bluuebunny/crossref_metadata_2025 huggingface dataset:
Resveratrol: A Fair Race Towards Replacing Sulfites in Wines
Authors: Kontaxakis Emmanouil , Trantas Emmanouil , Ververidis Filippos
Published: May 2020

In recent years, significant efforts to produce healthier wines has led to the replacement or reduction of the addition of sulfites, using alternative substances or techniques. Resveratrol and related biophenols seem to be of great interest, since beyond their protective nature and contrary to sulfites they can positively affect consumer health. These bioactive phytochemicals are naturally produced in grapes as evolutionary acquired mechanisms against pathogens and UV irradiation. However, despite the efforts made so far attempting to develop economic and industrially adopted isolation techniques, available quantities of these biophenols for commercial use are still quite limited. Therefore, such molecules are still not able to meet the needs of industrial use due to their prohibitive marketable cost. In this review we summarize the efforts that have been made to biosynthesize these molecules through alternative, innovative ways. Increasing interest in modern biotechnological approaches has shed light on the exploitation of metabolically engineered microbial factories, instead of plants, to produce molecules of industrial interest. Such approaches, also reviewed here, are expected to lower the cost and appear promising to produce enough surplus to attract further oenological experimentation upon yielding functional wines. This development is expected to attract further industrial attention, continuing the race to partially or totally replace the external addition of sulfites. We also review important physicochemical properties of resveratrol in relation to enriching wines.
Production and Mechanical Characterisation of TEMPO-Oxidised Cellulose Nanofibrils/β-Cyclodextrin Films and Cryogels
Authors: Michel Bastien , Bras Julien , Dufresne Alain , Heggset Ellinor B. , Syverud Kristin
Published: May 2020

Wood-based TEMPO-oxidised cellulose nanofibrils (toCNF) are promising materials for biomedical applications. Cyclodextrins have ability to form inclusion complexes with hydrophobic molecules and are considered as a method to bring new functionalities to these materials. Water sorption and mechanical properties are also key properties for biomedical applications such as drug delivery and tissue engineering. In this work, we report the modification with β-cyclodextrin (βCD) of toCNF samples with different carboxyl contents viz. 756 ± 4 µmol/g and 1048 ± 32 µmol/g. The modification was carried out at neutral and acidic pH (2.5) to study the effect of dissociation of the carboxylic acid group. Films processed by casting/evaporation at 40 °C and cryogels processed by freeze-drying were prepared from βCD modified toCNF suspensions and compared with reference samples of unmodified toCNF. The impact of modification on water sorption and mechanical properties was assessed. It was shown that the water sorption behaviour for films is driven by adsorption, with a clear impact of the chemical makeup of the fibres (charge content, pH, and adsorption of cyclodextrin). Modified toCNF cryogels (acidic pH and addition of cyclodextrins) displayed lower mechanical properties linked to the modification of the cell wall porosity structure. Esterification between βCD and toCNF under acidic conditions was performed by freeze-drying, and such cryogels exhibited a lower decrease in mechanical properties in the swollen state. These results are promising for the development of scaffold and films with controlled mechanical properties and added value due to the ability of cyclodextrin to form an inclusion complex with active principle ingredient (API) or growth factor (GF) for biomedical applications.
Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate
Authors: Voronin Alexander P. , Surov Artem O. , Churakov Andrei V. , Parashchuk Olga D. , Rykounov Alexey A. , Vener Mikhail V.
Published: May 2020

Synthesis of multicomponent solid forms is an important method of modifying and fine-tuning the most critical physicochemical properties of drug compounds. The design of new multicomponent pharmaceutical materials requires reliable information about the supramolecular arrangement of molecules and detailed description of the intermolecular interactions in the crystal structure. It implies the use of a combination of different experimental and theoretical investigation methods. Organic salts present new challenges for those who develop theoretical approaches describing the structure, spectral properties, and lattice energy Elatt. These crystals consist of closed-shell organic ions interacting through relatively strong hydrogen bonds, which leads to Elatt > 200 kJ/mol. Some technical problems that a user of periodic (solid-state) density functional theory (DFT) programs encounters when calculating the properties of these crystals still remain unsolved, for example, the influence of cell parameter optimization on the Elatt value, wave numbers, relative intensity of Raman-active vibrations in the low-frequency region, etc. In this work, various properties of a new two-component carbendazim maleate crystal were experimentally investigated, and the applicability of different DFT functionals and empirical Grimme corrections to the description of the obtained structural and spectroscopic properties was tested. Based on this, practical recommendations were developed for further theoretical studies of multicomponent organic pharmaceutical crystals.
Identification of Substituted Amino Acid Hydrazides as Novel Anti-Tubercular Agents, Using a Scaffold Hopping Approach
Authors: Brown Alistair K. , Aljohani Ahmed K. B. , Alsalem Fatimah M. A. , Broadhead Joseph L. , Gill Jason H. , Lu Yucheng , Sellars Jonathan D.
Published: May 2020

