bluuebunny/crossref_metadata_2025 huggingface dataset:
Value at Risk Estimation Using the GARCH-EVT Approach with Optimal Tail Selection
Authors: Echaust Krzysztof , Just Małgorzata
Published: January 2020

A conditional Extreme Value Theory (GARCH-EVT) approach is a two-stage hybrid method that combines a Generalized Autoregressive Conditional Heteroskedasticity (GARCH) filter with the Extreme Value Theory (EVT). The approach requires pre-specification of a threshold separating distribution tails from its middle part. The appropriate choice of a threshold level is a demanding task. In this paper we use four different optimal tail selection algorithms, i.e., the path stability method, the automated Eye-Ball method, the minimization of asymptotic mean squared error method and the distance metric method with a mean absolute penalty function, to estimate out-of-sample Value at Risk (VaR) forecasts and compare them to the fixed threshold approach. Unlike other studies, we update the optimal fraction of the tail for each rolling window of the returns. The research objective is to verify to what extent optimization procedures can improve VaR estimates compared to the fixed threshold approach. Results are presented for a long and a short position applying 10 world stock indices in the period from 2000 to June 2019. Although each approach generates different threshold levels, the GARCH-EVT model produces similar Value at Risk estimates. Therefore, no improvement of VaR accuracy may be observed relative to the conservative approach taking the 95th quantile of returns as a threshold.
Quantum Linear Scalar Fields with Time Dependent Potentials: Overview and Applications to Cosmology
Authors: Cortez Jerónimo , Mena Marugán Guillermo A. , Velhinho José
Published: January 2020

In this work, we present an overview of uniqueness results derived in recent years for the quantization of Gowdy cosmological models and for (test) Klein-Gordon fields minimally coupled to Friedmann-Lemaître-Robertson-Walker, de Sitter, and Bianchi I spacetimes. These results are attained by imposing the criteria of symmetry invariance and of unitary implementability of the dynamics. This powerful combination of criteria allows not only to address the ambiguity in the representation of the canonical commutation relations, but also to single out a preferred set of fundamental variables. For the sake of clarity and completeness in the presentation (essentially as a background and complementary material), we first review the classical and quantum theories of a scalar field in globally hyperbolic spacetimes. Special emphasis is made on complex structures and the unitary implementability of symplectic transformations.
Nonlocal Reaction–Diffusion Model of Viral Evolution: Emergence of Virus Strains
Authors: Bessonov Nikolai , Bocharov Gennady , Meyerhans Andreas , Popov Vladimir , Volpert Vitaly
Published: January 2020

This work is devoted to the investigation of virus quasi-species evolution and diversification due to mutations, competition for host cells, and cross-reactive immune responses. The model consists of a nonlocal reaction–diffusion equation for the virus density depending on the genotype considered to be a continuous variable and on time. This equation contains two integral terms corresponding to the nonlocal effects of virus interaction with host cells and with immune cells. In the model, a virus strain is represented by a localized solution concentrated around some given genotype. Emergence of new strains corresponds to a periodic wave propagating in the space of genotypes. The conditions of appearance of such waves and their dynamics are described.
Jacob’s Ladder: Prime Numbers in 2D
Authors: Fraile Alberto , Martínez Roberto , Fernández Daniel
Published: January 2020

Prime numbers are one of the most intriguing figures in mathematics. Despite centuries of research, many questions remain still unsolved. In recent years, computer simulations are playing a fundamental role in the study of an immense variety of problems. In this work, we present a simple representation of prime numbers in two dimensions that allows us to formulate a number of conjectures that may lead to important avenues in the field of research on prime numbers. In particular, although the zeroes in our representation grow in a somewhat erratic, hardly predictable way, the gaps between them present a remarkable and intriguing property: a clear exponential decay in the frequency of gaps vs. gap size. The smaller the gaps, the more frequently they appear. Additionally, the sequence of zeroes, despite being non-consecutive numbers, contains a number of primes approximately equal to n / log n , n being the number of terms in the sequence.
Evaluation of an Analogue of the Marine ε-PLL Peptide as a Ligand of G-quadruplex DNA Structures
Authors: Marzano Maria , Falanga Andrea Patrizia , Marasco Daniela , Borbone Nicola , D’Errico Stefano , Piccialli Gennaro , Roviello Giovanni Nicola , Oliviero Giorgia
Published: January 2020

ε-poly-l-Lysine (ε-PLL) peptide is a product of the marine bacterium Bacillus subtilis with antibacterial and anticancer activity largely used worldwide as a food preservative. ε-PLL and its synthetic analogue α,ε-poly-l-lysine (α,ε-PLL) are also employed in the biomedical field as enhancers of anticancer drugs and for drug and gene delivery applications. Recently, several studies reported the interaction between these non-canonical peptides and DNA targets. Among the most important DNA targets are the DNA secondary structures known as G-quadruplexes (G4s) which play relevant roles in many biological processes and disease-related mechanisms. The search for novel ligands capable of interfering with G4-driven biological processes elicits growing attention in the screening of new classes of G4 binders. In this context, we have here investigated the potential of α,ε-PLL as a G4 ligand. In particular, the effects of the incubation of two different models of G4 DNA, i.e., the parallel G4 formed by the Pu22 (d[TGAGGGTGGGTAGGGTGGGTAA]) sequence, a mutated and shorter analogue of the G4-forming sequence known as Pu27 located in the promoter of the c-myc oncogene, and the hybrid parallel/antiparallel G4 formed by the human Tel22 (d[AGGGTTAGGGTTAGGGTTAGGG]) telomeric sequence, with α,ε-PLL are discussed in the light of circular dichroism (CD), UV, fluorescence, size exclusion chromatography (SEC), and surface plasmon resonance (SPR) evidence. Even though the SPR results indicated that α,ε-PLL is capable of binding with µM affinity to both the G4 models, spectroscopic and SEC investigations disclosed significant differences in the structural properties of the resulting α,ε-PLL/G4 complexes which support the use of α,ε-PLL as a G4 ligand capable of discriminating among different G4 topologies.
Acoustic Properties of 316L Stainless Steel Lattice Structures Fabricated via Selective Laser Melting
Authors: Sun Xiaojing , Jiang Fengchun , Wang Jiandong
Published: January 2020

