the human milk oligosaccharides (HMOs) seem to exert several important protective biological functions. According to the HMOs’ composition, breast milk can be classified as a secretory or non-secretory phenotype. In our study, we investigated the metabolome of milk collected from 58 mothers that delivered neonates at term, that were appropriate, small or large for gestational age, by performing nuclear magnetic resonance spectroscopy (1H-NMR). From the data analysis, two groups were distinguished based on their different types of oligosaccharides, and classified according the mother phenotype: secretory and non-secretory. This information is of major importance given the different biological function of the different HMOs, such as immune-modulation and protection against disease. This would allow us to predict whether the neonate would be, for instance, more prone to developing certain diseases, and to tailor her or his nutrition to fit their needs perfectly and pave the way to a personalized nutrition.
Synergistic Use of UAV and USV Data and Petrographic Analyses for the Investigation of Beachrock Formations: A Case Study from Syros Island, Aegean Sea, Greece
Authors: Nikolakopoulos Konstantinos G. , Lampropoulou Paraskevi , Fakiris Elias , Sardelianos Dimitris , Papatheodorou George
Published: November 2018

Up until the last ten years, remote sensing data and especially high-resolution satellite data and airphotos were mainly used in shallow water mapping. The evolution and low cost of unmanned aerial vehicles (UAVs) provides a new tool for coastal area monitoring. This paper presents the synergistic use of a small commercial UAV and an unmanned surface vehicle (USV) for beachrock mapping in Syros Island, Greece. RGB images collected with a quadcopter were processed using Structure from Motion (SFM) photogrammetry in order to create digital surface models (DSMs) and orthophotos of the coastline. A beachrock lying in shallow waters was detected and mapped using the UAV derived products. At the same time, a USV equipped with a compact side scan sonar (SSS) and bathymetric sonar system, provided the shape of the beachrock by mosaicking the backscatter strength of the SSS. In order to evaluate the results of the UAV and USV data derivatives, the beachrock perimeter and its depth were also mapped using a differential global navigation satellite system (GNSS) receiver. During the fieldwork, samples from the beachrock were collected and analyzed in the laboratory. The mineralogical composition of the bulk samples was determined by powder X-ray diffraction (XRD). Further petrographic study was also performed by petrographic polarizing microscope, macroscope, and scanning electron microscopy (SEM). Beachrock samples are classified as fine to medium grain sandstones and conglomerates. The mineral compositions of their grains and lithoclasts reflect the bedrocks of Syros Island (mainly metamorphic rocks) while a micritic high-Mg calcite constitutes the cement of these rocks.
Screening of Angiotensin-I Converting Enzyme Inhibitory Peptides Derived from Caulerpa lentillifera
Authors: Joel Cesarea Hulda , Sutopo Christoper C. Y. , Prajitno Arief , Su Jui-Hsin , Hsu Jue-Liang
Published: November 2018

Peptides with angiotensin-I converting enzyme (ACE) inhibitory activity have received considerable interest due to their potential as antihypertensive agents and consumer concern over the safety of synthetic drugs. The objective of this study was to isolate ACE inhibitory (ACEI) peptides from Caulerpa lentillifera (known commonly as sea grape) protein hydrolysate. In this study, short-chain peptides were obtained after hydrolysis by various enzymes and subsequently by ultrafiltration. Thermolysin hydrolysate showed the highest ACEI activity. Bioassay-guided fractionation was performed using reversed-phase high performance liquid chromatography (RP-HPLC) to uncover the fraction 9 with the highest ACE inhibitory activity from thermolysin hydrolysate. Peptides in this fraction were further identified using liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis coupled with de novo sequencing, which gave two oligopeptides, FDGIP (FP-5) and AIDPVRA (AA-7). The identities and activities of these two peptides were further confirmed using synthetic peptides. Their IC50 values were determined as 58.89 ± 0.68 µM and 65.76 ± 0.92 µM, respectively. Moreover, the inhibition kinetics revealed that both FP-5 and AA-7 are competitive inhibitors. These activities were further explained using molecular docking simulation. The present study is the first report about ACEI peptides derived from Caulerpa lentillifera and it shows the potential for preventing hypertension and for functional food development.
Towards a Stochastic Paradigm: From Fuzzy Ensembles to Cellular Functions
Authors: Fuxreiter Monika
Published: November 2018

