bluuebunny/crossref_metadata_2025 huggingface dataset:
Tocopheryl Succinate-Induced Structural Changes in DPPC Liposomes: DSC and ANS Fluorescence Studies
Authors: Neunert Grażyna , Tomaszewska-Gras Jolanta , Witkowski Stanislaw , Polewski Krzysztof
Published: June 2020

Recent studies show that alpha-tocopheryl succinate (TS) exhibits selective toxicity against cancer cells. In this study, we investigated the effect of TS’s presence on the physico-chemical and structural properties of DPPC liposomes using fluorescence parameters (intensity, lifetime, and position of emission maximum) of 1-anilino-8-naphtalene sulphonate (ANS), differential scanning calorimetry (DSC) and zeta potential methods. Increasing the TS presence in the DPPC gel phase produced ANS fluorescence enhancement with a hypsochromic shift of the maximum. The zeta potential measurements show an increase in the negative surface charge and confirmed that this process is connected with the hydrophobic properties of dye, which becomes located deeper into the interphase region with a progressing membrane disorder. Temperature dependence studies showed that an increase in temperature increases the ANS fluorescence and shifts the ANS maximum emission from 464 to 475 nm indicating a shift from hydrophobic to a more aqueous environment. In the liquid crystalline phase, the quenching of ANS fluorescence occurs due to the increased accessibility of water to the ANS located in the glycerol region. The DSC results revealed that increasing the presence of TS led to the formation of multicomponent DSC traces, indicating the formation of intermediate structures during melting. The present results confirmed that TS embedded into the DPPC membrane led to its disruption due to destabilisation of its structure, which confirmed the measured biophysical parameters of the membrane.
A Sustainable Approach for the Green Synthesis of Silver Nanoparticles from Solibacillus isronensis sp. and Their Application in Biofilm Inhibition
Authors: Singh Priyanka , Pandit Santosh , Mokkapati VRSS , Garnæs Jørgen , Mijakovic Ivan
Published: June 2020

The use of bacteria as nanofactories for the green synthesis of nanoparticles is considered a sustainable approach, owing to the stability, biocompatibility, high yields and facile synthesis of nanoparticles. The green synthesis provides the coating or capping of biomolecules on nanoparticles surface, which confer their biological activity. In this study, we report green synthesis of silver nanoparticles (AgNPs) by an environmental isolate; named as AgNPs1, which showed 100% 16S rRNA sequence similarity with Solibacillus isronensis. UV/visible analysis (UV/Vis), transmission electron microscopy (TEM), atomic force microscopy (AFM), dynamic light scattering (DLS), and Fourier-transform infrared spectroscopy (FTIR) were used to characterize the synthesized nanoparticles. The stable nature of nanoparticles was studied by thermogravimetric analysis (TGA) and inductively coupled plasma mass spectrometry (ICP-MS). Further, these nanoparticles were tested for biofilm inhibition against Escherichia coli and Pseudomonas aeruginosa. The AgNPs showed minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of 3.12 µg/mL and 6.25 µg/mL for E. coli, and 1.56 µg/mL and 3.12 µg/mL for P. aeruginosa, respectively.
Silica Aerogels/Xerogels Modified with Nitrogen-Containing Groups for Heavy Metal Adsorption
Authors: Vareda João P. , Valente Artur J. M. , Durães Luisa
Published: June 2020

Heavy metals are common inorganic pollutants found in the environment that have to be removed from wastewaters and drinking waters. In this work, silica-derived aerogels and xerogels were modified via a co-precursor method to obtain functional adsorbents for metal cations. A total of six formulations based upon four different functional precursors were prepared. The materials′ structural characterization revealed a decreased porosity and surface area on modified samples, more prominent in xerogel counterparts. Preliminary tests were conducted, and the prepared samples were also compared to activated carbon. Three samples were selected for in-depth studies. Isotherm studies revealed that the pre-selected samples remove well copper, lead, cadmium and nickel, and with similar types of interactions, following a Langmuir trend. The adsorption kinetics starts very fast and either equilibrium is reached quickly or slowly, in a two-stage process attributed to the existence of different types of active sites. Based on the previous tests, the best sample, prepared by mixing different functional co-precursors, was selected and its behavior was studied under different temperatures. For this material, the adsorption performance at 20 °C is dependent on the cation, ranging from 56 mg·g−1 for copper to 172 mg·g−1 for lead.
Inositol Pyrophosphate Pathways and Mechanisms: What Can We Learn from Plants?
Authors: Cridland Caitlin , Gillaspy Glenda
Published: June 2020

The ability of an organism to maintain homeostasis in changing conditions is crucial for growth and survival. Eukaryotes have developed complex signaling pathways to adapt to a readily changing environment, including the inositol phosphate (InsP) signaling pathway. In plants and humans the pyrophosphorylated inositol molecules, inositol pyrophosphates (PP-InsPs), have been implicated in phosphate and energy sensing. PP-InsPs are synthesized from the phosphorylation of InsP6, the most abundant InsP. The plant PP-InsP synthesis pathway is similar but distinct from that of the human, which may reflect differences in how molecules such as Ins(1,4,5)P3 and InsP6 function in plants vs. animals. In addition, PP-InsPs can potentially interact with several major signaling proteins in plants, suggesting PP-InsPs play unique signaling roles via binding to protein partners. In this review, we will compare the biosynthesis and role of PP-InsPs in animals and plants, focusing on three central themes: InsP6 synthesis pathways, synthesis and regulation of the PP-InsPs, and function of a specific protein domain called the Syg1, Pho1, Xpr1 (SPX ) domain in binding PP-InsPs and regulating inorganic phosphate (Pi) sensing. This review will provide novel insights into the biosynthetic pathway and bioactivity of these key signaling molecules in plant and human systems.
Asymmetric Synthesis of Photophore-Containing Lactisole Derivatives to Elucidate Sweet Taste Receptors
Authors: Nakagita Tomoya , Ishida Akiko , Tachrim Zetryana Puteri , Wang Lei , Misaka Takumi , Hashimoto Makoto
Published: June 2020