A bulk specimen and two different lattice sandwich structures composed of 316L stainless steel were fabricated via selective laser melting. This study analysed the acoustic properties, including sound insulation and sound absorption, of the three kinds of structures, which were produced via selective laser melting under the same process parameters. The results showed that the difference in the unit structures, rather than microstructural difference, was the main reason for the difference in acoustic properties between the samples. Under the same process parameters, the microstructure of the different structures had the same cell structure. However, the sound absorption properties of the lattice sandwich structures were better than those of the bulk sample in the measured frequency range of 1–6.3 kHz. The lattice sandwich structure with 2.5 × 2.5 × 2.5 mm3 unit structures exhibited excellent sound insulation properties in the frequency range of 1–5 kHz.
Thermal Fatigue Properties of H13 Hot-Work Tool Steels Processed by Selective Laser Melting
Authors: Wang Mei , Wu Yan , Wei Qingsong , Shi Yusheng
Published: January 2020

Currently, selective laser melting (SLM) is gaining widespread popularity as an alternative manufacturing technique for complex and customized parts, especially for hot-work and injection molding applications. In the present study, as the major factors for the failure of H13 hot-work die steels during hot-working, thermal fatigue (TF) properties of H13 processed by SLM and a conventional technique were investigated. TF tests (650 °C/30 °C) were conducted on the as-selective laser melted (As-SLMed), thermally treated selective laser melted (T-SLMed), and forged (Forged) H13. Results show that the As-SLMed H13 exhibited the best TF resistance properties among the specimens herein (the shortest total crack length and highest hardness of 687 ± 12 HV5), whereas the Forged H13 exhibited the poorest TF resistance properties (the longest total crack length and lowest hardness of 590 ± 11 HV5) after TF tests. TF resistance properties were closely related to the initial and final hardness. Further microstructural investigations revealed that the typical cell-like substructures, increased amount of retained austenite, and most importantly, refined grain size were the main reasons for the improved TF resistance properties in the As-SLMed H13 compared to the Forged counterparts.
Failure Mechanisms in Alloys
Authors: Pantazopoulos George A.
Published: January 2020

The era of lean production and excellence in manufacturing, while advancing with sustainable development, demands the rational utilization of raw materials and energy resources, adopting cleaner and environmentally friendly industrial processes [...]
Rules and Exceptions: The Role of Chromosomal ParB in DNA Segregation and Other Cellular Processes
Authors: Kawalek Adam , Wawrzyniak Pawel , Bartosik Aneta Agnieszka , Jagura-Burdzy Grazyna
Published: January 2020

The segregation of newly replicated chromosomes in bacterial cells is a highly coordinated spatiotemporal process. In the majority of bacterial species, a tripartite ParAB-parS system, composed of an ATPase (ParA), a DNA-binding protein (ParB), and its target(s) parS sequence(s), facilitates the initial steps of chromosome partitioning. ParB nucleates around parS(s) located in the vicinity of newly replicated oriCs to form large nucleoprotein complexes, which are subsequently relocated by ParA to distal cellular compartments. In this review, we describe the role of ParB in various processes within bacterial cells, pointing out interspecies differences. We outline recent progress in understanding the ParB nucleoprotein complex formation and its role in DNA segregation, including ori positioning and anchoring, DNA condensation, and loading of the structural maintenance of chromosome (SMC) proteins. The auxiliary roles of ParBs in the control of chromosome replication initiation and cell division, as well as the regulation of gene expression, are discussed. Moreover, we catalog ParB interacting proteins. Overall, this work highlights how different bacterial species adapt the DNA partitioning ParAB-parS system to meet their specific requirements.
Growth Mode and Physiological State of Cells Prior to Biofilm Formation Affect Immune Evasion and Persistence of Staphylococcus aureus
Authors: Savijoki Kirsi , Miettinen Ilkka , Nyman Tuula A. , Kortesoja Maarit , Hanski Leena , Varmanen Pekka , Fallarero Adyary
Published: January 2020