The deterministic sequence → structure → function relationship is not applicable to describe how proteins dynamically adapt to different cellular conditions. A stochastic model is required to capture functional promiscuity, redundant sequence motifs, dynamic interactions, or conformational heterogeneity, which facilitate the decision-making in regulatory processes, ranging from enzymes to membraneless cellular compartments. The fuzzy set theory offers a quantitative framework to address these problems. The fuzzy formalism allows the simultaneous involvement of proteins in multiple activities, the degree of which is given by the corresponding memberships. Adaptation is described via a fuzzy inference system, which relates heterogeneous conformational ensembles to different biological activities. Sequence redundancies (e.g., tandem motifs) can also be treated by fuzzy sets to characterize structural transitions affecting the heterogeneous interaction patterns (e.g., pathological fibrillization of stress granules). The proposed framework can provide quantitative protein models, under stochastic cellular conditions.
Solvent Bar Micro-Extraction of Heavy Metals from Natural Water Samples Using 3-Hydroxy-2-Naphthoate-Based Ionic Liquids
Authors: Pirkwieser Philip , López-López José A. , Kandioller Wolfgang , Keppler Bernhard K. , Moreno Carlos , Jirsa Franz
Published: November 2018

Developments in the liquid micro-extraction of trace metals from aqueous phases have proven to be limited when extended from pure water to more complex and demanding matrices such as sea water or wastewater treatment effluents. To establish a system that works under such matrices, we successfully tested three task-specific ionic liquids, namely trihexyltetradecyl- phosphonium-, methyltrioctylphosphonium- and methyltrioctylammonium 3-hydroxy-2-naphthoate in two-phase solvent bar micro-extraction (SBME) experiments. We describe the influence of pH, organic additives, time, stirring rate and volume of ionic liquid for multi-elemental micro-extraction of Cu, Ag, Cd and Pb from various synthetic and natural aqueous feed solutions. Highest extraction for all metals was achieved at pH 8.0. Minimal leaching of the ionic liquids into the aqueous phase was demonstrated, with values < 30 mg L−1 DOC in all cases. Sample salinities of up to 60 g L−1 NaCl had a positive effect on the extraction of Cd, possibly due to an efficient extraction mechanism of the present chlorido complexes. In metal-spiked natural feed solutions, the selected SBME setups showed unchanged stability under all conditions tested. We could efficiently (≥85%) extract Cu and Ag from drinking water and achieved high efficacies for Ag and Cd from natural sea water and hypersaline water, respectively. The method presented here proves to be a useful tool for an efficient SBME of heavy metals from natural waters without the need to pretreat or modify the sample.
Multielemental Analysis Associated with Chemometric Techniques for Geographical Origin Discrimination of Tea Leaves (Camelia sinensis) in Guizhou Province, SW China
Authors: Zhang Jian , Yang Ruidong , Chen Rong , Li Yuncong C. , Peng Yishu , Liu Chunlin
Published: November 2018

This study aimed to construct objective and accurate geographical discriminant models for tea leaves based on multielement concentrations in combination with chemometrics tools. Forty mineral elements in 87 tea samples from three growing regions in Guizhou Province (China), namely Meitan and Fenggang (MTFG), Anshun (AS) and Leishan (LS) were analyzed. Chemometrics evaluations were conducted using a one-way analysis of variance (ANOVA), principal component analysis (PCA), linear discriminant analysis (LDA), and orthogonal partial least squares discriminant analysis (OPLS-DA). The results showed that the concentrations of the 28 elements were significantly different among the three regions (p < 0.05). The correct classification rates for the 87 tea samples were 98.9% for LDA and 100% for OPLS-DA. The variable importance in the projection (VIP) values ranged between 1.01–1.73 for 11 elements (Sb, Pb, K, As, S, Bi, U, P, Ca, Na, and Cr), which can be used as important indicators for geographical origin identification of tea samples. In conclusion, multielement analysis coupled with chemometrics can be useful for geographical origin identification of tea leaves.
Improving the Phototherapeutic Efficiencies of Molecular and Nanoscale Materials by Targeting Mitochondria
Authors: Lin Fengming , Bao Yan-Wen , Wu Fu-Gen
Published: November 2018