Lactisole, which has a 2-phenoxy propionic acid skeleton, is well-known as an inhibitor of sweet taste receptors. We recently revealed some of the structure–activity relationships of the aromatic ring and chiral center of lactisole. Photoaffinity labeling is one of the common chemical biology methods to elucidate the interaction between bioactive compounds and biomolecules. In this paper, the novel asymmetric synthesis of lactisole derivatives with common photophores (benzophenone, azide and trifluoromethyldiazirine) for photoaffinity labeling is described. The synthetic compounds are subjected to cell-based sweet taste receptors, and the substitution with trifluoromethyldiazirinyl photophore shows the highest affinity to the receptor of the synthesized compounds.
Computational Study of Methane C–H Activation by Main Group and Mixed Main Group–Transition Metal Complexes
Authors: Carter Carly C. , Cundari Thomas R.
Published: June 2020

In the present density functional theory (DFT) research, nine different molecules, each with different combinations of A (triel) and E (divalent metal) elements, were reacted to effect methane C–H activation. The compounds modeled herein incorporated the triels A = B, Al, or Ga and the divalent metals E = Be, Mg, or Zn. The results show that changes in the divalent metal have a much bigger impact on the thermodynamics and methane activation barriers than changes in the triels. The activating molecules that contained beryllium were most likely to have the potential for activating methane, as their free energies of reaction and free energy barriers were close to reasonable experimental values (i.e., ΔG close to thermoneutral, ΔG‡ ~30 kcal/mol). In contrast, the molecules that contained larger elements such as Zn and Ga had much higher ΔG‡. The addition of various substituents to the A–E complexes did not seem to affect thermodynamics but had some effect on the kinetics when substituted closer to the active site.
Challenges in Chagas Disease Drug Development
Authors: Francisco Amanda F. , Jayawardhana Shiromani , Olmo Francisco , Lewis Michael D. , Wilkinson Shane R. , Taylor Martin C. , Kelly John M.
Published: June 2020

The protozoan parasite Trypanosoma cruzi causes Chagas disease, an important public health problem throughout Latin America. Current therapeutic options are characterised by limited efficacy, long treatment regimens and frequent toxic side-effects. Advances in this area have been compromised by gaps in our knowledge of disease pathogenesis, parasite biology and drug activity. Nevertheless, several factors have come together to create a more optimistic scenario. Drug-based research has become more systematic, with increased collaborations between the academic and commercial sectors, often within the framework of not-for-profit consortia. High-throughput screening of compound libraries is being widely applied, and new technical advances are helping to streamline the drug development pipeline. In addition, drug repurposing and optimisation of current treatment regimens, informed by laboratory research, are providing a basis for new clinical trials. Here, we will provide an overview of the current status of Chagas disease drug development, highlight those areas where progress can be expected, and describe how fundamental research is helping to underpin the process.
Bioanalytical Method Development and Validation of Veratraldehyde and Its Metabolite Veratric Acid in Rat Plasma: An Application for a Pharmacokinetic Study
Authors: Huh Hyun Wook , Song Hee-Yong , Na Young-Guk , Kim Minki , Han Mingu , Pham Thi Mai Anh , Lee Hyeonmin , Suh Jungkyu , Lee Seok-Jong , Lee Hong-Ki , Cho Cheong-Weon
Published: June 2020

A simple, sensitive, and rapid UHPLC-MS/MS method was developed for the simultaneous determination of veratraldehyde and its metabolite veratric acid in rat plasma. Cinnamaldehyde was used as an internal standard (IS) and the one-step protein precipitation method with 0.2% formic acid in acetonitrile (mobile phase B) was used for the sample extraction. Reversed C18 column (YMC-Triart C18 column, 50 mm × 2.0 mm, 1.9 µm) was used for chromatographic separation and was maintained at 30 °C. The total run time was 4.5 min and the electrospray ionization in positive mode was used with the transition m/z 167.07 → 139.00 for veratraldehyde, m/z 183.07 → 139.00 for veratric acid, and m/z 133.00 → 55.00 for IS. The developed method exhibited good linearity (r2  ≥  0.9977), and the lower limits of quantification ranged from 3 to 10 ng/mL for the two analytes. Intra-day precision and accuracy parameters met the criteria (within ±15%) during the validation. The bioanalytical method was applied for the determination of veratraldehyde and veratric acid in rat plasma after oral and percutaneous administration of 300 and 600 mg/kg veratraldehyde. Using the analytical methods established in this study, we can confirm the absorption and metabolism of veratraldehyde in rats for various routes.
Mechanism of Reactions of 1-Substituted Silatranes and Germatranes, 2,2-Disubstituted Silocanes and Germocanes, 1,1,1-Trisubstituted Hyposilatranes and Hypogermatranes with Alcohols (Methanol, Ethanol): DFT Study
Authors: Chachkov Denis , Ismagilova Rezeda , Vereshchagina Yana
Published: June 2020

