bluuebunny/crossref_metadata_2025 huggingface dataset:
The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior
Authors: Buonanno Martina , Di Fiore Anna , Langella Emma , D’Ambrosio Katia , Supuran Claudiu T. , Monti Simona Maria , De Simone Giuseppina
Published: May 2018

Although important progress has been achieved in understanding the catalytic mechanism of Carbonic Anhydrases, a detailed picture of all factors influencing the catalytic efficiency of the various human isoforms is still missing. In this paper we report a detailed structural study and theoretical pKa calculations on a hCA VII variant. The obtained data were compared with those already known for another thoroughly investigated cytosolic isoform, hCA II. Our structural studies show that in hCA VII the network of ordered water molecules, which connects the zinc bound solvent molecule to the proton shuttle His64, is altered compared to hCA II, causing a reduction of the catalytic efficiency. Theoretical calculations suggest that changes in solvent network are related to the difference in pKa of the proton shuttle in the two enzymes. The residue that plays a major role in determining the diverse pKa values of the proton shuttle is the one in position four, namely His for hCA II and Gly for hCA VII. This residue is located on the protein surface, outside of the active site cavity. These findings are in agreement with our previous studies that highlighted the importance of histidines on the protein surface of hCA II (among which His4) as crucial residues for the high catalytic efficiency of this isoform.
Bioactivities of Phenolics by Focusing on Suppression of Chronic Diseases: A Review
Authors: Shahidi Fereidoon , Yeo JuDong
Published: May 2018

Phenolics, which are secondary metabolites of plants, exhibit remarkable bioactivities. In this contribution, we have focused on their protective effect against chronic diseases rather than their antioxidant activities, which have been widely discussed in the literature. A large body of epidemiological studies has proven the bioactivities of phenolics in both standard compounds and natural extracts: namely, anticancer, anti-inflammatory, and antibacterial activities as well as reducing diabetes, cardiovascular disease, and neurodegenerative disease. Phenolics also display anti-analgesic, anti-allergic, and anti-Alzheimer’s properties. Thus, this review provides crucial information for better understanding the bioactivities of phenolics in foods and fills a gap in the existing collective and overall knowledge in the field.
The Extracts and Major Compounds Derived from Astragali Radix Alter Mitochondrial Bioenergetics in Cultured Cardiomyocytes: Comparison of Various Polar Solvents and Compounds
Authors: Huang Yun , Kwan Kenneth Kin Leung , Leung Ka Wing , Wang Huaiyou , Kong Xiang Peng , Dong Tina Ting Xia , Tsim Karl Wah Keung
Published: May 2018

Astragali Radix (AR) is a widely used “Qi-invigorating” herb in China for its tonic effects in strengthening biological tissues. The extract of AR contains abundant antioxidants, including astragalosides and isoflavonoids. However, very few reports have systematically measured the effects of the major components of AR on cell mitochondrial bioenergetics. Here, a systemic approach employing an extracellular flux analyzer was developed to evaluate mitochondrial respiration in cultured cardiomyocyte cells H9C2. The effects of different polar extractives, as well as of the major compounds of AR, were compared. The contents of astragaloside IV, calycosin, formononetin, and genistein in the AR extracts obtained by using water, 50% ethanol, and 90% ethanol were measured by liquid chromatograph-mass spectrometer (LC–MS). The antioxidant activities of the AR extracts, as well as of their major compounds, were determined by measuring the free radical scavenging activity and protective effects in tert-butyl hydroperoxide (tBHP)-treated H9C2 cells. By monitoring the real-time oxygen consumption rate (OCR) in tBHP-treated cardiomyocytes with a Seahorse extracellular flux analyzer, the tonic effects of the AR extracts and of their main compounds on mitochondrial bioenergetics were evaluated. AR water extracts possessed the strongest antioxidant activity and protective effects in cardiomyocytes exposed to oxidative stress. The protection was proposed to be mediated via increasing the spare respiratory capacity and mitochondrial ATP production in the stressed cells. The major compounds of AR, astragaloside IV and genistein, showed opposite effects in regulating mitochondrial bioenergetics. These results demonstrate that highly polar extracts of AR, especially astragaloside-enriched extracts, possess better tonic effects on mitochondrial bioenergetics of cultured cardiomyocytes than extracts with a lower polarity.
Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery
Authors: Thomford Nicholas Ekow , Senthebane Dimakatso Alice , Rowe Arielle , Munro Daniella , Seele Palesa , Maroyi Alfred , Dzobo Kevin
Published: May 2018

The therapeutic properties of plants have been recognised since time immemorial. Many pathological conditions have been treated using plant-derived medicines. These medicines are used as concoctions or concentrated plant extracts without isolation of active compounds. Modern medicine however, requires the isolation and purification of one or two active compounds. There are however a lot of global health challenges with diseases such as cancer, degenerative diseases, HIV/AIDS and diabetes, of which modern medicine is struggling to provide cures. Many times the isolation of “active compound” has made the compound ineffective. Drug discovery is a multidimensional problem requiring several parameters of both natural and synthetic compounds such as safety, pharmacokinetics and efficacy to be evaluated during drug candidate selection. The advent of latest technologies that enhance drug design hypotheses such as Artificial Intelligence, the use of ‘organ-on chip’ and microfluidics technologies, means that automation has become part of drug discovery. This has resulted in increased speed in drug discovery and evaluation of the safety, pharmacokinetics and efficacy of candidate compounds whilst allowing novel ways of drug design and synthesis based on natural compounds. Recent advances in analytical and computational techniques have opened new avenues to process complex natural products and to use their structures to derive new and innovative drugs. Indeed, we are in the era of computational molecular design, as applied to natural products. Predictive computational softwares have contributed to the discovery of molecular targets of natural products and their derivatives. In future the use of quantum computing, computational softwares and databases in modelling molecular interactions and predicting features and parameters needed for drug development, such as pharmacokinetic and pharmacodynamics, will result in few false positive leads in drug development. This review discusses plant-based natural product drug discovery and how innovative technologies play a role in next-generation drug discovery.
Nanomotors for Nucleic Acid, Proteins, Pollutants and Cells Detection
Authors: Baeza Alejandro , Vallet-Regí María
Published: May 2018