The present study investigated Staphylococcus aureus ATCC25923 surfaceomes (cell surface proteins) during prolonged growth by subjecting planktonic and biofilm cultures (initiated from exponential or stationary cells) to label-free quantitative surfaceomics and phenotypic confirmations. The abundance of adhesion, autolytic, hemolytic, and lipolytic proteins decreased over time in both growth modes, while an opposite trend was detected for many tricarboxylic acid (TCA) cycle, reactive oxygen species (ROS) scavenging, Fe-S repair, and peptidolytic moonlighters. In planktonic cells, these changes were accompanied by decreasing and increasing adherence to hydrophobic surface and fibronectin, respectively. Specific RNA/DNA binding (cold-shock protein CspD and ribosomal proteins) and the immune evasion (SpA, ClfA, and IsaB) proteins were notably more abundant on fully mature biofilms initiated with stationary-phase cells (SDBF) compared to biofilms derived from exponential cells (EDBF) or equivalent planktonic cells. The fully matured SDBF cells demonstrated higher viability in THP-1 monocyte/macrophage cells compared to the EDBF cells. Peptidoglycan strengthening, specific urea-cycle, and detoxification enzymes were more abundant on planktonic than biofilm cells, indicating the activation of growth-mode specific pathways during prolonged cultivation. Thus, we show that S. aureus shapes its surfaceome in a growth mode-dependent manner to reach high levofloxacin tolerance (>200-times the minimum biofilm inhibitory concentration). This study also demonstrates that the phenotypic state of the cells prior to biofilm formation affects the immune-evasion and persistence-related traits of S. aureus.
Rapid Detection of Echinocandins Resistance by MALDI-TOF MS in Candida parapsilosis Complex
Authors: Roberto Ana Emília M. , Xavier Danilo E. , Vidal Esteban E. , Vidal Cláudia Fernanda de L. , Neves Rejane P. , Lima-Neto Reginaldo G. de
Published: January 2020

Mass spectrometry by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) was used to identify and differentiate the pattern of susceptibility of clinical isolates of Candida parapsilosis complex. 17 C. parapsilosis sensu stricto, 2 C. orthopsilosis, and 1 C. metapsilosis strains were obtained from blood cultures, and three different inocula (103, 105, and 107 CFU/mL) were evaluated against three echinocandins at concentrations ranging from 0.03 to 16 µg/mL after incubation of 1 h, 2 h, and 3 h. Drug-free control was used. The spectra obtained at these concentrations were applied to generate composite correlation index (CCI) matrices for each yeast individually. After cross correlations and autocorrelations of each spectra with null (zero) and maximal (16) concentrations, the CCI was used as separation parameter among spectra. Incubation time and inoculum were critical factors to reach higher precision and reliability of this trial. With an incubation time of 3 h and inoculum of 107 CFU/mL, it was possible to determine the breakpoint of the clinical yeasts by MALDI-TOF that presented high agreement with the clinical laboratory standard institute (CLSI) reference method. Herein, we show that mass spectrometry using the MALDI-TOF technique is powerful when it exploits antifungal susceptibility testing assays.
Fluid Inclusion Characteristics of the Kışladağ Porphyry Au Deposit, Western Turkey
Authors: Hanilçi Nurullah , Bozkaya Gülcan , Banks David A. , Bozkaya Ömer , Prokofiev Vsevolod , Öztaş Yücel
Published: January 2020

The deposit occurs in a mid-Miocene monzonite magmatic complex represented by three different intrusions, namely Intrusion 1 (INT#1), Intrusion 2 (INT#2, INT #2A), and Intrusion 3 (INT#3). Gold mineralization is hosted in all intrusions, but INT#1 is the best mineralized body followed by INT#2. SEM-CL imaging has identified two different veins (V1 and V2) and four distinct generations of quartz formation in the different intrusions. These are: (i) CL-light gray, mosaic-equigranular quartz (Q1), (ii) CL-gray or CL-bright quartz (Q2) that dissolved and was overgrown on Q1, (iii) CL-dark and CL-gray growth zoned quartz (Q3), and (iv) CL-dark or CL-gray micro-fracture quartz fillings (Q4). Fluid inclusion studies show that the gold-hosted early phase Q1 quartz of V1 and V2 veins in INT#1 and INT#2 was precipitated at high temperatures (between 424 and 594 °C). The coexisting and similar ranges of Th values of vapor-rich (low salinity, from 1% to 7% NaCl equiv.) and halite-bearing (high salinity: >30% NaCl) fluid inclusions in Q1 indicates that the magmatic fluid had separated into vapor and high salinity liquid along the appropriate isotherm. Fluid inclusions in Q2 quartz in INT#1 and INT#2 were trapped at lower temperatures between 303 and 380 °C and had lower salinities between 3% and 20% NaCl equiv. The zoned Q3 quartz accompanied by pyrite in V2 veins of both INT#2 and INT#3 precipitated at temperatures between 310 and 373 °C with a salinity range from 5.4% to 10% NaCl eq. The latest generation of fracture filling Q4 quartz, cuts the earlier generations with fluid inclusion Th temperature range from 257 to 333 °C and salinity range from 3% to 12.5% NaCl equiv. The low salinity and low formation temperature of Q4 may be due to the mixing of meteoric water with the hydrothermal system, or late-stage epithermal overprinting. The separation of the magmatic fluid into vapor and aqueous saline pairs in the Q1 quartz of the V1 vein of the INT#1 and INT#2 and CO2-poor fluids indicates the shallow formation of the Kışladağ porphyry gold deposit.
Phytochemical Characterization and In Vitro Anti-Inflammatory, Antioxidant and Antimicrobial Activity of Combretum Collinum Fresen Leaves Extracts from Benin
Authors: Marquardt Peter , Seide Rick , Vissiennon Cica , Schubert Andreas , Birkemeyer Claudia , Ahyi Virgile , Fester Karin
Published: January 2020