Mitochondria-targeted cancer phototherapy (PT), which works by delivering photoresponsive agents specifically to mitochondria, is a powerful strategy to improve the phototherapeutic efficiency of anticancer treatments. Mitochondria play an essential role in cellular apoptosis, and are relevant to the chemoresistance of cancer cells. Furthermore, mitochondria are a major player in many cellular processes and are highly sensitive to hyperthermia and reactive oxygen species. Therefore, mitochondria serve as excellent locations for organelle-targeted phototherapy. In this review, we focus on the recent advances of mitochondria-targeting materials for mitochondria-specific PT. The combination of mitochondria-targeted PT with other anticancer strategies is also summarized. In addition, we discuss both the challenges currently faced by mitochondria-based cancer PT and the promises it holds.
Nutritional Regulators of Bcl-xL in the Brain
Authors: Park Han-A , Broman Katheryn , Stumpf Allison , Kazyak Sara , Jonas Elizabeth A.
Published: November 2018

B-cell lymphoma-extra large (Bcl-xL) is an anti-apoptotic Bcl-2 protein found in the mitochondrial membrane. Bcl-xL is reported to support normal brain development and protects neurons against toxic stimulation during pathological process via its roles in regulation of mitochondrial functions. Despite promising evidence showing neuroprotective properties of Bcl-xL, commonly applied molecular approaches such as genetic manipulation may not be readily applicable for human subjects. Therefore, findings at the bench may be slow to be translated into treatments for disease. Currently, there is no FDA approved application that specifically targets Bcl-xL and treats brain-associated pathology in humans. In this review, we will discuss naturally occurring nutrients that may exhibit regulatory effects on Bcl-xL expression or activity, thus potentially providing affordable, readily-applicable, easy, and safe strategies to protect the brain.
Gelation of Poly(Vinylidene Fluoride) Solutions in Native and Organically Modified Silica Nanopores
Authors: Espinosa-Dzib Alejandra , Vyazovkin Sergey
Published: November 2018

The purpose of this study is to highlight the surface and size effects of the nanopores on the thermodynamics and kinetics of gelation. The effects have been probed by applying differential scanning calorimetry to poly(vinylidene fluoride) solutions in tetraethylene glycol dimethyl ether (tetraglyme) and γ-butyrolactone. Nanoconfinement has been accomplished by introducing gels into native and organically modified silica nanopores (4–30 nm). Nanoconfinement has produced two major effects. First, the heat of gelation has decreased three to four times compared to that for the bulk systems. Second, the temperature of gelation has increased by ~40 °C (tetraglyme based systems) and ~70 °C (γ-butyrolactone based systems), the increase being stronger in native nanopores. The effects are discussed in terms of acceleration of gelation due to heterogeneous nucleation at the confining surface, and retardation of gelation due to constricted polymer chain mobility in the middle of the pore volume. Calorimetric data have been subjected to isoconversional kinetics analysis. The obtained temperature dependencies of the activation energies of gelation have been interpreted in the frameworks of the nucleation model of Turnbull and Fisher. The results suggest that nanoconfinement leads to a lowering of both the free energy of nucleation and activation energy of diffusion.
Lactobacillus plantarum CQPC11 Isolated from Sichuan Pickled Cabbages Antagonizes d-galactose-Induced Oxidation and Aging in Mice
Authors: Qian Yu , Zhang Jing , Zhou Xianrong , Yi Ruokun , Mu Jianfei , Long Xingyao , Pan Yanni , Zhao Xin , Liu Weiwei
Published: November 2018