The development of nanomachines able to operate at the nanoscale, performing complex tasks such as drug delivery, precision surgery, or cell detection, constitutes one of the most important challenges in nanotechnology. The principles that rule the nanoscale are completely different from the ones which govern the macroscopic world and, therefore, the collaboration of scientists with expertise in different fields is required for the effective fabrication of these tiny machines. In this review, the most recent advances carried out in the synthesis and application of nanomachines for diagnosis applications will be presented in order to provide a picture of their potential in the detection of important biomolecules or pathogens in a selective and controlled manner.
Increased Phenacetin Oxidation upon the L382V Substitution in Cytochrome P450 1A2 is Associated with Altered Substrate Binding Orientation
Authors: Huang Qingbiao , Szklarz Grazyna D.
Published: May 2018

Leucine382 of cytochrome P450 1A2 (CYP1A2) plays an important role in binding and O-dealkylation of phenacetin, with the L382V mutation increasing substrate oxidation (Huang and Szklarz, 2010, Drug Metab. Dispos. 38:1039–1045). This was attributed to altered substrate binding orientation, but no direct experimental evidence had been available. Therefore, in the current studies, we employed nuclear magnetic resonance (NMR) longitudinal (T1) relaxation measurements to investigate phenacetin binding orientations within the active site of CYP1A2 wild type (WT) and mutants. Paramagnetic relaxation time (T1P) for each proton of phenacetin was calculated from the T1 value obtained from the enzymes in ferric and ferrous-CO state in the presence of phenacetin, and used to model the orientation of phenacetin in the active site. All aromatic protons of phenacetin were nearly equidistant from the heme iron (6.34–8.03 Å). In contrast, the distance between the proton of the –OCH2– group, which is abstracted during phenacetin oxidation, and the heme iron, was much shorter in the L382V (5.93 Å) and L382V/N312L (5.96 Å) mutants compared to the N312L mutant (7.84 Å) and the wild type enzyme (6.55 Å), consistent with modeling results. These studies provide direct evidence for the molecular mechanism underlying increased oxidation of phenacetin upon the L382V mutation.
Homoleptic Lanthanide Complexes Containing a Redox-Active Ligand and the Investigation of Their Electronic and Photophysical Properties
Authors: Taylor Robin A. , Bonanno Nico M. , Cibian Mihaela , Yadav Jeetkia , Silverstein Harlyn J. , Wiebe Christopher R. , Mauws Cole , Lough Alan J. , Lemaire Martin T.
Published: May 2018

Herein, we describe the preparation, characterization and photophysical properties of neutral lanthanide complexes containing a redox-active ligand 1-(2-pyridylazo)-2-phenanthrol (papl). The complexes likely share similar structural features and bear the formulation Ln(papl)3 (Ln(III) = Gd, Dy, Tb), which is supported by electrospray ionization mass spectrometry, CHN analysis, FT-IR and UV–Vis spectroscopy. The synthesis and structural properties of a related complex, Ho(qapl)3 (where qapl = 10-(8-quinolylazo)-9-phenanthrol), is also reported. The complexes feature ligand-centered redox activity, similar to other reported transition metal complexes with papl. Variable temperature magnetic susceptibility measurements (DC and AC) suggest typical free-ion magnetism without any slow-relaxation dynamics. The photophysical properties of the ligand and complexes were investigated and the results of emission spectroscopy indicate ligand-centered processes.
The Versatile SALSAC Approach to Heteroleptic Copper(I) Dye Assembly in Dye-Sensitized Solar Cells
Authors: Malzner Frederik J. , Housecroft Catherine E. , Constable Edwin C.
Published: May 2018

Surface-bound heteroleptic copper(I) dyes [Cu(Lanchor)(Lancillary)]+ are assembled using the “surfaces-as-ligands, surfaces as complexes” (SALSAC) approach by three different procedures. The anchoring and ancillary ligands chosen are ((6,6′-dimethyl-[2,2′-bipyridine]-4,4′-diyl)-bis(4,1-phenylene))bis(phosphonic acid) (3) and 4,4′-bis(4-iodophenyl)-6,6′-diphenyl-2,2′-bipyridine (4), respectively. In the first SALSAC procedure, the FTO/TiO2 electrode is functionalized with 3 in the first dye bath, and then undergoes ligand exchange with the homoleptic complex [Cu(4)2][PF6] to give surface-bound [Cu(3)(4)]+. In the second method, the FTO/TiO2 electrode functionalized with 3 is immersed in a solution containing a 1:1 mixture of [Cu(MeCN)4][PF6] and 4 to give surface-anchored [Cu(3)(4)]+. In the third procedure, the anchor 3, copper(I) ion and ancillary ligand 4 are introduced in a sequential manner. The performances of the DSSCs show a dependence on the dye assembly procedure. The sequential method leads to the best-performing DSSCs with the highest values of JSC (7.85 and 7.73 mA cm−2 for fully masked cells) and overall efficiencies (η = 2.81 and 2.71%, representing 41.1 and 39.6% relative to an N719 reference DSSC). Use of the 1:1 mixture of [Cu(MeCN)4][PF6] and 4 yields DSSCs with higher VOC values but lower JSC values compared to those assembled using the sequential approach; values of η are 2.27 and 2.29% versus 6.84% for the N719 reference DSSC. The ligand exchange procedure leads to DSSCs that perform relatively poorly. The investigation demonstrates the versatile and powerful nature of SALSAC in preparing dyes for copper-based DSSCs, allowing the photoconversion efficiency of dye to be optimized for a given dye. The SALSAC strategy provides alternative hierarchical strategies where the isolation of the homoleptic [Cu(Lancillary)2]+ is difficult or time-consuming; stepwise strategies are more atom-economic than ligand exchange involving the homoleptic [Cu(Lancillary)2]+.
The Effect of Propeller Scaling Methodology on the Performance Prediction
Authors: Helma Stephan , Streckwall Heinrich , Richter Jan
Published: May 2018