Discovery and development of new therapeutic options for the treatment of Mycobacterium tuberculosis (Mtb) infection, particularly drug-resistant strains, are urgently required to tackle the global burden of this disease. Herein, we reported the synthesis of a novel series of N-substituted amino acid hydrazides, utilising a scaffold hopping approach within a library of anti-tubercular agents. Efficacy and selectivity were evaluated against three strains of Mtb (wild-type, isoniazid-resistant and rifampicin-resistant), and cytotoxicity against macrophages in vitro. The antibacterial activity and therapeutic index of these molecules were significantly affected by modifications with the N-substituents. Introduction of a 3,5-dinitroaryl moiety demonstrated enhanced antibacterial activity against all three strains of Mtb. In contrast, the inclusion of an imidazo [1,2-a]pyridine-3-carboxy moiety resulted in enhanced activity towards isoniazid mono-resistant Mtb relative to wild-type Mtb. Consequently, this scaffold hopping approach showed significant promise for exemplification of novel molecules with specific activity profiles against drug-resistant tuberculosis.
Antimicrobial Activity of Different Artemisia Essential Oil Formulations
Authors: Das Sourav , Vörös-Horváth Barbara , Bencsik Tímea , Micalizzi Giuseppe , Mondello Luigi , Horváth Györgyi , Kőszegi Tamás , Széchenyi Aleksandar
Published: May 2020

The extreme lipophilicity of essential oils (EOs) impedes the measurement of their biological actions in an aqueous environment. We formulated oil in water type Pickering Artemisia annua EO nanoemulsions (AEP) with surface-modified Stöber silica nanoparticles (20 nm) as the stabilizing agent. The antimicrobial activity of AEP and its effects on mature Candida biofilms were compared with those of Tween 80 stabilized emulsion (AET) and ethanolic solution (AEE) of the Artemisia EO. The antimicrobial activity was evaluated by using the minimum inhibitory concentrations (MIC90) and minimum effective concentrations (MEC10) of the compounds. On planktonic bacterial and fungal cells beside growth inhibition, colony formation (CFU/mL), metabolic activity, viability, intracellular ATP/total protein (ATP/TP), along with reactive oxygen species (ROS) were also studied. Artemisia annua EO nanoemulsion (AEP) showed significantly higher antimicrobial activity than AET and AEE. Artemisia annua EO nanoemulsions (AEP) generated superoxide anion and peroxides-related oxidative stress, which might be the underlying mode of action of the Artemisia EO. Unilamellar liposomes, as a cellular model, were used to examine the delivery efficacy of the EO of our tested formulations. We could demonstrate higher effectiveness of AEP in the EO components’ donation compared to AET and AEE. Our data suggest the superiority of the AEP formulation against microbial infections.
Pretreatment of Anthocyanin from the Fruit of Vitis coignetiae Pulliat Acts as a Potent Inhibitor of TNF-α Effect by Inhibiting NF-κB-Regulated Genes in Human Breast Cancer Cells
Authors: Paramanantham Anjugam , Kim Min Jeong , Jung Eun Joo , Nagappan Arulkumar , Yun Jeong Won , Kim Hye Jung , Shin Sung Chul , Kim Gon Sup , Lee Won Sup
Published: May 2020

Vitis coignetiae Pulliat (Meoru in Korea) has been used in Korean folk medicine for the treatment of inflammatory diseases and cancers. Evidence suggests that NF-κB activation is mainly involved in cancer cell proliferation, invasion, angiogenesis, and metastasis. TNF-α also enhances the inflammatory process in tumor development. Recently, flavonoids from plants have been reported to have inhibitory effects on NF-κB activities. We investigated the effects of anthocyanins extracted from the fruits of Vitis coignetiae Pulliat (AIM, anthocyanins isolated from Meoru (AIM)) on TNF-α-induced NF-κB activities in MCF-7 human breast cancer cells and the molecules involved in AIM-induced anti-cancer effects, especially on cancer metastasis. We performed cell viability assay, gelatin zymography, invasion assay, and western blot analysis to unravel the anti-NF-κB activity of AIMs on MCF-7 cells. AIM suppressed the TNF-α effects on the NF-κB-regulated proteins involved in cancer cell proliferation (COX-2, C-myc), invasion, and angiogenesis (MMP-2, MMP9, ICAM-1, and VEGF). AIM also increased the expression of E-cadherin, which is one of the hallmarks of the epithelial-mesenchymal transition (EMT) process. In conclusion, this study demonstrates that the anthocyanins isolated from the fruits of Vitis coignetiae Pulliat acts as an inhibitor of TNF-α induced NF-κB activation, and subsequent downstream molecules involved in cancer proliferation, invasion, adhesion, angiogenesis, and thus have anti-metastatic activities in MCF-7 breast cancer cells.
Selective Synthesis and Photoluminescence Study of Pyrazolopyridopyridazine Diones and N-Aminopyrazolopyrrolopyridine Diones
Authors: Tseng Ching-Chun , Chung Cheng-Yen , Tsai Shuo-En , Takayama Hiroyuki , Uramaru Naoto , Lin Chin-Yu , Wong Fung Fuh
Published: May 2020

The newly designed luminol structures of pyrazolopyridopyridazine diones and N-aminopyrazolopyrrolopyridine diones were synthesized from versatile 1,3-diaryfuropyrazolopyridine-6,8-diones, 1,3-diarylpyrazolopyrrolopyridine-6,8-diones, or 1,3-diaryl-7-methylpyrazolopyrrolopyridine-6,8-diones with hydrazine monohydrate. Photoluminescent and solvatofluorism properties containing UV–Vis absorption, emission spectra, and quantum yield (Φf) study of pyrazolopyridopyridazine diones and N-aminopyrazolopyrrolopyridine diones were also studied. Generally, most of pyrazolopyrrolopyridine-6,8-diones 6 exhibited the significant fluorescence intensity and the substituent effect when compared with N-aminopyrazolopyrrolopyridine diones, particularly for 6c and 6j with a m-chloro group. Additionally, the fluorescence intensity of 6j was significantly promoted due to the suitable conjugation conformation. Based on the quantum yield (Φf) study, the value of compound 6j (0.140) with planar structural skeletal was similar to that of standard luminol (1, 0.175).
Effect of Mo Dispersion on the Catalytic Properties and Stability of Mo–Fe Catalysts for the Partial Oxidation of Methanol
Authors: Zhang Shuai , Han Minghan
Published: May 2020