Chinese pickled cabbage is a traditional fermented food that contains abundant microbes produced during the process of fermentation. In this work, an in vivo animal study was conducted to investigate the effects of a newly isolated lactic acid bacterium (Lactobacillus plantarum CQPC11, LP-CQPC11) on d-galactose-induced oxidation and aging in mice. Analysis of the serum and tissue samples of these mice using molecular biology approaches showed that LP-CQPC11 suppressed the decrease in thymus, brain, heart, liver, spleen, and kidney indices caused by oxidation and aging. Furthermore, LP-CQPC11 increased the levels of SOD (superoxide dismutase), GSH-Px (glutathione peroxidase), and GSH (glutathione), whereas it reduced the levels of NO (nitric oxide) and MDA (malondialdehyde) in the serum, liver, and spleen of oxidation and aging mouse models. Pathological observation indicated that LP-CQPC11 alleviated the damage caused by oxidation and aging on the liver and spleen of mice. qPCR analysis indicated that LP-CQPC11 effectively upregulated the expression of nNOS (neuronal nitric oxide synthase), eNOS (endothelial nitric oxide synthase), Cu/Zn-SOD (cuprozinc-superoxide dismutase), Mn-SOD (manganese superoxide dismutase), CAT (catalase), HO-1 (heme oxygenase-1), Nrf2 (nuclear factor-erythroid 2 related factor 2), γ-GCS (γ-glutamylcysteine synthetase), and NQO1 (NAD(P)H dehydrogenase [quinone] 1), but downregulated the expression of iNOS (inducible nitric oxide synthase) in the mouse liver and spleen. Western blot analysis showed that LP-CQPC11 effectively upregulated SOD1 (Cu/Zn-SOD), SOD2 (Mn-SOD), CAT, GSH1 (c-glutamylcysteine synthetase), and GSH2 (glutathione synthetase) protein expression in mouse liver and spleen tissues. These findings suggest that LP-CQPC11 can effectively prevent d-galactose-induced oxidation and aging in mice, and the effect is even better than that of the commonly used Lactobacillus delbruechii subsp. bulgaricus (LDSB) and vitamin C in the industry. Thus, LP-CQPC11 may be potentially employed as a probiotic strain.
Screening, Synthesis, and QSAR Research on Cinnamaldehyde-Amino Acid Schiff Base Compounds as Antibacterial Agents
Authors: Wang Hui , Jiang Mingyue , Sun Fangli , Li Shujun , Hse Chung-Yun , Jin Chunde
Published: November 2018

Development of new drugs is one of the solutions to fight against the existing antimicrobial resistance threat. Cinnamaldehyde-amino acid Schiff base compounds, are newly discovered compounds that exhibit good antibacterial activity against gram-positive and gram-negative bacteria. Quantitative structure–activity relationship (QSAR) methodology was applied to explore the correlation between antibacterial activity and compound structures. The two best QSAR models showed R2 = 0.9354, F = 57.96, and s2 = 0.0020 against Escherichia coli, and R2 = 0.8946, F = 33.94, and s2 = 0.0043 against Staphylococcus aureus. The model analysis showed that the antibacterial activity of cinnamaldehyde compounds was significantly affected by the polarity parameter/square distance and the minimum atomic state energy for an H atom. According to the best QSAR model, the screening, synthesis, and antibacterial activity of three cinnamaldehyde-amino acid Schiff compounds were reported. The experiment value of antibacterial activity demonstrated that the new compounds possessed excellent antibacterial activity that was comparable to that of ciprofloxacin.
Antifungal Efficacy of Marine Macroalgae against Fungal Isolates from Bronchial Asthmatic Cases
Authors: Mickymaray Suresh , Alturaiki Wael
Published: November 2018

Fungal sensitization is very common in bronchial asthmatic cases, and the connection with airway colonization by fungi remains uncertain. Antifungal therapy failure is a significant fraction of the cost and morbidity and mortality in the majority of the asthmatic cases. Hence, the present study aimed to investigate the antifungal activity of five marine macroalgae—Acanthaophora specifera, Cladophoropsis sp., Laurencia paniculata, Tydemania sp., and Ulva prolifera—which were tested on selected fungal pathogens isolated from 15 sputum of 45 bronchial asthmatic patients. The highest antifungal activity was observed in ethanol fractions of L. paniculata followed by U. prolifera, Cladophoropsis sp., A. specifera, and Tydemania sp. The minimum fungicidal concentration and minimum inhibitory concentration values of the ethanolic fractions of algal species were found to be 125–1000 µg/mL and 125–500 µg/mL, respectively. The algal extracts contained terpene alcohol, diterpene, steroids, sesquiterpene, and sesquiterpene alcohol, as determined by GC–MS/MS analyses. The present study shows that the marine macroalgae containing bioactive compounds had excellent inhibitory activity against a variety of fungal pathogens, which may be useful for combating fungal infections and recovering from chronic asthmatic states.
Ionic Liquid-Promoted Three-Component Domino Reaction of Propargyl Alcohols, Carbon Dioxide and 2-Aminoethanols: A Thermodynamically Favorable Synthesis of 2-Oxazolidinones
Authors: Xia Shumei , Song Yu , Li Xuedong , Li Hongru , He Liang-Nian
Published: November 2018