In common model testing practise, the measured values of the self propulsion test are split into the characteristics of the hull, the propeller and into the interaction factors. These coefficients are scaled separately to the respective full scale values and subsequently reassembled to give the power prediction. The accuracy of this power prediction depends inter alia on the accuracy of the measured values and the scaling procedure. An inherent problem of this approach is that it is virtually impossible to verify each single step, because of the complex nature of the underlying problem. In recent years the scaling of the open-water characteristics of propeller model tests attracted a renewed interest, fuelled by competitive tests, which became the norm due to requests of the customer. This paper shows the influence of different scaling procedures on the predicted power. The prediction is compared to the measured trials data and the quality of the prediction is judged. The procedures examined are the standard ITTC 1978 procedure plus derivatives of it, the Meyne method, the strip method developed by the Hamburgische Schiffbau-Versuchsanstalt (HSVA) and the

β
i

-method by Helma.
Repeated Exposition to Mercury (II) Chloride Enhances Susceptibility to S. schenckii sensu stricto Infection in Mice
Authors: Batista-Duharte Alexander , Téllez-Martínez Damiana , Aparecida Jellmayer Juliana , Leandro Portuondo Fuentes Deivys , Campos Polesi Marisa , Martins Baviera Amanda , Zeppone Carlos Iracilda
Published: May 2018

Sporotrichosis is a subcutaneous mycosis that has re-emerged in several tropical and subtropical regions over the last decades. Growing findings suggest that the interplay of host, pathogen, and environment has a determinant effect on the diversity, local distribution, and virulence of Sporothrix schenckii sensu lato, the etiologic agent. Among the environmental factors, we have studied the potential role of repeated exposures to mercury (Hg), a known immunotoxic xenobiotic that is widely used in gold mining regions where sporotrichosis outbreaks are frequently reported. In this study, male Swiss mice received subcutaneous injections of either 300 or 1200 µg/kg of mercury (II) chloride (HgCl2) for 14 days, three times a week. A control group was injected with the vehicle Phosphate Buffered Saline (PBS). Treatment with HgCl2 impaired several immunologic parameters that are involved in host response to Sporothrix infection, such as the production of TNFα, IL-1, and nitric oxide by macrophages, and Th1/Th2/Th17 populations and their respective cytokines. The consequences of these effects on the host resistance to S. schenckii infection were subsequently evaluated. Hg-exposed mice exhibited a higher fungal load in the fungal inoculation site associated to systemic dissemination to spleen and liver on 14 days post-infection and a higher production of specific IgG1 and mild reduction of IgG2a. These findings suggest that repeated exposition to Hg enhances susceptibility to S. schenckii infection in mice and can be a factor associated to sporotrichosis outbreaks in endemic and highly Hg-polluted areas.
Oxidation Resistance and Wetting Behavior of MgO-C Refractories: Effect of Carbon Content
Authors: Liu Zhaoyang , Yu Jingkun , Yang Xin , Jin Endong , Yuan Lei
Published: May 2018

Various carbon contents in the MgO-C refractory were studied with respect to the oxidation resistance and the wetting behavior with slag. The bulk density, apparent porosity, cold crushing strength, oxidation rate, and mass loss rate of the fired MgO-C refractories with various carbon contents were measured and compared. The wetting and penetration behavior of the cured MgO-C refractory with the molten slag were observed in-situ. The contact angle and the shape parameters of molten slag, including the apparent radius, height, and volume were compared. The results showed that the regenerated MgO effectively restrained the carbon oxidation in the MgO-C refractory, which was more evident at the low carbon content refractory. The contact angle between the MgO-C refractory and the molten slag increased as the carbon content increased. The increased contact angle decreased the penetration of the molten slag.
Effect of Graphene Flakes Modified by Dispersion in Surfactant Solutions on the Fluorescence Behaviour of Pyridoxine
Authors: Mateos Rocío , García-Zafra Alba , Vera-López Soledad , San Andrés María Paz , Díez-Pascual Ana María
Published: May 2018