Leaves from Combretum collinum Fresen (Combretaceae) are commonly used for the treatment of inflammatory conditions, wound healing and bacterial infections in traditional West African medicine. This research focuses on the characterization of the phenolic profile and lipophilic compounds of leaves extracts of C. collinum. Studies of the in vitro anti-inflammatory activity were performed in TNFα stimulated HaCaT cells and antibacterial activity was evaluated with agar well diffusion and microdilution assays. Antioxidant activity was determined by DPPH and ABTS assays and compared to standards. The phytochemical studies confirmed myricetin-3-O-rhamnoside and myricetin-3-O-glucoside as major components of the leaves extracts, each contributing significantly to the antioxidant activity of the hydrophilic extracts. GC-MS analysis identified 19 substances that were confirmed by comparison with spectral library data and authentic standards. Combretum collinum aqueous leaves extract decreased pro-inflammatory mediators in TNFα stimulated HaCaT cells. Further investigations showed that myricetin-3-O-rhamnoside has an anti-inflammatory effect on IL-8 secretion. In the antimicrobial screening, the largest inhibition zones were found against S. epidermidis, MRSA and S. aureus. MIC values resulted in 275.0 µg/mL for S. epidermidis and 385.5 µg/mL for MRSA. The in vitro anti-inflammatory, antibacterial and antioxidant activity supports topical use of C. collinum leaves extracts in traditional West African medicine.
Evaluation of Fungistatic Activity of Eight Selected Essential Oils on Four Heterogeneous Fusarium Isolates Obtained from Cereal Grains in Southern Poland
Authors: Krzyśko-Łupicka Teresa , Sokół Sławomir , Piekarska-Stachowiak Anna
Published: January 2020

The aim of the study was to determine the relationship between the chemical composition of eight commercial essential oils (EsO) (garlic, grapefruit, lemon grass, tea tree, thyme, verbena, cajeput, and Litsea cubeba) and their fungistatic activity in relation to four species of Fusarium: F. avenaceum, F. culmorum, F. graminearum, and F. oxysporum. The species identification of Fusarium isolates was confirmed by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometer. The determination of qualitative and quantitative chemical composition of the EsO was carried out using the gas chromatography–mass spectrometry (GC–MS) method. The fungistatic activity of EsO was assessed by using the method of poisoned substrates. The data were compiled in the STATISTICA 13.0 program. The chemical composition of the tested oils varied; the dominant fraction, except for grapefruit and garlic oils, were monoterpenoids. The greatest similarity to the action of the synthetic pesticide Funaben T was found in four oils, i.e., thyme, lemongrass, verbena, and Litsea cubeba. The studies showed that F. oxysporum and F. avenaceum were characterized by a higher resistance to low oil concentrations, and F. culmorum and F. graminearum by sensitivity. The fungicidal activity of two EsO-dominant monoterpenoids-thymol and citral—has been confirmed.
Considerations for Docking of Selective Angiotensin-Converting Enzyme Inhibitors
Authors: Caballero Julio
Published: January 2020

The angiotensin-converting enzyme (ACE) is a two-domain dipeptidylcarboxypeptidase, which has a direct involvement in the control of blood pressure by performing the hydrolysis of angiotensin I to produce angiotensin II. At the same time, ACE hydrolyzes other substrates such as the vasodilator peptide bradykinin and the anti-inflammatory peptide N-acetyl-SDKP. In this sense, ACE inhibitors are bioactive substances with potential use as medicinal products for treatment or prevention of hypertension, heart failures, myocardial infarction, and other important diseases. This review examined the most recent literature reporting ACE inhibitors with the help of molecular modeling. The examples exposed here demonstrate that molecular modeling methods, including docking, molecular dynamics (MD) simulations, quantitative structure-activity relationship (QSAR), etc, are essential for a complete structural picture of the mode of action of ACE inhibitors, where molecular docking has a key role. Examples show that too many works identified ACE inhibitory activities of natural peptides and peptides obtained from hydrolysates. In addition, other works report non-peptide compounds extracted from natural sources and synthetic compounds. In all these cases, molecular docking was used to provide explanation of the chemical interactions between inhibitors and the ACE binding sites. For docking applications, most of the examples exposed here do not consider that: (i) ACE has two domains (nACE and cACE) with available X-ray structures, which are relevant for the design of selective inhibitors, and (ii) nACE and cACE binding sites have large dimensions, which leads to non-reliable solutions during docking calculations. In support of the solution of these problems, the structural information found in Protein Data Bank (PDB) was used to perform an interaction fingerprints (IFPs) analysis applied on both nACE and cACE domains. This analysis provides plots that identify the chemical interactions between ligands and both ACE binding sites, which can be used to guide docking experiments in the search of selective natural components or novel drugs. In addition, the use of hydrogen bond constraints in the S2 and S2′ subsites of nACE and cACE are suggested to guarantee that docking solutions are reliable.
A Preliminary Study on Metabolome Profiles of Buffalo Milk and Corresponding Mozzarella Cheese: Safeguarding the Authenticity and Traceability of Protected Status Buffalo Dairy Products
Authors: Salzano Angela , Manganiello Gelsomina , Neglia Gianluca , Vinale Francesco , De Nicola Donato , D’Occhio Michael , Campanile Giuseppe
Published: January 2020