The mechanism of reactions of silatranes and germatranes, and their bicyclic and monocyclic analogues with one molecule of methanol or ethanol, was studied at the Density Functional Theory (DFT) B3PW91/6-311++G(df,p) level of theory. Reactions of 1-substituted sil(germ)atranes, 2,2-disubstituted sil(germ)ocanes, and 1,1,1-trisubstituted hyposil(germ)atranes with alcohol (methanol, ethanol) proceed in one step through four-center transition states followed by the opening of a silicon or germanium skeleton and the formation of products. According to quantum chemical calculations, the activation energies and Gibbs energies of activation of reactions with methanol and ethanol are close, their values decrease in the series of atranes–ocanes–hypoatranes for interactions with both methanol and ethanol. The reactions of germanium-containing derivatives are characterized by lower activation energies in comparison with the reactions of corresponding silicon-containing compounds. The annular configurations of the product molecules with electronegative substituents are stabilized by the transannular N→X (X = Si, Ge) bond and different intramolecular hydrogen contacts with the participation of heteroatoms of substituents at the silicon or germanium.
Recombinant Lactaptin Induces Immunogenic Cell Death and Creates an Antitumor Vaccination Effect in Vivo with Enhancement by an IDO Inhibitor
Authors: Troitskaya Olga , Varlamov Mikhail , Nushtaeva Anna , Richter Vladimir , Koval Olga
Published: June 2020

Natural compounds of various origins are intensively investigated for their antitumor activity. Potential benefits of antitumor therapy can be achieved when cytotoxic agents kill cancer cells and these dying cancer cells drive adoptive immunity to the tumor. This strategy was successfully demonstrated for chemotherapeutic drugs that induce immunogenic type of cell death (ICD) with release of DAMPs (danger associated molecular patterns) and exposure of “eat me” signals. In this study, we demonstrated that recombinant human milk peptide lactaptin (RL2) induces death of cancer cells with ICD hallmarks in vitro with the release of ATP and high-mobility group box 1 protein (HMGB1) and exposure of calreticulin and HSP70 on the external cell membrane. RL2-treated cancer cells were efficiently engulfed by phagocytic cells. Using the syngeneic mouse model, we demonstrated that RL2-treated MX-7 rhabdomyosarcoma cells confer long-term immune-mediated protection against challenge with live MX-7 cells. We also analyzed the combinatorial antitumor effect of vaccination with RL2-treated cells and the inhibition of indoleamine 2,3-dioxygenase (IDO) with ethyl pyruvate. Compared to solo anti-tumor immunization with RL2-treated cells, additional chemical inhibition of IDO demonstrated better long-term antitumor responses than vaccination alone.
1-(1-Arylethylpiperidin-4-yl)thymine Analogs as Antimycobacterial TMPK Inhibitors
Authors: Jian Yanlin , Hulpia Fabian , D. P. Risseeuw Martijn , Forbes He Eun , Caljon Guy , Munier-Lehmann Hélène , I. M. Boshoff Helena , Van Calenbergh Serge
Published: June 2020

A series of Mycobacterium tuberculosis TMPK (MtbTMPK) inhibitors based on a reported compound 3 were synthesized and evaluated for their capacity to inhibit MtbTMPK catalytic activity and the growth of a virulent M. tuberculosis strain (H37Rv). Modifications of the scaffold of 3 failed to afford substantial improvements in MtbTMPK inhibitory activity and antimycobacterial activity. Optimization of the substitution pattern of the D ring of 3 resulted in compound 21j with improved MtbTMPK inhibitory potency (three-fold) and H37Rv growth inhibitory activity (two-fold). Moving the 3-chloro substituent of 21j to the para-position afforded isomer 21h, which, despite a 10-fold increase in IC50-value, displayed promising whole cell activity (minimum inhibitory concentration (MIC) = 12.5 μM).
m-Carborane as a Novel Core for Periphery-Decorated Macromolecules
Authors: Bennour Ines , Teixidor Francesc , Kelemen Zsolt , Viñas Clara
Published: June 2020

Closo m-C2B10H12 can perform as a novel core of globular periphery-decorated macromolecules. To do this, a new class of di and tetrabranched m-carborane derivatives has been synthesized by a judicious choice of the synthetic procedure, starting with 9,10-I2-1,7-closo-C2B10H10. The 2a-NPA (sum of the natural charges of the two bonded atoms) value for a bond, which is defined as the sum of the NPA charges of the two bonded atoms, matches the order of electrophilic reaction at the different cluster bonds of the icosahedral o-and m- carboranes that lead to the formation of B-I bonds. As for m-carborane, most of the 2a-NPA values of B-H vertexes are positive, and their functionalization is more challenging. The synthesis and full characterization of dibranched 9,10-R2-1,7-closo-carborane (R = CH2CHCH2, HO(CH2)3, Cl(CH2)3, TsO(CH2)3, C6H5COO(CH2)3, C6H5COO(CH2)3, N3(CH2)3, CH3CHCH, and C6H5C2N3(CH2)3) compounds as well as the tetrabranched 9,10-R2-1,7-R2-closo-C2B10H8 (R = CH2CHCH2, HO(CH2)3) are presented. The X-ray diffraction of 9,10-(HO(CH2)3)2-1,7-closo-C2B10H10 and 9,10-(CH3CHCH)2-1,7-closo-C2B10H10, as well as their Hirshfeld surface analysis and decomposed fingerprint plots, are described. These new reported tetrabranched m-carborane derivatives provide a sort of novel core for the synthesis of 3D radially grown periphery-decorated macromolecules that are different to the 2D radially grown core of the tetrabranched o-carborane framework.
Optical Capacitance/Conductance-Voltage Characteristics of Stored Charges in Organic Light-Emitting Diodes
Authors: Zhang Chengwen , Xu Zheng , Wang Peng , Qin Zilun , Wageh S. , Al-Ghamdi Ahmed , Zhao Suling
Published: June 2020