The influence of graphene (G) dispersions in different types of surfactants (anionic, non-ionic, and cationic) on the fluorescence of vitamin B6 (pyridoxine) was studied. Scanning electron microscopy (SEM) was used to evaluate the quality of the G dispersions via measuring their flake thickness. The effect of surfactant type and concentration on the fluorescence intensity was analyzed, and fluorescence quenching effects were found for all of the systems. These turn out to be more intense with increasing both surfactant and G concentrations, albeit they do not depend on the G/surfactant weight ratio. For the same G concentration, the magnitude of the quenching follows the order: cationic > non-ionic ≥ anionic. The cationic surfactants, which strongly adsorb onto G via electrostatic attraction, are the most effective dispersing agents and they enable a stronger interaction with the zwitterionic form of the vitamin; the dispersing power improves with increasing the surfactant chain length. The fit of the experimental data to the Stern-Volmer equation suggests either a static or dynamic quenching mechanism for the dispersions in non-ionic surfactants, while those in ionic surfactants show a combined mechanism. The results that were obtained herein have been compared to those that were reported earlier for the quenching of another vitamin, riboflavin, to elucidate how the change in the vitamin structure influences the interactions with G in the surfactant dispersions.
Antibacterial, Hydrophilic Effect and Mechanical Properties of Orthodontic Resin Coated with UV-Responsive Photocatalyst
Authors: Kuroiwa Akira , Nomura Yoshiaki , Ochiai Tsuyoshi , Sudo Tomomi , Nomoto Rie , Hayakawa Tohru , Kanzaki Hiroyuki , Nakamura Yoshiki , Hanada Nobuhiro
Published: May 2018

Photocatalysts have multiple applications in air purifiers, paints, and self-cleaning coatings for medical devices such as catheters, as well as in the elimination of xenobiotics. In this study, a coating of a UV-responsive photocatalyst, titanium dioxide (TiO2), was applied to an orthodontic resin. The antibacterial activity on oral bacteria as well as hydrophilic properties and mechanical properties of the TiO2-coated resin were investigated. ultraviolet A (UVA) (352 nm) light was used as the light source. Antibacterial activity was examined with or without irradiation. Measurements of early colonizers and cariogenic bacterial count, i.e., colony forming units (CFU), were performed after irradiation for different time durations. Hydrophilic properties were evaluated by water contact angle measurements. While, for the assessment of mechanical properties, flexural strength was measured by the three-point bending test. In the coat(+)light(+) samples the CFU were markedly decreased compared to the control samples. Water contact angle of the coat(+)light(+) samples was decreased after irradiation. The flexural strength of the specimen irradiated for long time showed a higher value than the required standard value, indicating that the effect of irradiation was weak. We suggest that coating with the ultraviolet responsive photocatalyst TiO2 is useful for the development of orthodontic resin with antimicrobial properties.
The Impact of the Implementation Cost of Replication in Data Grid Job Scheduling
Authors: Nazir Babar , Ishaq Faiza , Shamshirband Shahaboddin , Chronopoulos Anthony T.
Published: May 2018

Data Grids deal with geographically-distributed large-scale data-intensive applications. Schemes scheduled for data grids attempt to not only improve data access time, but also aim to improve the ratio of data availability to a node, where the data requests are generated. Data replication techniques manage large data by storing a number of data files efficiently. In this paper, we propose centralized dynamic scheduling strategy-replica placement strategies (CDSS-RPS). CDSS-RPS schedule the data and task so that it minimizes the implementation cost and data transfer time. CDSS-RPS consists of two algorithms, namely (a) centralized dynamic scheduling (CDS) and (b) replica placement strategy (RPS). CDS considers the computing capacity of a node and finds an appropriate location for the job. RPS attempts to improve file access time by using replication on the basis of number of accesses, storage capacity of a computing node, and response time of a requested file. Extensive simulations are carried out to demonstrate the effectiveness of the proposed strategy. Simulation results demonstrate that the replication and scheduling strategies improve the implementation cost and average access time significantly.
The Effect of Three Different Strategies Based on Motor Task Performance on Neuromuscular Fatigue in Healthy Men and Men with Multiple Sclerosis
Authors: Kyguolienė Laura , Skurvydas Albertas , Eimantas Nerijus , Baranauskienė Neringa , Balnytė Renata , Brazaitis Marius
Published: May 2018

Background and objectives: Fatigue during physical activity occurs because of decreased neuromuscular function. The aim of this study was to evaluate the effect of three different strategies based on motor task performance on neuromuscular fatigue in healthy men and men with multiple sclerosis (MS). Materials and Methods: We studied age-matched (18–43 years of age) healthy men (n = 15) and men with MS (n = 9). The inclusion criteria for MS subjects were a Kurtzke Expanded Disability Status Score <4 and a Fatigue Severity Scale Score >5. Both groups performed one of three exercise trials (with at least a 1-week interval between them) of 100 intermittent isometric knee extensions with flexion of 60°. The three different experimental conditions (ECs) were intermittent isometric contraction tasks with constant, predictable, and unpredictable torque target sequences. The variation of maximal voluntary contraction contractions (MVCs) within the strategies was 25%, 50%, and 75%, with a set average of 50%. All of them had a 5 s contraction and a 20 s rest period. The variables were measured: before exercise, after 100 repetitions (100-Reps), and 1 h after exercise. Results: In all EC tasks, the central activation ratio values of healthy and MS subjects were significantly different; however, no significant differences were observed among the EC tasks. No significant differences were seen in electrically induced torque, MVC torque, muscle temperature, subjective sensation of effort, coefficient of variation, or constant and absolute error after 100-Reps and 1 h after exercise between the two groups and in all EC tasks. Conclusions: Men with MS experienced higher central motor fatigue than did healthy men, but this had no effect on the variability, accuracy, or force sensation of the movements performed.
Risk Factors, Co-Morbidities and Treatment of In-Hospital Patients with Atrial Fibrillation in Bulgaria
Authors: Naydenov Stefan , Runev Nikolay , Manov Emil , Vasileva Daniela , Rangelov Yavor , Naydenova Nadya
Published: May 2018