The aim of this study is to combine advanced GC-MS and metabolite identification in a robust and repeatable technology platform to characterize the metabolome of buffalo milk and mozzarella cheese. The study utilized eleven dairies located in a protected designation of origin (PDO) region and nine dairies located in non-PDO region in Italy. Samples of raw milk (100 mL) and mozzarella cheese (100 g) were obtained from each dairy. A total of 185 metabolites were consistently detected in both milk and mozzarella cheese. The PLS-DA score plots clearly differentiated PDO and non-PDO milk and mozzarella samples. For milk samples, it was possible to divide metabolites into two classes according to region: those with lower concentrations in PDO samples (galactopyranoside, hydroxybuthyric acid, allose, citric acid) and those with lower concentrations in non-PDO samples (talopyranose, pantothenic acid, mannobiose, etc.,). The same was observed for mozzarella samples with the proportion of some metabolites (talopyranose, 2, 3-dihydroxypropyl icosanoate, etc.,) higher in PDO samples while others (tagatose, lactic acid dimer, ribitol, etc.,) higher in non-PDO samples. The findings establish the utility of GC-MS together with mass spectral libraries as a powerful technology platform to determine the authenticity, and create market protection, for “Mozzarella di Bufala Campana.”
Oxidations of Benzhydrazide and Phenylacetic Hydrazide by Hexachloroiridate(IV): Reaction Mechanism and Structure–Reactivity Relationship
Authors: Zhang Xiaolai
Published: January 2020

Benz(o)hydrazide (BH) is the basic aryl hydrazide; aryl hydrazides have been pursued in the course of drug discovery. Oxidations of BH and phenylacetic hydrazide (PAH) by hexachloroiridate(IV) ([IrCl6]2−) were investigated by use of stopped-flow spectral, rapid spectral scan, RP-HPLC and NMR spectroscopic techniques. The oxidation reactions followed well-defined second-order kinetics and the observed second-order rate constant k′ versus pH profiles were established over a wide pH range. Product analysis revealed that BH and PAH were cleanly oxidized to benzoic acid and phenylacetic acid, respectively. A reaction mechanism was proposed, resembling those suggested previously for the oxidations of isoniazid (INH) and nicotinic hydrazide (NH) by [IrCl6]2−. Rate constants of the rate-determining steps were evaluated, confirming a huge reactivity span of the protolysis species observed previously. The enolate species of BH is extremely reactive towards reduction of [IrCl6]2−. The determined middle-ranged negative values of activation entropies together with rapid scan spectra manifest that an outer-sphere electron transfer is probably taking place in the rate-determining steps. The reactivity of neutral species of hydrazides is clearly not correlated to the corresponding pKa values of the hydrazides. On the other hand, a linear correlation, logkenolate = (0.16 ± 0.07)pKenol + (6.1 ± 0.8), is found for the aryl hydrazides studied so far. The big intercept and the small slope of this correlation may pave a way for a rational design of new antioxidants based on aryl hydrazides. The present work also provides the pKa values for BH and PAH at 25.0 °C and 1.0 M ionic strength which were not reported before.
Preparation of Chitosan Molecularly Imprinted Polymers and the Recognition Mechanism for Adsorption of Alpha-Lipoic Acid
Authors: Xu Long , Zhao Ze-Xin , Huang Yun-An , Zhu Qiu-Jin
Published: January 2020

Two effective molecularly imprinted polymers for the adsorption of alpha-lipoic acid (ALA) were synthesized by the cross-linking of chitosan with epichlorohydrin (ECH) and glutaraldehyde (GLU), respectively, in the presence of ALA as template molecules. Investigations on the molar ratios of ALA and chitosan (–NH2) in the preparation of chitosan molecularly imprinted polymers (MIPs) were carried out with a factor of ALA rebinding capabilities. The surface morphology and chemical properties of the polymers were characterized. The optimized MIPs crosslinked by ECH (MIPs–ECH) and MIPs crosslinked by GLU (MIPs–GLU) had adsorption capabilities of 12.09 mg/g and 19.72 mg/g for ALA, respectively. The adsorption behaviors of two kinds of chitosan MIPs including adsorption kinetics and isotherms were investigated in detail. Adsorption and kinetic binding experiments showed that the prepared MIPs–ECH and MIPs–GLU had selective adsorption and excellent affinity for ALA. In addition, the possible binding models between ALA and chitosan oligosaccharide were predicted by molecular dynamics simulation.
Optically Stimulated Luminescence Sensitivity of Quartz for Provenance Analysis
Authors: Sawakuchi André Oliveira , Rodrigues Fernanda Costa Gonçalves , Mineli Thays Desiree , Mendes Vinícius Ribau , Melo Dayane Batista , Chiessi Cristiano Mazur , Giannini Paulo César Fonseca
Published: January 2020