Mo–Fe catalysts with different Mo dispersions were synthesized with fast (Cat-FS, 600 r·min−1) or slow stirring speed (Cat-SS, 30 r·min−1) by the coprecipitation method. Improving the stirring speed strengthened the mixing of the solution and increased the dispersion of particles in the catalyst, which exhibited favorable activity and selectivity. The byproduct (dimethyl ether (DME)) selectivity increased from 2.3% to 2.8% with Cat-SS, while it remained unchanged with Cat-FS in a stability test. The aggregation of particles and thin Mo-enriched surface layer decreased the catalyst surface area and slowed down the reoxidation of reduced active sites with Cat-SS, leaving more oxygen vacancies which promoted the formation of DME by the nonoxidative channel.
Deboronation-Induced Ratiometric Emission Variations of Terphenyl-Based Closo-o-Carboranyl Compounds: Applications to Fluoride-Sensing
Authors: So Hyunhee , Mun Min Sik , Kim Mingi , Kim Jea Ho , Lee Ji Hye , Hwang Hyonseok , An Duk Keun , Lee Kang Mun
Published: May 2020

Closo-o-carboranyl compounds bearing the ortho-type perfectly distorted or planar terphenyl rings (closo-DT and closo-PT, respectively) and their nido-derivatives (nido-DT and nido-PT, respectively) were synthesized and fully characterized using multinuclear NMR spectroscopy and elemental analysis. Although the emission spectra of both closo-compounds exhibited intriguing emission patterns in solution at 298 and 77 K, in the film state, closo-DT mainly exhibited a π-π* local excitation (LE)-based emission in the high-energy region, whereas closo-PT produced an intense emission in the low-energy region corresponding to an intramolecular charge transfer (ICT) transition. In particular, the positive solvatochromic effect of closo-PT and theoretical calculation results at the first excited (S1) optimized structure of both closo-compounds strongly suggest that these dual-emissive bands at the high- and low-energy can be assigned to each π-π* LE and ICT transition. Interestingly, both the nido-compounds, nido-DT and nido-PT, exhibited the only LE-based emission in solution at 298 K due to the anionic character of the nido-o-carborane cages, which cannot cause the ICT transitions. The specific emissive features of nido-compounds indicate that the emissive color of closo-PT in solution at 298 K is completely different from that of nido-PT. As a result, the deboronation of closo-PT upon exposure to increasing concentrations of fluoride anion exhibits a dramatic ratiometric color change from orange to deep blue via turn-off of the ICT-based emission. Consequently, the color change response of the luminescence by the alternation of the intrinsic electronic transitions via deboronation as well as the structural feature of terphenyl rings indicates the potential of the developed closo-o-carboranyl compounds that exhibit the intense ICT-based emission, as naked-eye-detectable chemodosimeters for fluoride ion sensing.
Silymarin and Derivatives: From Biosynthesis to Health Benefits
Authors: Delmas Dominique
Published: May 2020

The past decade has been marked by an intense scientific interest in the use of compounds or micronutrients of natural origin and their potential effects on human health, both from researchers and industry [...]
Selenonium Ylides: Syntheses, Structural Aspects, and Synthetic Applications
Authors: Drabowicz Józef , Rzewnicka Aneta , Żurawiński Remigiusz
Published: May 2020

The goals of this mini review constitute (a) a presentation of the synthetic protocols applied to the preparation of achiral and non-racemic selenonium ylides; (b) discussion of their basic structural features, including their optical activity; and (c) a description of their synthetic applications in general synthetic methodology and in asymmetric synthesis.
Does NLRP3 Inflammasome and Aryl Hydrocarbon Receptor Play an Interlinked Role in Bowel Inflammation and Colitis-Associated Colorectal Cancer?
Authors: Ngui Ivan Qi Han , Perera Agampodi Promoda , Eri Rajaraman
Published: May 2020

Inflammation is a hallmark in many forms of cancer; with colitis-associated colorectal cancer (CAC) being a progressive intestinal inflammation due to inflammatory bowel disease (IBD). While this is an exemplification of the negatives of inflammation, it is just as crucial to have some degree of the inflammatory process to maintain a healthy immune system. A pivotal component in the maintenance of such intestinal homeostasis is the innate immunity component, inflammasomes. Inflammasomes are large, cytosolic protein complexes formed following stimulation of microbial and stress signals that lead to the expression of pro-inflammatory cytokines. The NOD-, LRR- and pyrin domain-containing protein 3 (NLRP3) inflammasome has been extensively studied in part due to its strong association with colitis and CAC. The aryl hydrocarbon receptor (AhR) has recently been acknowledged for its connection to the immune system aside from its role as an environmental sensor. AhR has been described to play a role in the inhibition of the NLRP3 inflammasome activation pathway. This review will summarise the signalling pathways of both the NLRP3 inflammasome and AhR; as well as new-found links between these two signalling pathways in intestinal immunity and some potential therapeutic agents that have been found to take advantage of this link in the treatment of colitis and CAC.
Structural and Photophysical Properties of 2,1,3-Benzothiadiazole-Based Phosph(III)azane and Its Complexes
Authors: Khisamov Radmir , Sukhikh Taisiya , Bashirov Denis , Ryadun Alexey , Konchenko Sergey
Published: May 2020