Background and objectives: Atrial fibrillation (AF) is the most common arrhythmia worldwide and a major risk factor for cardiovascular complications. Our study aimed to investigate the prevalence, risk factors, demographics, co-morbidities and treatment of AF among in-hospital Bulgarian patients. Materials and Methods: A cross-sectional study including 1027 consecutive patients (n = 516, 50.2% males) with a mean age of 67.6 ± 11.3 years, hospitalized for any reason from 1 May until 31 December 2016 in one of the largest internal clinics in Bulgaria, was carried out. Results: Atrial fibrillation was diagnosed in 634 (61.7%) patients. The prevalence of modifiable AF risk factors was as follows: heart failure, 98.9%; arterial hypertension (HTN), 93.5%; valvular heart disease, 40.9%; chronic lung disease, 26.7%; type 2 diabetes mellitus, 24.9%; thyroid disease, 16.9%; and ischemic heart disease, 11.2%. Univariate logistic regression analysis identified the following risk factors with strongest impact on AF: left ventricular ejection fraction <40% (odds ratio (OR) = 1.951, 95% confidence interval (CI) 1.208–3.151), valvular heart disease (OR = 1.926, 95% CI 1.134–3.862), left ventricular ejection fraction 40–49% (OR = 1.743, 95% CI 1.248–3.017), HTN (OR = 1.653, 95% CI 1.092–3.458). History of ischemic stroke was present in 14.4% of the patients with AF. Oral antithrombotic drugs were prescribed to 85.7%: direct oral anticoagulants to 37.9%, vitamin K antagonists to 43.2%, and antiplatelets to 4.6%. Heart rate control medications and antiarrhythmics were prescribed to 75.4% and 40.2%, respectively. Conclusions: Atrial fibrillation was highly prevalent among our study population. Reduced and mid-range left ventricular ejection fraction, valvular heart disease, and HTN were the risk factors with the strongest association with AF. Although a large number of our AF patients were administered antithrombotic treatment, the prescription rate of oral anticoagulants should be further improved.
Effect of Initial Microstructures on Hot Deformation Behavior and Workability of Ti2AlNb-Based Alloy
Authors: Wang Sibing , Xu Wenchen , Zong Yingying , Zhong Xunmao , Shan Debin
Published: May 2018

In order to study the effect of initial microstructures on the hot deformation behavior and workability of Ti2AlNb alloy, the isothermal compression experiments of as-rolled and solution-treated Ti–19Al–23Nb–0.5Mo alloys were conducted in the temperature range of 900–1100 °C and strain rate range of 0.001–10 s−1. Subsequently, the processing maps of different state materials were established based on dynamic material model (DMM) and Prasad’s instability criterion. The suitable regions for hot working were determined in the processing maps, which was verified through high-temperature tensile test. The results show that although the solution-treatment could be used to improve the ductility of as-rolled Ti2AlNb alloy at room temperature, the as-rolled microstructure exhibited better hot workability at high temperature compared to the solution-treated microstructure.
Development of Multiple Capsule Robots in Pipe
Authors: Guo Shuxiang , Yang Qiuxia , Bai Luchang , Zhao Yan
Published: May 2018

Swallowable capsule robots which travel in body cavities to implement drug delivery, minimally invasive surgery, and diagnosis have provided great potential for medical applications. However, the space constraints of the internal environment and the size limitations of the robots are great challenges to practical application. To address the fundamental challenges of narrow body cavities, a different-frequency driven approach for multiple capsule robots with screw structure manipulated by external electromagnetic field is proposed in this paper. The multiple capsule robots are composed of driven permanent magnets, joint permanent magnets, and a screw body. The screw body generates a propulsive force in a fluidic environment. Moreover, robots can form new constructions via mutual docking and release. To provide manipulation guidelines for active locomotion, a dynamic model of axial propulsion and circumferential torque is established. The multiple start and step-out frequencies for multiple robots are defined theoretically. Moreover, the different-frequency driven approach based on geometrical parameters of screw structure and the overlap angles of magnetic polarities is proposed to drive multiple robots in an identical electromagnetic field. Finally, two capsule robots were prototyped and experiments in a narrow pipe were conducted to verify the different motions such as docking, release, and cooperative locomotion. The experimental results demonstrated the validity of the driven approach for multiple capsule robots in narrow body cavities.
Numerical Investigation of DC Dielectrophoretic Deformable Particle–Particle Interactions and Assembly
Authors: Ji Xiang , Xu Li , Zhou Teng , Shi Liuyong , Deng Yongbo , Li Jie
Published: May 2018

In a non-uniform electric field, the surface charge of the deformable particle is polarized, resulting in the dielectrophoretic force acting on the surface of the particle, which causes the electrophoresis. Due to dielectrophoretic force, the two deformable particles approach each other, and distort the flow field between them, which cause the hydrodynamic force correspondingly. The dielectrophoresis (DEP) force and the hydrodynamic force together form the net force acting on the particles. In this paper, based on a thin electric double layer (EDL) assumption, we developed a mathematical model under the arbitrary Lagrangian–Eulerian (ALE) numerical approach method to simulate the flow field, electric field, and deformable particles simultaneously. Simulation results show that, when two deformable particles’ distances are in a certain range, no matter the initial position of the two particles immersed in the fluid field, the particles will eventually form a particle–particle chain parallel to the direction of the electric field. In actual experiments, the biological cells used are deformable. Compared with the previous study on the DEP motion of the rigid particles, the research conclusion of this paper provides a more rigorous reference for the design of microfluidics.
Hydrophobic Amino Acid Content in Onions as Potential Fingerprints of Geographical Origin: The Case of Rossa da Inverno sel. Rojo Duro
Authors: Ianni Federica , Lisanti Antonella , Marinozzi Maura , Camaioni Emidio , Pucciarini Lucia , Massoli Andrea , Sardella Roccaldo , Concezzi Luciano , Natalini Benedetto
Published: May 2018