Finding the source or provenance of quartz grains occurring in a specific location allows us to constrain their transport pathway, which is crucial information to solve diverse problems in geosciences and related fields. The optically stimulated luminescence (OSL) sensitivity (light intensity per unit mass per unit radiation dose) has a high capacity for discrimination of quartz sediment grains and represents a promising technique for provenance analysis. In this study, we tested the use of quartz OSL sensitivity (ultraviolet emission) measured under different preheating temperatures and with blue light stimulation at room temperature (~20 °C) for sediment provenance analysis. Quartz OSL sensitivity measured at 20 °C is positively correlated with the sensitivity of an OSL signal measured using procedures (preheat at 190 °C for 10 s, blue stimulation at 125 °C and initial 1 s of light emission) to increase the contribution of the fast OSL component, which has been successfully applied for sediment provenance analysis. The higher OSL signal intensity measured without preheating and with light stimulation at room temperature allows the use of lower given doses, thus reducing measurement time. Additionally, the OSL sensitivity measured at 20 °C in polymineral silt samples of a marine sediment core is also suitable for provenance analysis, as demonstrated by comparison with other independent proxies. OSL signals obtained through light stimulation at room temperature have thus the potential to considerably expand measurement possibilities, including in situ measurements using portable OSL readers.
An Overview of Micro- and Nanoemulsions as Vehicles for Essential Oils: Formulation, Preparation and Stability
Authors: Pavoni Lucia , Perinelli Diego Romano , Bonacucina Giulia , Cespi Marco , Palmieri Giovanni Filippo
Published: January 2020

The interest around essential oils is constantly increasing thanks to their biological properties exploitable in several fields, from pharmaceuticals to food and agriculture. However, their widespread use and marketing are still restricted due to their poor physico-chemical properties; i.e., high volatility, thermal decomposition, low water solubility, and stability issues. At the moment, the most suitable approach to overcome such limitations is based on the development of proper formulation strategies. One of the approaches suggested to achieve this goal is the so-called encapsulation process through the preparation of aqueous nano-dispersions. Among them, micro- and nanoemulsions are the most studied thanks to the ease of formulation, handling and to their manufacturing costs. In this direction, this review intends to offer an overview of the formulation, preparation and stability parameters of micro- and nanoemulsions. Specifically, recent literature has been examined in order to define the most common practices adopted (materials and fabrication methods), highlighting their suitability and effectiveness. Finally, relevant points related to formulations, such as optimization, characterization, stability and safety, not deeply studied or clarified yet, were discussed.
Alcohol Consumption, Drinking Patterns, and Cognitive Performance in Young Adults: A Cross-Sectional and Longitudinal Analysis
Authors: Hendriks Henk , van de Rest Ondine , Snippe Almar , Kieboom Jasper , Hogenelst Koen
Published: January 2020

Long-term alcohol abuse is associated with poorer cognitive performance. However, the associations between light and moderate drinking and cognitive performance are less clear. We assessed this association via cross-sectional and longitudinal analyses in a sample of 702 Dutch students. At baseline, alcohol consumption was assessed using questionnaires and ecological momentary assessment (EMA) across four weeks (‘Wave 1’). Subsequently, cognitive performance, including memory, planning, and reasoning, was assessed at home using six standard cognition tests presented through an online platform. A year later, 436 students completed the four weeks of EMA and online cognitive testing (‘Wave 2’). In both waves, there was no association between alcohol consumption and cognitive performance. Further, alcohol consumption during Wave 1 was not related to cognitive performance at Wave 2. In addition, EMA-data-based drinking patterns, which varied widely between persons but were relatively consistent over time within persons, were also not associated with cognitive performance. Post-hoc analyses of cognitive performance revealed higher within-person variance scores (from Wave 1 to Wave 2) than between-person variance scores (both Wave 1 and Wave 2). In conclusion, no association was observed between alcohol consumption and cognitive performance in a large Dutch student sample. However, the online cognitive tests performed at home may not have been sensitive enough to pick up differences in cognitive performance associated with alcohol consumption.
The Cytoskeleton and Its Role in Determining Cellulose Microfibril Angle in Secondary Cell Walls of Woody Tree Species
Authors: Tobias Larissa Machado , Spokevicius Antanas V. , McFarlane Heather E. , Bossinger Gerd
Published: January 2020

Recent advances in our understanding of the molecular control of secondary cell wall (SCW) formation have shed light on molecular mechanisms that underpin domestication traits related to wood formation. One such trait is the cellulose microfibril angle (MFA), an important wood quality determinant that varies along tree developmental phases and in response to gravitational stimulus. The cytoskeleton, mainly composed of microtubules and actin filaments, collectively contribute to plant growth and development by participating in several cellular processes, including cellulose deposition. Studies in Arabidopsis have significantly aided our understanding of the roles of microtubules in xylem cell development during which correct SCW deposition and patterning are essential to provide structural support and allow for water transport. In contrast, studies relating to SCW formation in xylary elements performed in woody trees remain elusive. In combination, the data reviewed here suggest that the cytoskeleton plays important roles in determining the exact sites of cellulose deposition, overall SCW patterning and more specifically, the alignment and orientation of cellulose microfibrils. By relating the reviewed evidence to the process of wood formation, we present a model of microtubule participation in determining MFA in woody trees forming reaction wood (RW).
Simalikalactone D, a Potential Anticancer Compound from Simarouba tulae, an Endemic Plant of Puerto Rico
Authors: Mendez Belmari , Reyes Jeyshka , Conde Isabel , Ramos Zulma , Lozada Eunice , Cruz Ailed M. , Asencio Gabriela , Carvajal Augusto , Dharmawardhane Suranganie , Piñero-Cruz Dalice M. , Hernández Eliud , Vivas Pablo , Ospina Claudia A.
Published: January 2020