In this paper, capacitance/conductance-voltage characteristics (C/G-V) under illumination was achieved to investigate the dynamic mechanism of stored charges in OLEDs with a structure of ITO/ PEDOT:PSS/PMMA/Alq3/Al. For all devices, at least two peaks presented in the optical capacitance-voltage curve. Compared to curves of devices under dark, the first peak increased remarkably with a deviation to Vbi, which can be explained in the form of stored charges combined with the optical conductance characteristics. It was also found that a great decrease in capacitance is followed by the collapse of the first peak with PMMA thickness increased. It can account for the presence of interfacial charges, which is proved further by the conductance curves. To the device with 10 nm PMMA, a third peak took place in optical capacitance and it was due to the storage of electrons by PMMA. Also, the first capacitance peak enhanced approximate linearly as the illumination power increased, which can verify the contribution of the stored charges. Additionally, it shows the potential for the stored charges in optical detections.
“On Water” Palladium Catalyzed Direct Arylation of 1H-Indazole and 1H-7-Azaindazole
Authors: Gambouz Khadija , El Abbouchi Abdelmoula , Nassiri Sarah , Suzenet Franck , Bousmina Mostapha , Akssira Mohamed , Guillaumet Gérald , El Kazzouli Saïd
Published: June 2020

The C3 direct arylation of 1H-indazole and 1H-7-azaindazole has been a significant challenge due to the lack of the reactivity at this position. In this paper, we describe a mild and an efficient synthesis of new series of C3-aryled 1H-indazoles and C3-aryled 1H-7-azaindazoles via a C3 direct arylation using water as solvent. On water, PPh3 was effective as a ligand along with a lower charge of the catalyst Pd(OAc)2 (5 mol%) at 100 °C, leading to C3-aryled 1H-indazoles or C3-aryled 1H-7-azaindazoles in moderate to good yields.
Exogenous Melatonin Modulates the Physiological and Biochemical Mechanisms of Drought Tolerance in Tartary Buckwheat (Fagopyrum tataricum (L.) Gaertn)
Authors: Hossain Md. Shakhawat , Li Jing , Sikdar Ashim , Hasanuzzaman Mirza , Uzizerimana Ferdinand , Muhammad Izhar , Yuan Yuhao , Zhang Chengjin , Wang Chenyang , Feng Baili
Published: June 2020

Tartary buckwheat is one of the nutritious minor cereals and is grown in high-cold mountainous areas of arid and semi-arid zones where drought is a common phenomenon, potentially reducing the growth and yield. Melatonin, which is an amphiphilic low molecular weight compound, has been proven to exert significant effects in plants, under abiotic stresses, but its role in the Tartary buckwheat under drought stress remains unexplored. We evaluated the influence of melatonin supplementation on plant morphology and different physiological activities, to enhance tolerance to posed drought stress by scavenging reactive oxygen species (ROS) and alleviating lipid peroxidation. Drought stress decreased the plant growth and biomass production compared to the control. Drought also decreased Chl a, b, and the Fv/Fm ratio by 54%, 70%, and 8%, respectively, which was associated with the disorganized stomatal properties. Under drought stress, H2O2, O2•−, and malondialdehyde (MDA) contents increased by 2.30, 2.43, and 2.22-folds, respectively, which caused oxidative stress. In contrast, proline and soluble sugar content were increased by 84% and 39%, respectively. However, exogenous melatonin (100 µM) could improve plant growth by preventing ROS-induced oxidative damage by increasing photosynthesis, enzymatic antioxidants (superoxide dismutase, peroxidase, catalase, and ascorbate peroxidase), secondary metabolites like phenylalanine ammonialyase, phenolics, and flavonoids, total antioxidant scavenging (free radical DPPH scavenging), and maintaining relative water content and osmoregulation substances under water stress. Therefore, our study suggested that exogenous melatonin could accelerate drought resistance by enhancing photosynthesis and antioxidant defense in Tartary buckwheat plants.
Erratum: Dietary Intervention in Pregnant Women with Gestational Diabetes; Protocol for the DiGest Randomised Controlled Trial; Nutrients 2020, 12, 1165
Authors: Kusinski Laura C , Murphy Helen R , Rolfe Emanuella De Lucia , Rennie Kirsten L. , Griep Linda M. Oude , Hughes Deborah , Taylor Roy , Meek Claire L.
Published: June 2020

The authors would like to correct an error in a recent published paper [...]
Leucine-Enriched Protein Supplementation Increases Lean Body Mass in Healthy Korean Adults Aged 50 Years and Older: A Randomized, Double-Blind, Placebo-Controlled Trial
Authors: Kang Yeji , Kim Namhee , Choi Yong Jun , Lee Yunhwan , Yun Jihye , Park Seok Jun , Park Hyoung Su , Chung Yoon-Sok , Park Yoo Kyoung
Published: June 2020