In this study, we were interested in comparing the amino acid profile in a specific variety of onion, Rossa da inverno sel. Rojo Duro, produced in two different Italian sites: the Cannara (Umbria region) and Imola (Emilia Romagna region) sites. Onions were cultivated in a comparable manner, mostly in terms of the mineral fertilization, seeding, and harvesting stages, as well as good weed control. Furthermore, in both regions, the plants were irrigated by the water sprinkler method and subjected to similar temperature and weather conditions. A further group of Cannara onions that were grown by micro-irrigation was also evaluated. After the extraction of the free amino acid mixture, an ion-pairing reversed-phase (IP-RP) HPLC method allowed for the separation and the evaporative light scattering detection of almost all the standard proteinogenic amino acids. However, only the peaks corresponding to leucine (Leu), phenylalanine (Phe), and tryptophan (Trp), were present in all the investigated samples and they were unaffected from the matrix interfering peaks. The use of the beeswarm/box plots revealed that the content of Leu and Phe were markedly influenced by the geographical origin of the onions (with *** p << 0.001 for Phe), but not by the irrigation procedure. The applied HPLC method was validated in terms of the specificity, the linearity (a logarithm transformation was applied for the method linearization), the limit of detection (LOD) and limit of quantification (LOQ), the accuracy (≥90% for inter-day Recovery percentage), and the precision (≤10.51 for the inter-day RSD percentage), before the quantitative assay of Leu, Phe, and Trp in the onion samples. These preliminary findings are a good starting point for considering the quantity of the specific amino acids in the Rossa da inverno sel. Rojo Duro variety as a fingerprint of its geographical origin.
Whole Cells as Biocatalysts in Organic Transformations
Authors: Garzón-Posse Fabián , Becerra-Figueroa Liliana , Hernández-Arias José , Gamba-Sánchez Diego
Published: May 2018

Currently, the power and usefulness of biocatalysis in organic synthesis is undeniable, mainly due to the very high enantiomeric excess reached using enzymes, in an attempt to emulate natural processes. However, the use of isolated enzymes has some significant drawbacks, the most important of which is cost. The use of whole cells has emerged as a useful strategy with several advantages over isolated enzymes; for this reason, modern research in this field is increasing, and various reports have been published recently. This review surveys the most recent developments in the enantioselective reduction of carbon-carbon double bonds and prochiral ketones and the oxidation of prochiral sulfides using whole cells as biocatalytic systems.
Depsidomycins B and C: New Cyclic Peptides from a Ginseng Farm Soil-Derived Actinomycete
Authors: Kwon Yun , Byun Woong Sub , Kim Byung-Yong , Song Myoung Chong , Bae Munhyung , Yoon Yeo Joon , Shin Jongheon , Lee Sang Kook , Oh Dong-Chan
Published: May 2018

LC/MS-based chemical profiling of a ginseng farm soil-derived actinomycete strain, Streptomyces sp. BYK1371, enabled the discovery of two new cyclic heptapeptides, depsidomycins B and C (1 and 2), each containing two piperazic acid units and a formyl group at their N-terminus. The structures of 1 and 2 were elucidated by a combination of spectroscopic and chemical analyses. These new compounds were determined to possess d-leucine, d-threonine, d-valine, and S-piperazic acid based on the advanced Marfey’s method and a GITC (2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl isothiocyanate) derivatization of their hydrolysates, followed by LC/MS analysis. Depsidomycins B and C displayed significant antimetastatic activities against metastatic breast cancer cells (MDA-MB-231).
Nutrients Composition in Fit Snacks Made from Ostrich, Beef and Chicken Dried Meat
Authors: Zdanowska-Sąsiadek Żaneta , Marchewka Joanna , Horbańczuk Jarosław , Wierzbicka Agnieszka , Lipińska Paulina , Jóźwik Artur , Atanasov Atanas , Huminiecki Łukasz , Sieroń Aleksander , Sieroń Karolina , Strzałkowska Nina , Stelmasiak Adrian , De Smet Stefaan , Van Hecke Thomas , Hoffman Louwrens
Published: May 2018

The aim of the study was to compare three types of meat snacks made from ostrich, beef, and chicken meat in relation to their nutrients content including fat, fatty acids, heme iron, and peptides, like anserine and carnosine, from which human health may potentially benefit. Dry meat samples were produced, from one type of muscle, obtained from ostrich (m. ambiens), beef (m. semimembranosus), and broiler chicken meat (m. pectoralis major). The composition of dried ostrich, beef, and chicken meat, with and without spices was compared. We show that meat snacks made from ostrich, beef, and chicken meat were characterized by high concentration of nutrients including proteins, minerals (heme iron especially in ostrich, than in beef), biologically active peptides (carnosine—in beef, anserine—in ostrich then in chicken meat). The, beneficial to human health, n-3 fatty acids levels differed significantly between species. Moreover, ostrich jerky contained four times less fat as compared to beef and half of that in chicken. In conclusion we can say that dried ostrich, beef, and chicken meat could be a good source of nutritional components.
Theoretical Investigations on Mechanisms and Pathways of C2H5O2 with BrO Reaction in the Atmosphere
Authors: Lu Chenggang , Tang Yizhen , Zhang Wei , Qu Xunshuai , Fu Zhihao
Published: May 2018