Here we describe the synthesis of a novel N,N’-bis(2,1,3-benzothiadiazol-4-yl)-1-phenylphosphanediamine (H2L) and its zinc (II) and copper (I) coordination compounds [Zn2L2]·nC7H8 (1·nC7H8), [Zn2(H2L)2Cl4]·nC7H8 (2·nC7H8), and [Cu(H2L)Cl]n·nTHF (3·THF). According to single crystal X-ray diffraction analysis, H2L ligand and its deprotonated species exhibit different coordination modes. An interesting isomerism is observed for the complexes [Zn2(H2L)2Cl4] (2a and 2b) that differ by the arrangement of H2L. Both complexes possess internal cavities capable of incorporating toluene molecules. Upon toluene release, the geometry of 2b changes substantially, while that of 2a changes slightly. Due to the diverse structures, the compounds 1–3 reveal different photophysical properties. These results are discussed based on previously reported studies and DFT (density functional theory) calculations.
Synergistic Activity of Nitroimidazole-Oxazolidinone Conjugates against Anaerobic Bacteria
Authors: Zhuang Zhijun , Wan Dawei , Ding Jun , He Shijie , Zhang Qian , Wang Xiaomei , Yuan Ying , Lu Yu , Z. Ding Charles , Lynch Anthony Simon , M. Upton Anna , B. Cooper Christopher , A. Denny William , Ma Zhenkun
Published: May 2020

The introductions of the bicyclic 4-nitroimidazole and the oxazolidinone classes of antimicrobial agents represented the most significant advancements in the infectious disease area during the past two decades. Pretomanid, a bicyclic 4-nitroimidazole, and linezolid, an oxazolidinone, are also part of a combination regimen approved recently by the US Food and Drug Administration for the treatment of pulmonary, extensively drug resistant (XDR), treatment-intolerant or nonresponsive multidrug-resistant (MDR) Mycobacterium tuberculosis (TB). To identify new antimicrobial agents with reduced propensity for the development of resistance, a series of dual-acting nitroimidazole-oxazolidinone conjugates were designed, synthesized and evaluated for their antimicrobial activity. Compounds in this conjugate series have shown synergistic activity against a panel of anaerobic bacteria, including those responsible for serious bacterial infections.
Bifunctional Tm3+,Yb3+:GdVO4@SiO2 Core-Shell Nanoparticles in HeLa Cells: Upconversion Luminescence Nanothermometry in the First Biological Window and Biolabelling in the Visible
Authors: Savchuk Oleksandr , Carvajal Marti Joan Josep , Cascales Concepción , Haro-Gonzalez Patricia , Sanz-Rodríguez Francisco , Aguilo Magdalena , Diaz Francesc
Published: May 2020

The bifunctional possibilities of Tm,Yb:GdVO4@SiO2 core-shell nanoparticles for temperature sensing by using the near-infrared (NIR)-excited upconversion emissions in the first biological window, and biolabeling through the visible emissions they generate, were investigated. The two emission lines located at 700 and 800 nm, that arise from the thermally coupled 3F2,3 and 3H4 energy levels of Tm3+, were used to develop a luminescent thermometer, operating through the Fluorescence Intensity Ratio (FIR) technique, with a very high thermal relative sensitivity. Moreover, since the inert shell surrounding the luminescent active core allows for dispersal of the nanoparticles in water and biological compatible fluids, we investigated the penetration depth that can be realized in biological tissues with their emissions in the NIR range, achieving a value of 0.8 mm when excited at powers of 50 mW. After their internalization in HeLa cells, a low toxicity was observed and the potentiality for biolabelling in the visible range was demonstrated, which facilitated the identification of the location of the nanoparticles inside the cells, and the temperature determination.
Chlortetracycline-Functionalized Silver Nanoparticles as a Colorimetric Probe for Aminoglycosides: Ultrasensitive Determination of Kanamycin and Streptomycin
Authors: Saratale Ganesh Dattatraya , Saratale Rijuta Ganesh , Ghodake Gajanan , Shinde Surendra , Kim Dae-Young , Alyousef Abdullah A. , Arshad Mohammed , Syed Asad , Pant Deepak , Shin Han-Seung
Published: May 2020

Aminoglycosides (AMGs) have been extensively used to treat infectious diseases caused by Gram-negative bacteria in livestock and humans. A selective and sensitive colorimetric probe for the determination of streptomycin and kanamycin was proposed based on chlortetracycline-coated silver nanoparticles (AgNPs–CTC) as the sensing element. Almost all of the tested aminoglycoside antibiotics can rapidly induce the aggregation of AgNPs, along with a color change from yellow to orange/red. The selective detection of aminoglycoside antibiotics, including tobramycin, streptomycin, amikacin, gentamicin, neomycin, and kanamycin, with other types of antibiotics, can be achieved by ultraviolet (UV) spectroscopy. This developed colorimetric assay has ability to detect various AMGs using in-depth surface plasmon resonance (SPR) studies. With this determination of streptomycin and kanamycin was achieved at the picomolar level (pM) by using a UV–visible spectrophotometer. Under aqueous conditions, the linear range of the colorimetric sensor for streptomycin and kanamycin was 1000–1,1000 and 120–480 pM, respectively. The corresponding limit of detection was 2000 pM and 120 pM, respectively. Thus, the validated dual colorimetric and ratiometric method can find various analytical applications for the ultrasensitive and rapid detection of AMG antibiotics in water samples.
The Effect of Natural Antioxidants in the Development of Metabolic Syndrome: Focus on Bergamot Polyphenolic Fraction
Authors: Carresi Cristina , Gliozzi Micaela , Musolino Vincenzo , Scicchitano Miriam , Scarano Federica , Bosco Francesca , Nucera Saverio , Maiuolo Jessica , Macrì Roberta , Ruga Stefano , Oppedisano Francesca , Zito Maria Caterina , Guarnieri Lorenza , Mollace Rocco , Tavernese Annamaria , Palma Ernesto , Bombardelli Ezio , Fini Massimo , Mollace Vincenzo
Published: May 2020