Early prevention of sarcopenia could be an important strategy for muscle retention, but most studies have focused on subjects aged 65 or older. Therefore, in this study we investigated the effects of leucine-enriched protein supplementation on muscle condition in a sample including late middle-aged adults. A 12-week intervention was performed for 120 healthy community-dwelling adults by providing either leucine-enriched protein supplement [protein 20g(casein 50%+ whey 40%+ soy 10%, total leucine 3000 mg), vitamin D 800IU(20 ug), calcium 300 mg, fat 1.1 g, carbohydrate 2.5 g] or isocaloric carbohydrate supplement twice per day. Appendicular skeletal muscle mass (ASM) and lean body mass (LBM) were measured by dual-energy X-ray absorptiometry. A total of 111 participants completed the study, with a dropout rate of 9.2%. LBM normalized by body weight (LBM/Wt) was significantly increased (p < 0.001) in the intervention group (0 wk: 63.38 ± 0.85 vs. 12 wk 63.68 ± 0.83 in the intervention group; 0 wk: 63.85 ± 0.82 vs. 12 wk: 63.29 ± 0.81 in the control group). In subgroup analyses, significant differences remained only in subjects between 50 and 64 years of age. We concluded that leucine-enriched protein supplementation can have beneficial effects by preventing muscle loss, mainly for late middle-aged adults.
Early Nutrition eAcademy Southeast Asia e-Learning for Enhancing Knowledge on Nutrition during the First 1000 Days of Life
Authors: Brands Brigitte , Chomtho Sirinuch , Suthutvoravut Umaporn , Chiong Meng Boey Christopher , Tang Swee , Godfrey Keith , Koletzko Berthold ,   for the ENeA SEA Project Group
Published: June 2020

Background: The double burden of both under- and overnutrition during the first 1000 days is highly prevalent in Southeast Asia (SEA), with major implications for lifelong health. Tackling this burden requires healthcare professionals (HCPs) to acquire evidence-based current knowledge and counselling skills. We assessed the needs of HCPs in SEA and developed a continuing medical education/professional development (CME/CPD) program using an e-learning platform to reduce existing gaps. Methods: European, Thai and Malaysian universities collaborated with SEA national nutrition associations in the Early Nutrition eAcademy Southeast Asia (ENeA SEA) project. We assessed HCPs’ needs using questionnaires and mapped CME/CPD programmes and regulations through stakeholder questionnaires. Using a co-creation approach, we established an e-learning platform. Evaluation in users was undertaken using questionnaires. Results: HCPs in SEA reported major training gaps relating to the first 1000 days of nutrition and limited impact of existing face-to-face training. Existing pre/postgraduate, residency and CME/CPD programmes did not adequately address the topic. To address these gaps, we produced a targeted e-learning platform with six modules and CME-tests. National ministries, Thai and Malaysian universities, and professional associations endorsed the training platform. To date, over 2600 HCPs have registered. Evaluation shows high acceptance and a very positive assessment. Conclusions: Dedicated e-learning can reduce major gaps in HCP training in SEA regarding nutrition during the first 1000 days of life at scale and is highly valued by both users and key stakeholders.
Barriers to Preparing and Cooking Vegetables Are Associated with Decreased Home Availability of Vegetables in Low-Income Households
Authors: Landry Matthew J. , Burgermaster Marissa , van den Berg Alexandra E. , Asigbee Fiona M. , Vandyousefi Sarvenaz , Ghaddar Reem , Jeans Matthew R. , Yau Adelyn , Davis Jaimie N.
Published: June 2020

Knowing which barriers to buying and preparing/cooking vegetables at home are linked with the home availability of vegetables and how food-security status impacts this relationship will facilitate the tailoring of future public health interventions. Baseline data were used from an elementary-school-based intervention. Data on household food-security status, availability of vegetables at home, and barriers to buying and preparing/cooking vegetables were collected from 1942 parents. Differences between food-secure and food-insecure households were examined for barriers to buying and preparing/cooking vegetables. Mixed-effects linear regression was used to estimate the associations between barriers to buying and preparing/cooking vegetables and food-security status on the home availability of vegetables. Food insecurity was reported in 27% of households. Food-insecure households were significantly more likely to report barriers to buying and preparing/cooking vegetables. The barriers to purchasing/cooking vegetables score was associated with a decrease in the home availability of vegetables score (β = −0.77; 95% CI: −0.88, −0.65; p < 0.001). Compared to food-secure households, food-insecure households were 15% less likely to have home vegetable availability (β = −1.18; 95% CI: −1.45, −0.92; p < 0.001). Although home availability of vegetables does not guarantee consumption, this study identified specific barriers that were associated with availability that can be targeted in future interventions seeking to improve vegetable consumption in the homes of low-income families.
Working within the Design Space: Do Our Static Process Characterization Methods Suffice?
Authors: von Stosch Moritz , Schenkendorf René , Geldhof Geoffroy , Varsakelis Christos , Mariti Marco , Dessoy Sandrine , Vandercammen Annick , Pysik Alexander , Sanders Matthew
Published: June 2020