To circumvent the thermodynamic limitation of the synthesis of oxazolidinones starting from 2-aminoethanols and CO2 and realize incorporation CO2 under atmospheric pressure, a protic ionic liquid-facilitated three-component reaction of propargyl alcohols, CO2 and 2-aminoethanols was developed to produce 2-oxazolidinones along with equal amount of α-hydroxyl ketones. The ionic liquid structure, reaction temperature and reaction time were in detail investigated. And 15 mol% 1,5,7-triazabicylo[4.4.0]dec-5-ene ([TBDH][TFE]) trifluoroethanol was found to be able to synergistically activate the substrate and CO2, thus catalyzing this cascade reaction under atmospheric CO2 pressure. By employing this task-specific ionic liquid as sustainable catalyst, 2-aminoethanols with different substituents were successfully transformed to 2-oxazolidinones with moderate to excellent yield after 12 h at 80 °C.
The Utility of Supertype Clustering in Prediction for Class II MHC-Peptide Binding
Authors: Shen Wen-Jun , Zhang Xun , Zhang Shaohong , Liu Cheng , Cui Wenjuan
Published: November 2018

Motivation: Extensive efforts have been devoted to understanding the antigenic peptides binding to MHC class I and II molecules since they play a fundamental role in controlling immune responses and due their involvement in vaccination, transplantation, and autoimmunity. The genes coding for the MHC molecules are highly polymorphic, and it is difficult to build computational models for MHC molecules with few know binders. On the other hand, previous studies demonstrated that some MHC molecules share overlapping peptide binding repertoires and attempted to group them into supertypes. Herein, we present a framework of the utility of supertype clustering to gain more information about the data to improve the prediction accuracy of class II MHC-peptide binding. Results: We developed a new method, called superMHC, for class II MHC-peptide binding prediction, including three MHC isotypes of HLA-DR, HLA-DP, and HLA-DQ, by using supertype clustering in conjunction with RLS regression. The supertypes were identified by using a novel repertoire dissimilarity index to quantify the difference in MHC binding specificities. The superMHC method achieves the state-of-the-art performance and is demonstrated to predict binding affinities to a series of MHC molecules with few binders accurately. These results have implications for understanding receptor-ligand interactions involved in MHC-peptide binding.
Virtual Screening, Biological Evaluation, and 3D-QSAR Studies of New HIV-1 Entry Inhibitors That Function via the CD4 Primary Receptor
Authors: Zhang Chaozai , Zhang Huijun , Huang Lina S. , Zhu Siyu , Xu Yan , Zhang Xing-Quan , Schooley Robert T. , Yang Xiaohong , Huang Ziwei , An Jing
Published: November 2018

Human immunodeficiency virus type 1 (HIV-1) is responsible for the majority of HIV infections worldwide, and we still lack a cure for this infection. Blocking the interaction of HIV-1 and its primary receptor CD4 is one strategy for identifying new anti-HIV-1 entry inhibitors. Here we report the discovery of a novel ligand that can inhibit HIV-1 entry and infection via CD4. Biological and computational analyses of this inhibitor and its analogs, using bioactivity evaluation, Rule of Five (RO5), comparative molecular field analysis (CoMFA)/comparative molecular similarity index analysis (CoMSIA) models, and three-dimensional quantitative structure-activity relationship (3D-QSAR), singled out compound 3 as a promising lead molecule for the further development of therapeutics targeting HIV-1 entry. Our study demonstrates an effective approach for employing structure-based, rational drug design techniques to identify novel antiviral compounds with interesting biological activities.
Segmentation of Total Cell Area in Brightfield Microscopy Images
Authors: Čepa Martin
Published: November 2018

Segmentation is one of the most important steps in microscopy image analysis. Unfortunately, most of the methods use fluorescence images for this task, which is not suitable for analysis that requires a knowledge of area occupied by cells and an experimental design that does not allow necessary labeling. In this protocol, we present a simple method, based on edge detection and morphological operations, that separates total area occupied by cells from the background using only brightfield channel image. The resulting segmented picture can be further used as a mask for fluorescence quantification and other analyses. The whole procedure is carried out in open source software Fiji.
Influence of Metabolite Extraction Methods on 1H-NMR-Based Metabolomic Profiling of Enteropathogenic Yersinia
Authors: Gines Brandon R. , Collier Willard E. , Abdalla Mohamed A. , Yehualaeshet Teshome
Published: November 2018