Metabolic syndrome (MetS) represents a set of clinical findings that include visceral adiposity, insulin-resistance, high triglycerides (TG), low high-density lipoprotein cholesterol (HDL-C) levels and hypertension, which is linked to an increased risk of developing type 2 diabetes mellitus (T2DM) and atherosclerotic cardiovascular disease (ASCVD). The pathogenesis of MetS involves both genetic and acquired factors triggering oxidative stress, cellular dysfunction and systemic inflammation process mainly responsible for the pathophysiological mechanism. In recent years, MetS has gained importance due to the exponential increase in obesity worldwide. However, at present, it remains underdiagnosed and undertreated. The present review will summarize the pathogenesis of MetS and the existing pharmacological therapies currently used and focus attention on the beneficial effects of natural compounds to reduce the risk and progression of MetS. In this regard, emerging evidence suggests a potential protective role of bergamot extracts, in particular bergamot flavonoids, in the management of different features of MetS, due to their pleiotropic anti-oxidative, anti-inflammatory and lipid-lowering effects.
Dietary Approaches to Stop Hypertension (DASH) Score and Its Association with Sleep Quality in a National Survey of Middle-Aged and Older Men and Women
Authors: Liang Hailun , Beydoun Hind A. , Hossain Sharmin , Maldonado Ana , Zonderman Alan B. , Fanelli-Kuczmarski Marie T. , Beydoun May A.
Published: May 2020

Complex processes appear to link sleep duration and quality with dietary patterns. Numerous studies show healthful benefits of the Dietary Approaches to Stop Hypertension (DASH) diet, but few have examined its association with sleep duration or quality. The current study tested cross-sectional associations of DASH diet quality score with sleep quality among adults. Analyses of participants were from the 2005–2008 wave of the National Health and Nutrition Examination Surveys (n = 3941 adults ≥30 years of age, complete data). We performed sex- and age group-stratified multiple OLS regression analyses with DASH total score and components as main predictors and sleep quality as main outcomes, adjusting sequentially for socio-demographic, behavioral and health-related factors. Sex and age differences in associations of DASH with sleep quality, adjusting for covariates, were also examined by incorporating two-way interaction terms between sex/age and the DASH score in each unstratified model. We found that the DASH diet score was inversely related to poor sleep-related daytime dysfunction adjusted by age, sex, demographic and socio-economic factors. Some sex-specific associations were detected between DASH diet component scores and sleep quality. Notably, the potassium DASH component was inversely associated with Factor 1 (“sleepiness and sleep disturbance”) among women. The fiber DASH component was associated with better sleep quality and inversely related to Factor 2 (“sleep-related daytime dysfunction”) in younger subjects. This study indicates health benefits of the DASH diet for sleep duration and quality. Future longitudinal studies and randomized placebo-controlled trials are required to ascertain protective effects.
Thickness and Color Structure of Center Vortices in Gluonic SU(2) QCD
Authors: Golubich Rudolf , Faber Manfried
Published: May 2020

In search for an effective model of quark confinement we study the vacuum of SU(2) quantum chromodynamic with lattice simulations using Wilson action. Assuming that center vortices are the relevant excitations causing confinement, we analyzed their physical size and their color structure. We present confirmations for a vanishing thickness of center vortices in the continuum limit and hints at their color structure. This is the first time that algorithms for the detection of thick center vortices based on non-trivial center regions has been used.
A Conserved Tryptophan in the Ebola Virus Matrix Protein C-Terminal Domain Is Required for Efficient Virus-Like Particle Formation
Authors: Johnson Kristen , Pokhrel Rudramani , Budicini Melissa , Gerstman Bernard , Chapagain Prem , Stahelin Robert
Published: May 2020