Species of the genus Simarouba have been studied because of their antimalarial and antileukemic activities. A group of oxygenated terpenes called quassinoids have been isolated from species of the Simarouba genus, and are responsible for its therapeutic properties. We hypothesized that Simarouba tulae, an endemic plant from Puerto Rico, is a natural source rich in quassinoid compounds with anticancer activity. The leaves were processed and extracted with solvents of different polarities. The extracts were screened for their antiproliferative activity, and it was shown that the chloroform extract was the most active extract. This extract was purified using different chromatographic techniques to afford the quassinoid simalikalactone D (SKD). This compound was further characterized using NMR and X-ray diffraction analysis. A reassessment of original structural assignments for SKD is proposed. SKD showed high cytotoxicity activity, with an IC50 of 55, 58, and 65 nM in A2780CP20 (ovarian), MDA-MB-435 (breast), and MDA-MB-231 (breast) cell lines, respectively. Exposure to SKD led to 15% inhibition of the migration of MDA-MB-231 cells.
Integrating Benzenesulfonic Acid Pretreatment and Bio-Based Lignin-Shielding Agent for Robust Enzymatic Conversion of Cellulose in Bamboo
Authors: Luo Xiaolin , Gong Zhenggang , Shi Jinghao , Chen Lihui , Zhu Wenyuan , Zhou Yonghui , Huang Liulian , Liu Jing
Published: January 2020

A hydrotrope-based pretreatment, benzenesulfonic acid (BA) pretreatment, was used to fractionate bamboo in this work. With optimized content (80 wt %) of BA in pretreatment liquor, about 90% of lignin and hemicellulose could be removed from bamboo under mild conditions (95 °C, 30 min or 80 °C, 60 min). The potential accessibility of BA pretreated substrate to cellulase was thus significantly improved and was also found to be much higher than those of acidic ethanol and dilute acid pretreatments. But the deposition of lignin on the surface of solid substrates, especially the BA pretreated substrate, was also observed, which showed a negative effect on the enzymatic hydrolysis efficiency. The addition of inexpensive soy protein, a bio-based lignin-shielding agent, could readily overcome this negative effect, leading the increase of enzymatic conversion of cellulose in BA pretreated substrate from 37% to 92% at a low cellulase loading of 4 FPU/g glucan. As compared to acidic ethanol and dilute acid pretreatments, the combination of BA pretreatment and soy protein could not only stably improve the efficiency of non-cellulose components removal, but also could significantly reduce the loading of cellulase.
The Institutionalization of Nature-Based Solutions—A Discourse Analysis of Emergent Literature
Authors: Mendes Rúben , Fidélis Teresa , Roebeling Peter , Teles Filipe
Published: January 2020

The European Union quickly incorporated the concept of nature based-solutions (NBS), becoming a key promotor. This was achieved through financial support for both academic research and city implementations. Still, the processes of institutionalization are yet to be fully explored. This study aims at assessing how the scientific literature regarding NBS is addressing institutional aspects and how it is constructing the NBS narrative. This research is divided into two stages. First, it undertakes a quantitative analysis of the discourse, considering a set of preselected search terms organized into five categories: Actor, institutional, planning, policy, and regulation. Second, it adopts a qualitative analysis considering both a group of the most cited articles and of articles highlighted in the previous stage. The results indicate that the NBS concept is still shadowed by other environmental concepts such as ecosystem services. Despite being an issue promoted at the European level, the results of this exercise express the lack of concrete planning and policy recommendations, reflected by the absence of terms such as “planning objectives”. This pattern occurs in all other major categories, being the institutional category the least mentioned of all five categories. The results highlight the need to address both policies and planning recommendations more concretely, studying the institutional arrangements able to promote NBS.
A LSTM Algorithm Estimating Pseudo Measurements for Aiding INS during GNSS Signal Outages
Authors: Fang Wei , Jiang Jinguang , Lu Shuangqiu , Gong Yilin , Tao Yifeng , Tang Yanan , Yan Peihui , Luo Haiyong , Liu Jingnan
Published: January 2020

Aiming to improve the navigation accuracy during global navigation satellite system (GNSS) outages, an algorithm based on long short-term memory (LSTM) is proposed for aiding inertial navigation system (INS). The LSTM algorithm is investigated to generate the pseudo GNSS position increment substituting the GNSS signal. Almost all existing INS aiding algorithms, like the multilayer perceptron neural network (MLP), are based on modeling INS errors and INS outputs ignoring the dependence of the past vehicle dynamic information resulting in poor navigation accuracy. Whereas LSTM is a kind of dynamic neural network constructing a relationship among the present and past information. Therefore, the LSTM algorithm is adopted to attain a more stable and reliable navigation solution during a period of GNSS outages. A set of actual vehicle data was used to verify the navigation accuracy of the proposed algorithm. During 180 s GNSS outages, the test results represent that the LSTM algorithm can enhance the navigation accuracy 95% compared with pure INS algorithm, and 50% of the MLP algorithm.
Magnetoelastic Humidity Sensors with TiO2 Nanotube Sensing Layers
Authors: Atalay Selcuk , Izgi Tekin , Kolat Veli Serkan , Erdemoglu Sema , Inan Orhan Orcun
Published: January 2020