In this work, feasible mechanisms and pathways of the C2H5O2 + BrO reaction in the atmosphere were investigated using quantum chemistry methods, i.e., QCISD(T)/6-311++G(2df,2p)//B3LYP/6-311++G(2df,2p) levels of theory. Our result indicates that the title reaction occurs on both the singlet and triplet potential energy surfaces (PESs). Kinetically, singlet C2H5O3Br and C2H5O2BrO were dominant products under the atmospheric conditions below 300 K. CH3CHO2 + HOBr, CH3CHO + HOBrO, and CH3CHO + HBrO2 are feasible to a certain extent thermodynamically. Because of high energy barriers, all products formed on the triplet PES are negligible. Moreover, time-dependent density functional theory (TDDFT) calculation implies that C2H5O3Br and C2H5O2BrO will photolyze under the sunlight.
Dicyanamide Bridged Cu(II)36-Metallacrown-6 Complex with 1,4,7-Triisopropyl-1,4,7-Triazacyclononane and Binding Properties with DNA
Authors: Yang Yong-Sheng , Liu Li-Jun , Ju Hai-Yan , Liu Xiu-Ying , Li Yu-Guang , Yan Shi-Ping
Published: May 2018

A novel 36-metallacrown-6 complex [CuL(N(CN)2)(PF6)]6∙0.5H2O 1 was achieved using a tridendate ligand, 1,4,7-triisopropyl-1,4,7-triazacyclononane (L), and a flexible ligand, dicyanamide in MeOH. The μ1,5 bridging models of the dicyanamide ligand linked the macrocycle to form in a specific size with the chair conformation. The anion was important to form this 36-metallacrown-6 complex, as change was obtained with the larger anion BPh4−, binuclear copper compound 2. The magnetic property indicates that slightly ferromagnetic interactions resulted from a superexchange mechanism. DNA binding properties were also studied. UV and fluorescence spectra showed that complex 1 could bind with DNA.
An Electron-Transporting Thiazole-Based Polymer Synthesized Through Direct (Hetero)Arylation Polymerization
Authors: Chávez Patricia , Bulut Ibrahim , Fall Sadiara , Ibraikulov Olzhas A. , Chochos Christos L. , Bartringer Jérémy , Heiser Thomas , Lévêque Patrick , Leclerc Nicolas
Published: May 2018

In this work, a new n-type polymer based on a thiazole-diketopyrrolopyrrole unit has been synthesized through direct (hetero)arylation polycondensation. The molar mass has been optimized by systematic variation of the the monomer concentration. Optical and electrochemical properties have been studied. They clearly suggested that this polymer possess a high electron affinity together with a very interesting absorption band, making it a good non-fullerene acceptor candidate. As a consequence, its charge transport and photovoltaic properties in a blend with the usual P3HT electron-donating polymer have been investigated.
Enzymatic Synthesis of a Novel Pterostilbene α-Glucoside by the Combination of Cyclodextrin Glucanotransferase and Amyloglucosidase
Authors: González-Alfonso José L. , Rodrigo-Frutos David , Belmonte-Reche Efres , Peñalver Pablo , Poveda Ana , Jiménez-Barbero Jesús , Ballesteros Antonio O. , Hirose Yoshihiko , Polaina Julio , Morales Juan C. , Fernández-Lobato María , Plou Francisco J.
Published: May 2018

The synthesis of a novel α-glucosylated derivative of pterostilbene was performed by a transglycosylation reaction using starch as glucosyl donor, catalyzed by cyclodextrin glucanotransferase (CGTase) from Thermoanaerobacter sp. The reaction was carried out in a buffer containing 20% (v/v) DMSO to enhance the solubility of pterostilbene. Due to the formation of several polyglucosylated products with CGTase, the yield of monoglucoside was increased by the treatment with a recombinant amyloglucosidase (STA1) from Saccharomyces cerevisiae (var. diastaticus). This enzyme was not able to hydrolyze the linkage between the glucose and pterostilbene. The monoglucoside was isolated and characterized by combining ESI-MS and 2D-NMR methods. Pterostilbene α-d-glucopyranoside is a novel compound. The α-glucosylation of pterostilbene enhanced its solubility in water to approximately 0.1 g/L. The α-glucosylation caused a slight loss of antioxidant activity towards ABTS˙+ radicals. Pterostilbene α-d-glucopyranoside was less toxic than pterostilbene for human SH-S5Y5 neurons, MRC5 fibroblasts and HT-29 colon cancer cells, and similar for RAW 264.7 macrophages.
The ABP Dendrimer, a Drug-Candidate against Inflammatory Diseases That Triggers the Activation of Interleukin-10 Producing Immune Cells
Authors: Fruchon Séverine , Poupot Rémy
Published: May 2018

The ABP dendrimer, which is built on a phosphorus-based scaffold and bears twelve azabisphosphonate groups at its surface, is one of the dendrimers that has been shown to display immuno-modulatory and anti-inflammatory effects towards the human immune system. Its anti-inflammatory properties have been successfully challenged in animal models of inflammatory disorders. In this review, we trace the discovery and the evaluation of the therapeutic effects of the ABP dendrimer in three different animal models of both acute and chronic inflammatory diseases. We emphasize that its therapeutic effects rely on the enhancement of the production of Interleukin-10, the paradigm of anti-inflammatory cytokines, by different subsets of immune cells, such as monocytes/macrophages and CD4+ T lymphocytes.
High Temperature Flow Behavior of Ultra-Strong Nanoporous Au assessed by Spherical Nanoindentation
Authors: Leitner Alexander , Maier-Kiener Verena , Kiener Daniel
Published: May 2018