The Ebola virus (EBOV) harbors seven genes, one of which is the matrix protein eVP40, a peripheral protein that is sufficient to induce the formation of virus-like particles from the host cell plasma membrane. eVP40 can form different structures to fulfil different functions during the viral life cycle, although the structural dynamics of eVP40 that warrant dimer, hexamer, and octamer formation are still poorly understood. eVP40 has two conserved Trp residues at positions 95 and 191. The role of Trp95 has been characterized in depth as it serves as an important residue in eVP40 oligomer formation. To gain insight into the functional role of Trp191 in eVP40, we prepared mutations of Trp191 (W191A or W191F) to determine the effects of mutation on eVP40 plasma membrane localization and budding as well as eVP40 oligomerization. These in vitro and cellular experiments were complemented by molecular dynamics simulations of the wild-type (WT) eVP40 structure versus that of W191A. Taken together, Trp is shown to be a critical amino acid at position 191 as mutation to Ala reduces the ability of VP40 to localize to the plasma membrane inner leaflet and form new virus-like particles. Further, mutation of Trp191 to Ala or Phe shifted the in vitro equilibrium to the octamer form by destabilizing Trp191 interactions with nearby residues. This study has shed new light on the importance of interdomain interactions in stability of the eVP40 structure and the critical nature of timing of eVP40 oligomerization for plasma membrane localization and viral budding.
Genetic Diversity, Population Structure and Marker-Trait Association for 100-Seed Weight in International Safflower Panel Using SilicoDArT Marker Information
Authors: Ali Fawad , Nadeem Muhammad Azhar , Barut Muzaffer , Habyarimana Ephrem , Chaudhary Hassan Javed , Khalil Iftikhar Hussain , Alsaleh Ahmad , Hatipoğlu Rüştü , Karaköy Tolga , Kurt Cemal , Aasim Muhammad , Sameeullah Muhammad , Ludidi Ndiko , Yang Seung Hwan , Chung Gyuhwa , Baloch Faheem Shehzad
Published: May 2020

Safflower is an important oilseed crop mainly grown in the arid and semi-arid regions of the world. The aim of this study was to explore phenotypic and genetic diversity, population structure, and marker-trait association for 100-seed weight in 94 safflower accessions originating from 26 countries using silicoDArT markers. Analysis of variance revealed statistically significant genotypic effects (p < 0.01), while Turkey samples resulted in higher 100-seed weight compared to Pakistan samples. A Constellation plot divided the studied germplasm into two populations on the basis of their 100-seed weight. Various mean genetic diversity parameters including observed number of alleles (1.99), effective number of alleles (1.54), Shannon’s information index (0.48), expected heterozygosity (0.32), and unbiased expected heterozygosity (0.32) for the entire population exhibited sufficient genetic diversity using 12232 silicoDArT markers. Analysis of molecular variance (AMOVA) revealed that most of the variations (91%) in world safflower panel are due to differences within country groups. A model-based structure grouped the 94 safflower accessions into populations A, B, C and an admixture population upon membership coefficient. Neighbor joining analysis grouped the safflower accessions into two populations (A and B). Principal coordinate analysis (PCoA) also clustered the safflower accessions on the basis of geographical origin. Three accessions; Egypt-5, Egypt-2, and India-2 revealed the highest genetic distance and hence might be recommended as candidate parental lines for safflower breeding programs. The mixed linear model i.e., the Q + K model, demonstrated that two DArTseq markers (DArT-45483051 and DArT-15672391) had significant association (p < 0.01) for 100-seed weight. We envisage that identified DArTseq markers associated with 100-seed weight will be helpful to develop high-yielding cultivars of safflower through marker-assisted breeding in the near future.
Chitosan-Based Drug Delivery System: Applications in Fish Biotechnology
Authors: Wu Yuanbing , Rashidpour Ania , Almajano María Pilar , Metón Isidoro
Published: May 2020

Chitosan is increasingly used for safe nucleic acid delivery in gene therapy studies, due to well-known properties such as bioadhesion, low toxicity, biodegradability and biocompatibility. Furthermore, chitosan derivatization can be easily performed to improve the solubility and stability of chitosan–nucleic acid polyplexes, and enhance efficient target cell drug delivery, cell uptake, intracellular endosomal escape, unpacking and nuclear import of expression plasmids. As in other fields, chitosan is a promising drug delivery vector with great potential for the fish farming industry. This review highlights state-of-the-art assays using chitosan-based methodologies for delivering nucleic acids into cells, and focuses attention on recent advances in chitosan-mediated gene delivery for fish biotechnology applications. The efficiency of chitosan for gene therapy studies in fish biotechnology is discussed in fields such as fish vaccination against bacterial and viral infection, control of gonadal development and gene overexpression and silencing for overcoming metabolic limitations, such as dependence on protein-rich diets and the low glucose tolerance of farmed fish. Finally, challenges and perspectives on the future developments of chitosan-based gene delivery in fish are also discussed.
Effect of Different Phosphate Glass Compositions on the Process-Induced Macromolecular Dynamics of Polyamide 66
Authors: Belyamani Imane , K. Hassan Mohammad
Published: May 2020

The present study provides a fundamental understanding of the mechanism of action of special new phosphate glass (P-glass) systems, having different glass transition temperatures (Tg), in polyamide 66 (PA66). Dynamic mechanical analysis (DMA) revealed that the Tg of PA66/low Tg P-glass (ILT-1) was significantly shifted to a lower Tg (65 °C), and another transition appeared at high temperature (166 °C). This was supported by a drop in the melting point and the crystallinity of the PA66/ILT-1 hybrid material as detected by differential scanning calorimetry (DSC). The dielectric spectroscopic investigation on the networks’ molecular level structural variations (Tg and sub-Tg relaxations) agreed very well with the DMA and DSC findings. Contrary to intermediate Tg(IIT-3) and high Tg P-glass (IHT-1) based materials, the PA66/ILT-1 hybrid material showed an evidence of splitting the PA66 Tg relaxations into two peaks, thus confirming a strong interaction between PA66 and ILT-1 (low Tg P-glass). Nevertheless, the three different P-glass compositions did not show any effect on the PA66 sub-Tg relaxations (related to the –NH2 and –OH chain end groups’ motion).
Hydrophobically Functionalized Poly(Acrylic Acid) Comprising the Ester-Type Labile Spacer: Synthesis and Self-Organization in Water
Authors: Lamch Łukasz , Ronka Sylwia , Moszyńska Izabela , Warszyński Piotr , Wilk Kazimiera A.
Published: May 2020