The Process Analytical Technology initiative and Quality by Design paradigm have led to changes in the guidelines and views of how to develop drug manufacturing processes. On this occasion the concept of the design space, which describes the impact of process parameters and material attributes on the attributes of the product, was introduced in the ICH Q8 guideline. The way the design space is defined and can be presented for regulatory approval seems to be left to the applicants, among who at least a consensus on how to characterize the design space seems to have evolved. The large majority of design spaces described in publications seem to follow a “static” statistical experimentation and modeling approach. Given that temporal deviations in the process parameters (i.e., moving within the design space) are of a dynamic nature, static approaches might not suffice for the consideration of the implications of variations in the values of the process parameters. In this paper, different forms of design space representations are discussed and the current consensus is challenged, which in turn, establishes the need for a dynamic representation and characterization of the design space. Subsequently, selected approaches for a dynamic representation, characterization and validation which are proposed in the literature are discussed, also showcasing the opportunity to integrate the activities of process characterization, process monitoring and process control strategy development.
Characterization and Model Validation for Large Format Chopped Fiber, Foamed, Composite Structures Made from Recycled Olefin Based Polymers
Authors: Pulipati Daniel P. , Jack David A.
Published: June 2020

The purpose of this research is to predict the material performance of large format foamed core composite structures, such as crossties or structural timbers, using only constitutive properties. These structures are fabricated from recycled post-consumer/post-industrial waste composed of High-Density Polyethylene (HDPE) and Glass Filled Polypropylene (GFPP). A technical challenge in predicting the final part performance is the mathematical correlation between the microstructural variations and the macroscopic responses as a function of fiber aspect ratio, cell density, and constitutive properties of the polymer blend. The structures investigated have a dense and consolidated outer shell and a closed cell foamed core. The non-linear shell and the foamed core material properties are analyzed with micromechanics models, and the reference stress of the shell and core is predicted using a modified Rule of Mixtures model. The predicted properties are used as the inputs for a Finite Element Analysis (FEA) model, and the computational results are compared to experimental four-point bend test results for sixteen samples performed on a 120-kip compression stage. The results show that the mean of the characterized deflections from the four-point bend tests did not show any variations for an isotropic and transversely isotropic model using a linear analysis. This model was then extended to a non-linear analysis using the Ramberg–Osgood model to predict the full crosstie four-point bend test behavior. The FEA model results show a deviation of 2.45 kN compared to the experimental variation of 3.58 kN between the samples measured.
Industrial-Scale Study of the Chemical Composition of Olive Oil Process-Derived Matrices
Authors: Jebabli Haifa , Nsir Houda , Taamalli Amani , Abu-Reidah Ibrahim , Álvarez-Martínez Francisco Javier , Losada-Echeberria Maria , Barrajón Catalán Enrique , Mhamdi Ridha
Published: June 2020

The effect of the industrial process and collecting period on produced olive oil and by-products was evaluated. Obtained results showed significant variations for the majority of quality indices before and after vertical centrifugation between all samples from the three collecting periods. All samples were rich in monounsaturated fatty acid: Oleic acid (C18:1) with a maximum of 69.95%. The total polyphenols and individual phenolic compounds varied significantly through the extraction process, with a significant variation between olive oil and by-products. Notably, the percentage of secoiridoids and their derivatives was significant in paste and olive oil, highlighting the activity of many enzymes released during the different extraction steps. Regarding antioxidant capacity, the most remarkable result was detected in olive oil and olive mill wastewater samples.
Accurate Simulation of Neutrons in Less Than One Minute Pt. 2: Sandman—GPU-Accelerated Adjoint Monte-Carlo Sampled Acceptance Diagrams
Authors: Bentley Phillip
Published: June 2020

A computational method in the modelling of neutron beams is described that blends neutron acceptance diagrams, GPU-based Monte-Carlo sampling, and a Bayesian approach to efficiency. The resulting code reaches orders of magnitude improvement in performance relative to existing methods. For example, data rates similar to world-leading, real instruments can be achieved on a 2017 laptop, generating 10 6 neutrons per second at the sample position of a high-resolution small angle scattering instrument. The method is benchmarked, and is shown to be in agreement with previous work. Finally, the method is demonstrated on a mature instrument design, where a sub-second turnaround in an interactive simulation process allows the rapid exploration of a wide range of options. This results in a doubling of the design performance, at the same time as reducing the hardware cost by 40%.
Analyzing Urban Agriculture’s Contribution to a Southern City’s Resilience through Land Cover Mapping: The Case of Antananarivo, Capital of Madagascar
Authors: Dupuy Stéphane , Defrise Laurence , Lebourgeois Valentine , Gaetano Raffaele , Burnod Perrine , Tonneau Jean-Philippe
Published: June 2020

High urbanization rates in cities lead to rapid changes in land uses, particularly in southern cities where population growth is fast. Urban and peri-urban agricultural land is often seen as available space for the city to expand, but at the same time, agricultural land provides many benefits to cities pertaining to food, employment, and eco-services. In this context, there is an urgent need to provide spatial information to support planning in complex urban systems. The challenge is to integrate analysis of agriculture and urban land-cover classes, and of their spatial and functional patterns. This paper takes up this challenge in Antananarivo (Madagascar), where agricultural plots and homes are interlocked and very small. It innovates by using a methodology already tested in rural settings, but never applied to urban environments. The key step of the analysis is to produce landscape zoning based on multisource satellite data to identify agri-urban functional areas within the city, and to explore their relationships. Our results demonstrate that the proposed classification method is well suited for mapping agriculture and urban land cover (overall accuracy = 76.56% for the 20 classes of level 3) in such a complex setting. The systemic analysis of urban agriculture patterns and functions can help policymakers and urban planners to design and build resilient cities.
Suitability of the MODIS-NDVI Time-Series for a Posteriori Evaluation of the Citrus Tristeza Virus Epidemic
Authors: Vanella Daniela , Consoli Simona , Ramírez-Cuesta Juan Miguel , Tessitori Matilde
Published: June 2020