In this study, TiO2 nanotubes (TiO2-NTs) are coated with a drop-casting method on Fe40Ni38Mo4B18 amorphous ferromagnetic ribbons and the humidity response of the prepared magnetoelastic sensors (MES) is investigated. The synthesis of TiO2-NTs is performed using a hydrothermal process. Sample characterization is carried out using X-ray diffraction and scanning electron microscopy. The results show that the sensors can measure moisture values in the range of 5% to 95% with very high precision and very low hysteresis. The humidity variation between 5% and 95% shows a change in the sensor resonance frequency of ~3180 Hz, which is a significant change compared to many magnetoelastic humidity sensors developed so far.
Company Receptivity in Private Dialogue on Sustainability Risks
Authors: Semenova Natalia
Published: January 2020

This study examines empirically the efficiency of private collaborative dialogues between Nordic institutional investors and companies included in the MSCI (Morgan Stanley Capital International) World stock market index. It contributes to an understanding of the conditions that allow active institutional investors to elect to work with more receptive and progressive companies and improve the efficiency of private engagement and dialogue. Stakeholder silence theory and Gond et al.’s model of company perceptions of enablers and barriers to the success of engagement are introduced to analyse the efficiency of private dialogue. The study investigates a proprietary dataset covering the characteristics of 109 complete dialogue processes related to material environmental, social, and corruption issues. The dialogues are led by a professional engagement agent in collaboration with its Nordic clients. The multivariate regression analysis shows that sustainability risk, bureaucracy, and experience are the specific conditions under which the target company can become more receptive to activism by making more progress to address institutional investors’ requests during the hidden dialogue process.
Novel Food: The Impact of Innovation on the Paths of the Traditional Food Chain
Authors: Zarbà Carla , Chinnici Gaetano , D’Amico Mario
Published: January 2020

Novel food refers to any type of food which was not used for human consumption before the 15 May 1997 in a specific place. This date refers to the introduction of European Union Regulation (EC) No 258/1997 which regulated the placing of novel foods or novel food ingredients on the market within the community for the first time. Then, the Regulation (EU) 2015/2283 changed the existing legislation for the categories of food belonging to novel food in order to guarantee a higher level of protection of human health and consumer interests. Algae, which are not commonly consumed by people but are considered among the most widespread foods of the future, are one of the principal food products of natural plant origin in the regulation of novel foods. However, even if algae were not well-known in the past, nowadays they are integrated into the different food cultures of the EU. This circumstance led to an analysis of the contribution of trade flows, of algae for human consumption inside and outside Europe, on the trade balance of the member countries of the European Union. Analysis of the Eurostat database was used to provide an overview of the international trade dynamics affecting the trade development of algae for human consumption in the European Union, with the aim of measuring the competitive dynamics within member countries.
Sustainable Brand Management of Alimentary Goods
Authors: Majerova Jana , Sroka Wlodzimierz , Krizanova Anna , Gajanova Lubica , Lazaroiu George , Nadanyiova Margareta
Published: January 2020

Sustainability of food production and consumption has become one of the most discussed topics of sustainable development in global context. Thus, traditional managerial patterns have to be revised according to the social request. The revisions that have been done so far are based on relevant specifics of production and have mostly general character. Moreover, traditional managerial postulates do not change; only their way of implementation is modified. These two facts are possible reason of the practical fails in sustainable management of alimentary goods. One of these traditional managerial concepts is brand. Within this context, it has been considered as a facilitator of CSR (corporate social responsibility) activities. But the situation has changed, and the suspicion that brand loyalty is not a facilitator but an obstacle to the sustainable management is high. Thus, the importance of research of brand loyalty in scope of sustainable management of alimentary goods is indisputable. According to the above mentioned, the main goal of the contribution is to identify relevant brand value sources of loyalty in scope of sustainable brand management of alimentary goods. To achieve this, the factor analysis has been applied to provide statistical evaluation of data obtained from our own questionnaire survey. We have found out that components of brand value sources do not vary when comparing brands and those without loyal consumers. Based on this, appropriate recommendations for the theory and practice of sustainable brand management of alimentary goods have been formulated.
High-Precision Monitoring of Volume Change of Commercial Lithium-Ion Batteries by Using Strain Gauges
Authors: Willenberg Lisa K. , Dechent Philipp , Fuchs Georg , Sauer Dirk Uwe , Figgemeier Egbert
Published: January 2020

This paper proposes a testing method that allows the monitoring of the development of volume expansion of lithium-ion batteries. The overall goal is to demonstrate the impact of the volume expansion on battery ageing. The following findings are achieved: First, the characteristic curve shape of the diameter change depended on the state-of-charge and the load direction of the battery. The characteristic curve shape consisted of three areas. Second, the characteristic curve shape of the diameter change changed over ageing. Whereas the state-of-charge dependent geometric alterations were of a reversible nature. An irreversible effect over the lifetime of the cell was observed. Third, an s-shaped course of the diameter change indicated two different ageing effects that led to the diameter change variation. Both reversible and irreversible expansion increased with ageing. Fourth, a direct correlation between the diameter change and the capacity loss of this particular lithium-ion battery was observed. Fifth, computer tomography (CT) measurements showed deformation of the jelly roll and post-mortem analysis showed the formation of a covering layer and the increase in the thickness of the anode. Sixth, reproducibility and temperature stability of the strain gauges were shown. Overall, this paper provides the basis for a stable and reproducible method for volume expansion analysis applied and established by the investigation of a state-of-the-art lithium-ion battery cell. This enables the study of volume expansion and its impact on capacity and cell death.