One of the most important properties of hydrophobically functionalized polyelectrolytes (HF-PEs) and their assemblies is their ability to encapsulate hydrophobic/amphiphilic agents and provide release on demand of the entrapped payload. The aim of the present work was to synthesize and study self-organization behavior in aqueous solution of hydrophobically functionalized poly(acrylic acid) (PAA) comprising the ester-type pH labile moiety with various degrees of hydrophobization and side-chain lengths in the absence and presence of appropriate mono- and polyvalent electrolytes (i.e., NaCl or CaCl2). The synthesis and purification of hydrophobically functionalized PAA were performed under mild conditions in order to avoid chemical degradation of the polymers. The modified polyelectrolytes self-assembly in aqueous systems was monitored using diffusion-ordered nuclear magnetic resonance (DOSY NMR). The performed studies, supported by the all-atoms molecular dynamics simulations, revealed a strong dependence of polyelectrolyte self-assembled state on concentration—specific concentration regions with the coexistence of both smaller and larger aggregates were observed (values of hydrodynamic diameter DH around one nanometer and between two to six nanometers, respectively). Our investigations enabled us to gain crucial information about the self-assembly of the hydrophobically functionalized poly(acrylic acid) and opened the possibility of understanding and predicting its performance under various conditions.
A Facile Fabrication of Biodegradable and Biocompatible Cross-Linked Gelatin as Screen Printing Substrates
Authors: Kang Pei-Leun , Lin Yu-Hsin , Settu Kalpana , Yen Ching-Shu , Yeh Chin-Yi , Liu Jen-Tsai , Chen Ching-Jung , Chang Shwu-Jen
Published: May 2020

This study focuses on preparation and valuation of the biodegradable, native, and modified gelatin film as screen-printing substrates. Modified gelatin film was prepared by crosslinking with various crosslinking agents and the electrode array was designed by screen-printing. It was observed that the swelling ratio of C-2, crosslinked with glutaraldehyde and EDC/NHS (1-ethyl-3-(3-dimethylaminopropyl) carbodiimide/N-hydroxysuccinimide) was found to be lower (3.98%) than that of C-1 (crosslinked with only glutaraldehyde) (8.77%) and C-0 (without crosslinking) (28.15%). The obtained results indicate that the swelling ratios of both C-1 and C-2 were found to be lower than that of C-0 (control one without crosslinking). The Young’s modulus for C-1 and C-2 was found to be 8.55 ± 0.57 and 23.72 ± 2.04 kPa, respectively. Hence, it was conveyed that the mechanical strength of C-2 was found to be two times higher than that of C-l, suggesting that the mechanical strength was enhanced upon dual crosslinking in this study also. The adhesion study indicates that silver ink adhesion on the gelation surface is better than that of carbon ink. In addition, the electrical response of C-2 with a screen-printed electrode (SPE) was found to be the same as the commercial polycarbonate (PC) substrate. The result of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) assay suggested that the silver SPE on C-2 was non-cytotoxic toward L929 fibroblast cells proliferation. The results indicated that C-2 gelatin is a promising material to act as a screen-printing substrate with excellent biodegradable and biocompatible properties.
MOF-Based Adsorbents for Atmospheric Emission Control: A Review
Authors: Gargiulo Nicola , Peluso Antonio , Caputo Domenico
Published: May 2020

This review focuses on the use of metal–organic frameworks (MOFs) for adsorbing gas species that are known to weaken the thermal self-regulation capacities of Earth’s atmosphere. A large section is dedicated to the adsorption of carbon dioxide, while another section is dedicated to the adsorption of other different gas typologies, whose emissions, for various reasons, represent a “wound” for Earth’s atmosphere. High emphasis is given to MOFs that have moved enough ahead in their development process to be currently considered as potentially usable in “real-world” (i.e., out-of-lab) adsorption processes. As a result, there is strong evidence of a wide gap between laboratory results and the industrial implementation of MOF-based adsorbents. Indeed, when a MOF that performs well in a specific process is commercially available in large quantities, economic observations still make designers tend toward more traditional adsorbents. Moreover, there are cases in which a specific MOF remarkably outperforms the currently employed adsorbents, but it is not industrially produced, thus strongly limiting its possibilities in large-scale use. To overcome such limitations, it is hoped that the chemical industry will be able to provide more and more mass-produced MOFs at increasingly competitive costs in the future.
Bankruptcy Prediction and Stress Quantification Using Support Vector Machine: Evidence from Indian Banks
Authors: Shrivastav Santosh Kumar , Ramudu P. Janaki
Published: May 2020