The technological advances of remote sensing (RS) have allowed its use in a number of fields of application including plant disease depiction. In this study, an RS approach based on an 18-year (i.e., 2001–2018) time-series analysis of Normalized Difference Vegetation Index (NDVI) data, derived from the Moderate Resolution Imaging Spectroradiometer (MODIS) and processed with TIMESAT free software, was applied in Sicily (insular Italy). The RS approach was carried out in four orchards infected by Citrus tristeza virus (CTV) at different temporal stages and characterized by heterogeneous conditions (e.g., elevation, location, plant age). The temporal analysis allowed the identification of specific metrics of the NDVI time-series at the selected sites during the study period. The most reliable parameter which was able to identify the temporal evolution of CTV syndrome and the impact of operational management practices was the “Base value” (i.e., average NDVI during the growing seasons, which reached R2 values up to 0.88), showing good relationships with “Peak value”, “Small integrated value” and “Amplitude”, with R2 values of 0.63, 0.70 and 0.75, respectively. The approach herein developed is valid to be transferred to regional agencies involved in and/or in charge of the management of plant diseases, especially if it is integrated with ground-based early detection methods or high-resolution RS approaches, in the case of quarantine plant pathogens requiring control measures at large-scale level.
Simultaneous Measurement of 6DOF Motion Errors of Linear Guides of CNC Machine Tools Using Different Modes
Authors: Jia Peizhi , Zhang Bin , Feng Qibo , Zheng Fajia
Published: June 2020

Based on the prior work on the six degrees of freedom (6DOF) motion errors measurement system for linear axes, and for the different types of machine tools and different installation methods, this study used a ray tracing idea to establish the measurement models for two different measurement modes: (1) the measurement head is fixed and the target mirror moves and (2) the target mirror is fixed and the measurement head moves. Several experiments were performed on the same linear guide using two different measurement modes. The comparative experiments show that the two measurement modes and their corresponding measurement models are correct and effective. In the actual measurement process, it is therefore possible to select the corresponding measurement model according to the measurement mode. Furthermore, the correct motion error evaluation results can be obtained.
Modelling Multimodal Dialogues for Social Robots Using Communicative Acts
Authors: Fernández-Rodicio Enrique , Castro-González Álvaro , Alonso-Martín Fernando , Maroto-Gómez Marcos , Salichs Miguel Á.
Published: June 2020

Social Robots need to communicate in a way that feels natural to humans if they are to effectively bond with the users and provide an engaging interaction. Inline with this natural, effective communication, robots need to perceive and manage multimodal information, both as input and output, and respond accordingly. Consequently, dialogue design is a key factor in creating an engaging multimodal interaction. These dialogues need to be flexible enough to adapt to unforeseen circumstances that arise during the conversation but should also be easy to create, so the development of new applications gets simpler. In this work, we present our approach to dialogue modelling based on basic atomic interaction units called Communicative Acts. They manage basic interactions considering who has the initiative (the robot or the user), and what is his/her intention. The two possible intentions are either ask for information or give information. In addition, because we focus on one-to-one interactions, the initiative can only be taken by the robot or the user. Communicative Acts can be parametrised and combined in a hierarchical manner to fulfil the needs of the robot’s applications, and they have been equipped with built-in functionalities that are in charge of low-level communication tasks. These tasks include communication error handling, turn-taking or user disengagement. This system has been integrated in Mini, a social robot that has been created to assist older adults with cognitive impairment. In a case of use, we demonstrate the operation of our system as well as its performance in real human–robot interactions.
Kinetic Exclusion Assay of Biomolecules by Aptamer Capture
Authors: Smith Mark H. , Fologea Daniel
Published: June 2020

DNA aptamers are short nucleotide oligomers selected to bind a target ligand with affinity and specificity rivaling that of antibodies. These remarkable features recommend aptamers as candidates for analytical and therapeutic applications that traditionally use antibodies as biorecognition elements. Numerous traditional and emerging analytical techniques have been proposed and successfully implemented to utilize aptamers for sensing purposes. In this work, we exploited the analytical capabilities offered by the kinetic exclusion assay technology to measure the affinity of fluorescent aptamers for their thrombin target and quantify the concentration of analyte in solution. Standard binding curves constructed by using equilibrated mixtures of aptamers titrated with thrombin were fitted with a 1:1 binding model and provided an effective Kd of the binding in the sub-nanomolar range. However, our experimental results suggest that this simple model does not satisfactorily describe the binding process; therefore, the possibility that the aptamer is composed of a mixture of two or more distinct Kd populations is discussed. The same standard curves, together with a four-parameter logistic equation, were used to determine “unknown” concentrations of thrombin in mock samples. The ability to identify and characterize complex binding stoichiometry, together with the determination of target analyte concentrations in the pM–nM range, supports the adoption of this technology for kinetics, equilibrium, and analytical purposes by employing aptamers as biorecognition elements.
The Use of the Blockchain Technology and Digital Watermarking to Provide Data Authenticity on a Mining Enterprise
Authors: Evsutin Oleg , Meshcheryakov Yaroslav
Published: June 2020