Metabolite extraction is one of the critical steps in microbial metabolome analysis. It affects both the observed metabolite content and biological interpretation of the data. Several methods exist for metabolite extraction of microbes, but the literature is not consistent regarding the sample model, adequacy, and performance of each method. In this study, an optimal extraction protocol for Yersinia intracellular metabolites was investigated. The effect of five extraction protocols consisting of different extraction solvent systems (60% methanol, 100% methanol, acetonitrile/methanol/water (2:2:1), chloroform/methanol/water (2:1:1), and 60% ethanol) on Yersinia metabolic profiles were compared. The number of detected peaks, sample-to-sample variation, and metabolite yield were used as criteria. Extracted metabolites were analyzed by 1H-NMR and principal component analysis (PCA), as well as partial least squares discriminant analysis (PLS-DA) multivariate statistics. The extraction protocol using 100% methanol as the extraction solvent provided the highest number of detected peaks for both Yersinia species analyzed, yielding more spectral information. Together with the reproducibility and spectrum quality, 100% methanol extraction was suitable for intracellular metabolite extraction from both species. However, depending on the metabolites of interest, other solvents might be more suitable for future studies, as distinct profiles were observed amongst the extraction methods.
Effect of Aminosilane Coupling Agents with Different Chain Lengths on Thermo-Mechanical Properties of Cross-Linked Epoxy Resin
Authors: Tang Yujing , Tang Chao , Hu Dong , Gui Yingang
Published: November 2018

In this paper, a molecular dynamics simulation method was used to study the thermo-mechanical properties of cross-linked epoxy resins doped with nano silica particles that were grafted with 3-aminopropyltriethoxysilane, N-(2-aminoethyl)-3-aminopropyltrimethoxysilane, and 3-[2-(2-aminoethylamino)ethylamino]-propyl-trimethoxysilane with different chain lengths. Firstly, a set of pure epoxy resin models, and four sets of SiO2/EP composite models were established. Then, a reasonable structure was obtained through a series of optimizations using molecular dynamics calculations. Next, the mechanical properties, hydrogen bond statistics, glass transition temperature, free volume fraction, and chain spacing of the five models were studied comparatively. The results show that doped nano silica particles of surfaces grafted with 3-aminopropyltriethoxysilane, N-(2-aminoethyl)-3-aminopropyltrimethoxysilane, and 3-[2-(2-aminoethylamino)ethylamino]-propyl-trimethoxysilane with different chain lengths enhanced mechanical properties such as elastic modulus, shear modulus, and volume modulus obviously. The glass transition temperature increased by 15–16 K, 40–41 K, and 24–27 K, respectively. Finally, the data show that the cross-linked epoxy resin modified by nanoparticles grafted with N-(2-aminoethyl)-3-aminopropyl trimethoxysilane had better effects for improving thermo-mechanical properties by the comparatively studying the five groups of parameter models under the same conditions.
Solid Food Introduction and the Development of Food Allergies
Authors: Caffarelli Carlo , Di Mauro Dora , Mastrorilli Carla , Bottau Paolo , Cipriani Francesca , Ricci Giampaolo
Published: November 2018

The rise of food allergy in childhood, particularly among developed countries, has a significant weight on public health and involves serious implications for patients’ quality of life. Even if the mechanisms of food tolerance and the complex interactions between the immune system and environmental factors are still mainly unknown, pediatricians have worldwide implemented preventive measures against allergic diseases. In the last few decades, the prevention of food allergy has tracked various strategies of complementary feeding with a modification of international guidelines from delayed introduction to early weaning. Current evidence shows that complementary foods, including allergenic ones, should be introduced into diet after four months, or even better, following World Health Organization advice, around six months irrespective of risk for allergy of the individual. The introduction of peanut is recommended before 12 months of age among infants affected by severe eczema and/or egg allergy to diminish the occurrence of peanut allergy in countries with high peanut consumption. The introduction of heated egg at 6–8 months of age may reduce egg allergy. Infants at high risk of allergy similarly to healthy children should introduce complementary foods taking into account family and cultural preferences.