Nanoporous metals have attracted attention in various research fields in the past years since their unique microstructures make them favorable for catalytic, sensory or microelectronic applications. Moreover, the refinement of the ligaments down to the nanoscale leads to an exceptionally high strength. To guarantee a smooth implementation of nanoporous metals into modern devices their thermo-mechanical behavior must be properly understood. Within this study the mechanical flow properties of nanoporous Au were investigated at elevated temperatures up to 300 °C. In contrast to the conventional synthesis by dealloying of AuAg precursors, the present foam was fabricated via severe plastic deformation of an AuFe nanocomposite and subsequent selective etching of iron, resulting in Au ligaments consisting of nanocrystalline grains, while remaining Fe impurities excessively stabilize the microstructure. A recently developed spherical nanoindentation protocol was used to extract the stress-strain curves of nanoporous Au. A tremendous increase of yield strength due to ligament and grain refinement was observed, which is largely maintained at high temperatures. Reviewing literature will evidence that the combined nanocrystalline and nanoporous structure leads to remarkable mechanical properties. Furthermore, comparison to a previous Berkovich nanoindentation study outlines the conformity of different indentation techniques.
Amorphization Optimization of Ge2Sb2Te5 Media for Electrical Probe Memory Applications
Authors: Wang Lei , Yang Cihui , Wen Jing , Xiong Bangshu
Published: May 2018

Electrical probe memory using Ge2Sb2Te5 media has been considered a promising candidate in the future archival storage market due to its potential for ultra-high density and long data retention time. However, most current research efforts have been devoted to the writing of crystalline bits using electrical probe memory while ignoring the viability of writing amorphous bits. Therefore, this paper proposes a physical, realistic, full three-dimensional model to optimize the practicable media stack by spatially and temporally calculating temperature distributions inside the active media during the writing of amorphous bits. It demonstrates the feasibility of using an optimized device that follows a Silicon/Titanium Nitride/Ge2Sb2Te5/Diamond-Like Carbon design with appropriate electro-thermal properties and thickness to achieve ultra-high density, low energy consumption, and a high data rate without inducing excessive temperature. The ability to realize multi-bit recording and rewritability using the designed device is also proven, making it attractive and suitable for practicable applications.
α-Chaconine and α-Solanine Inhibit RL95-2 Endometrium Cancer Cell Proliferation by Reducing Expression of Akt (Ser473) and ERα (Ser167)
Authors: Karaboğa Arslan Ayşe Kübra , Yerer Mükerrem Betül
Published: May 2018

The aim of this study is to investigate the potential inhibitory effect of α-chaconine and α-solanine on RL95-2 estrogen receptor (ER) positive human endometrial cancer cell line and to identify the effect of these glycoalkaloids on the Akt signaling and ERα. The cell proliferation profiles and the cytotoxicity studies were performed by Real-Time Cell Analyzer (xCELLigence) and compared with Sulphorhodamine B (SRB) assay. The effects of α-chaconine (2.5, 5, 10 µM), α-solanine (20, 30, 50 µM), API-1 (25 µM) and MPP (20 µM) effects on Akt (Ser473) and ERα (Ser167) expressions evaluated by Western blot and qPCR method. Their IC50 values were as α-chaconine (4.72 µM) < MPP (20.01 µM) < α-solanine (26.27 µM) < API-1 (56.67 µM). 10 μM α-chaconine and 20, 30 and 50 μM α-solanine were effective in decreasing p-Akt(Ser473)/Akt ratio compared to positive control API-1. When the p-ERα/ERα ratios were evaluated, it was observed that α-chaconine (2.5, 5, 10 μM) and α-solanine (50 μM) were as effective as the specific ERα inhibitor MPP in reducing the ratio of p-ERα/ERα compared to the control group. In conclusion, it has been shown that the proliferation of α-chaconine and α-solanine in human endometrial carcinoma cells reduces the expression and activity of the Akt and ERα signaling pathway.
Women’s Engagement with Humanist, Spiritual and Religious Meaning-Making in Prison: A Longitudinal Study of Its Impact on Recidivism
Authors: Duncan Jeff , Stansfield Richard , Hall Steve , O’Connor Tom
Published: May 2018

This study explores the long-term impact on recidivism of the engagement of over 300 women prisoners with humanist, spiritual and religious ways of making meaning during their incarceration. Prison chaplains and community volunteers in the Oregon Department of Corrections offered a diverse range of humanist, spiritual and religious (HSR) events to the women, and 95% of them voluntarily engaged at varied levels with an average participation rate of about 3 h per month. The women who attended most often were motivated to do so by intrinsic or meaning-driven reasons and were more likely to have listened to a religious program on radio or TV in the six months before their incarceration. Controlling for ethnicity, risk of recidivism, participation in other programs (education, substance use, cognitive and work), length of time incarcerated, and infractions during incarceration we found an overall significantly positive impact of HSR involvement on recidivism during the first year after release and over a 13-year follow-up period post prison. The impact was concentrated among the 20% of women who attended most frequently (4 or more hours per month) indicating a dosage and consistency of practice effect. Prison chaplains and volunteers make a valuable contribution to the lives of women in prison and to the correctional system; the pro-social support/modeling and diverse help with meaning-making they offer in prison has a positive influence on the women’s journey of desistance in the community after prison.