Prompt development of information technology has made an essential impact on many industries. There appeared a concept “Industry 4.0” symbolizing the fourth industrial revolution. The given concept is closely connected with such promising technologies as the Internet of Things, blockchain, fog computing, Big Data. In the present research, the sphere of the mining industry is examined. We discuss the possibility to increase the efficiency of mining enterprises at the expense of the development of common information space based on modern digital technologies. We analyze security problems at the level of data flow between the participants of the production process on a mining enterprise. We define the problem of providing the reliability of data on the production course on mining enterprise in the conditions of the possible connection loss between the control center and separate technological units. We offer a new approach to the solution of the given problems, based on the technology of blockchain and digital watermarking. The computing experiment is conducted presenting a possibility to implement the offered approaches on common models of microcontrollers.
Exploration and Research of Human Identification Scheme Based on Inertial Data
Authors: Gao Zhenyi , Sun Jiayang , Yang Haotian , Tan Jiarui , Zhou Bin , Wei Qi , Zhang Rong
Published: June 2020

The identification work based on inertial data is not limited by space, and has high flexibility and concealment. Previous research has shown that inertial data contains information related to behavior categories. This article discusses whether inertial data contains information related to human identity. The classification experiment, based on the neural network feature fitting function, achieves 98.17% accuracy on the test set, confirming that the inertial data can be used for human identification. The accuracy of the classification method without feature extraction on the test set is only 63.84%, which further indicates the need for extracting features related to human identity from the changes in inertial data. In addition, the research on classification accuracy based on statistical features discusses the effect of different feature extraction functions on the results. The article also discusses the dimensionality reduction processing and visualization results of the collected data and the extracted features, which helps to intuitively assess the existence of features and the quality of different feature extraction effects.
Special Issue on Remote Sensing of Ocean Color: Theory and Applications
Authors: Platt Trevor , Sathyendranath Shubha , Bouman Heather , Brockmann Carsten , McKee David
Published: June 2020

The editorial team are delighted to present this Special Issue of Sensors focused on Remote Sensing of Ocean Color: Theory and Applications. We believe that this is a timely opportunity to showcase current developments across a broad range of topics in ocean color remote sensing (OCRS). Although the field is well-established, in this Special Issue we are able to highlight advances in the applications of the technology, our understanding of the underpinning science, and its relevance in the context of monitoring climate change and engaging public participation.
Foreign Object Intrusion Detection on Metro Track Using Commodity WiFi Devices with the Fast Phase Calibration Algorithm
Authors: Li Shuo , Xie Jin , Zhou Feng , Liu Weirong , Li Heng
Published: June 2020

With continuous development in the scales of cities, the role of the metro in urban transportation is becoming more and more important. When running at a high speed, the safety of the train in the tunnel is significantly affected by any foreign objects. To address this problem, we propose a foreign object intrusion detection method based on WiFi technology, which uses radio frequency (RF) signals to sense environmental changes and is suitable for lightless tunnel environments. Firstly, based on extensive experiments, the abnormal phase offset between the RF chains of the WiFi network card and its offset law was observed. Based on this observation, a fast phase calibration method is proposed. This method only needs the azimuth information between the transmitter and the receiver to calibrate the the phase offset rapidly through the compensation of the channel state information (CSI) data. The time complexity of the algorithm is lower than the existing algorithm. Secondly, a method combining the MUSIC algorithm and static clutter suppression is proposed. This method utilizes the incoherence of the dynamic reflection signal to improve the efficiency of foreign object detection and localization in the tunnel with a strong multipath effect. Finally, experiments were conducted using Intel 5300 NIC in the indoor environment that was close to the tunnel environment. The performance of the detection probability and localization accuracy of the proposed method is tested.
Layered Double Hydroxide-Modified Organic Electrochemical Transistor for Glucose and Lactate Biosensing
Authors: Gualandi Isacco , Tessarolo Marta , Mariani Federica , Arcangeli Danilo , Possanzini Luca , Tonelli Domenica , Fraboni Beatrice , Scavetta Erika
Published: June 2020

Biosensors based on Organic Electrochemical Transistors (OECTs) are developed for the selective detection of glucose and lactate. The transistor architecture provides signal amplification (gain) with respect to the simple amperometric response. The biosensors are based on a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) channel and the gate electrode is functionalised with glucose oxidase (GOx) or lactate oxidase (LOx) enzymes, which are immobilised within a Ni/Al Layered Double Hydroxide (LDH) through a one-step electrodeposition procedure. The here-designed OECT architecture allows minimising the required amount of enzyme during electrodeposition. The output signal of the biosensor is the drain current (Id), which decreases as the analyte concentration increases. In the optimised conditions, the biosensor responds to glucose in the range of 0.1–8.0 mM with a limit of detection (LOD) of 0.02 mM. Two regimes of proportionality are observed. For concentrations lower than 1.0 mM, a linear response is obtained with a mean gain of 360, whereas for concentrations higher than 1.0 mM, Id is proportional to the logarithm of glucose concentration, with a gain of 220. For lactate detection, the biosensor response is linear in the whole concentration range (0.05–8.0 mM). A LOD of 0.04 mM is reached, with a net gain equal to 400.