Banks play a vital role in strengthening the financial system of a country; hence, their survival is decisive for the stability of national economies. Therefore, analyzing the survival probability of the banks is an essential and continuing research activity. However, the current literature available indicates that research is currently limited on banks’ stress quantification in countries like India where there have been fewer failed banks. The literature also indicates a lack of scientific and quantitative approaches that can be used to predict bank survival and failure probabilities. Against this backdrop, the present study attempts to establish a bankruptcy prediction model using a machine learning approach and to compute and compare the financial stress that the banks face. The study uses the data of failed and surviving private and public sector banks in India for the period January 2000 through December 2017. The explanatory features of bank failure are chosen by using a two-step feature selection technique. First, a relief algorithm is used for primary screening of useful features, and in the second step, important features are fed into the support vector machine to create a forecasting model. The threshold values of the features for the decision boundary which separates failed banks from survival banks are calculated using the decision boundary of the support vector machine with a linear kernel. The results reveal, inter alia, that support vector machine with linear kernel shows 92.86% forecasting accuracy, while a support vector machine with radial basis function kernel shows 71.43% accuracy. The study helps to carry out comparative analyses of financial stress of the banks and has significant implications for their decisions of various stakeholders such as shareholders, management of the banks, analysts, and policymakers.
A Spatial-Temporal Attention-Based Method and a New Dataset for Remote Sensing Image Change Detection
Authors: Chen Hao , Shi Zhenwei
Published: May 2020

Remote sensing image change detection (CD) is done to identify desired significant changes between bitemporal images. Given two co-registered images taken at different times, the illumination variations and misregistration errors overwhelm the real object changes. Exploring the relationships among different spatial–temporal pixels may improve the performances of CD methods. In our work, we propose a novel Siamese-based spatial–temporal attention neural network. In contrast to previous methods that separately encode the bitemporal images without referring to any useful spatial–temporal dependency, we design a CD self-attention mechanism to model the spatial–temporal relationships. We integrate a new CD self-attention module in the procedure of feature extraction. Our self-attention module calculates the attention weights between any two pixels at different times and positions and uses them to generate more discriminative features. Considering that the object may have different scales, we partition the image into multi-scale subregions and introduce the self-attention in each subregion. In this way, we could capture spatial–temporal dependencies at various scales, thereby generating better representations to accommodate objects of various sizes. We also introduce a CD dataset LEVIR-CD, which is two orders of magnitude larger than other public datasets of this field. LEVIR-CD consists of a large set of bitemporal Google Earth images, with 637 image pairs (1024 × 1024) and over 31 k independently labeled change instances. Our proposed attention module improves the F1-score of our baseline model from 83.9 to 87.3 with acceptable computational overhead. Experimental results on a public remote sensing image CD dataset show our method outperforms several other state-of-the-art methods.
Object Detection and Image Segmentation with Deep Learning on Earth Observation Data: A Review-Part I: Evolution and Recent Trends
Authors: Hoeser Thorsten , Kuenzer Claudia
Published: May 2020

Deep learning (DL) has great influence on large parts of science and increasingly established itself as an adaptive method for new challenges in the field of Earth observation (EO). Nevertheless, the entry barriers for EO researchers are high due to the dense and rapidly developing field mainly driven by advances in computer vision (CV). To lower the barriers for researchers in EO, this review gives an overview of the evolution of DL with a focus on image segmentation and object detection in convolutional neural networks (CNN). The survey starts in 2012, when a CNN set new standards in image recognition, and lasts until late 2019. Thereby, we highlight the connections between the most important CNN architectures and cornerstones coming from CV in order to alleviate the evaluation of modern DL models. Furthermore, we briefly outline the evolution of the most popular DL frameworks and provide a summary of datasets in EO. By discussing well performing DL architectures on these datasets as well as reflecting on advances made in CV and their impact on future research in EO, we narrow the gap between the reviewed, theoretical concepts from CV and practical application in EO.
Suitability of Automatic Photogrammetric Reconstruction Configurations for Small Archaeological Remains
Authors: Rodríguez-Martín Manuel , Rodríguez-Gonzálvez Pablo
Published: May 2020

Three-dimensional (3D) reconstruction is a useful technique for the documentation, characterization, and evaluation of small archeological objects. In this research, a comparison among different photogrammetric setups that use different lenses (macro and standard zoom) and dense point cloud generation calibration processes for real specific objects of archaeological interest with different textures, geometries, and materials is raised using an automated data collection. The data acquisition protocol is carried out from a platform with control points referenced with a metrology absolute arm to accurately define a common spatial reference system. The photogrammetric reconstruction is performed considering a camera pre-calibration as well as a self-calibration. The latter is common for most data acquisition situations in archaeology. The results for the different lenses and calibration processes are compared based on a robust statistical analysis, which entails the estimation of both standard Gaussian and non-parametric estimators, to assess the accuracy potential of different configurations. As a result, 95% of the reconstructed points show geometric discrepancies lower than 0.85 mm for the most unfavorable case and less than 0.35 mm for the other cases.
A Safe Charging Algorithm Based on Multiple Mobile Chargers
Authors: Wang Wei , Jing Haoran , Liao Junhua , Yin Feng , Yuan Ping , Chen Liangyin
Published: May 2020

A safe charging algorithm in wireless rechargeable sensor network ensures the charging efficiency and the electromagnetic radiation below the threshold. Compared with the current charging algorithms, the safe charging algorithm is more complicated due to the radiation constraint and the mobility of the chargers. A safe charging algorithm based on multiple mobile chargers is proposed in this paper to charge the sensor nodes with mobile chargers, in order to ensure the premise of radiation safety, multiple mobile chargers can effectively complete the network charging task. Firstly, this algorithm narrows the possible location of the sensor nodes by utilizing the charging time and antenna waveform. Secondly, the performance of non-partition charging algorithm which algorithm allow chargers to charge different sensors sets in a different cycle is evaluated against the one of partition charging which does not allow for charging different ones. The moving distance of the charger node will be reduced by 18%. It not only improves the safety level which is inversely proportional to electromagnetic radiation but also expands the application scope of the wireless sensor nodes.