bluuebunny/crossref_metadata_2025 huggingface dataset:
Antibody Testing in Estimating Past Exposure to Chlamydia trachomatis in The Netherlands Chlamydia Cohort Study
Authors: Hoenderboom Bernice M. , van Willige Michelle E. , Land Jolande A. , Pleijster Jolein , Götz Hannelore M. , van Bergen Jan E. A. M. , Dukers-Muijrers Nicole H. T. M. , Hoebe Christian J. P. A. , van Benthem Birgit H. B. , Morré Servaas A.
Published: October 2019

The asymptomatic course of Chlamydia trachomatis (CT) infections can result in underestimated CT lifetime prevalence. Antibody testing might improve this estimate. We assessed CT antibody positivity and predictive factors thereof in the Netherlands Chlamydia Cohort Study. Women who had ≥1 CT Nucleic Acid Amplification Test (NAAT) in the study (2008–2011) and who provided self-reported information on NAATs were tested for CT major outer membrane protein specific IgG in serum (2016). CT antibody positivity was assessed and predictive factors were identified using multivariable logistic regressions, separately for CT-positive women (≥1 positive NAAT or ≥1 self-reported positive CT test) and CT-negative women (negative by study NAAT and self-report). Of the 3,613 women studied, 833 (23.1%) were CT -positive. Among the CT-negative women, 208 (7.5%, 95% CI 6.5–8.5) tested positive for CT antibodies. This increased CT lifetime prevalence with 5.8% (95% CI 5.0–6.5). Among women with a CT-positive history, 338 (40.6%, 95% CI 38.5–44.1) tested positive. Predictive factors for antibody positivity related to lower social economic status, sexual risk behavior, multiple infections, higher body mass index, and non-smoking. CT antibody testing significantly increased the lifetime prevalence. Combining NAAT outcomes, self-reported positive tests, and antibody testing reduced misclassification in CT prevalence estimates.
Dual RNA-Seq Unveils the Role of the Pseudomonas plecoglossicida fliA Gene in Pathogen-Host Interaction with Larimichthys crocea
Authors: Sun Yujia , Nie Pin , Zhao Lingmin , Huang Lixing , Qin Yingxue , Xu Xiaojin , Zhang Jiaonan , Yan Qingpi
Published: October 2019

In the present study, Larimichthys crocea and Pseudomonas plecoglossicida were selected as a host-pathogen interaction model for teleosts and prokaryotic pathogens. Five shRNAs were designed and synthesized to silence the fliA gene, all of which resulted in pronounced reductions in fliA mRNA; the mutant strain with the best silencing efficiency of 92.16% was chosen for subsequent analysis. A significant decrease in motility, intracellular survival and escape was observed for the fliA-RNAi strain of P. plecoglossicida, whereby silencing of the fliA gene led to a 30% decrease in mortality and a four-day delay in the onset of infection in L. crocea. Moreover, silencing of P. plecoglossicida fliA resulted in a significant change in both the pathogen and host transcriptome in the spleens of infected L. crocea. Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis of pathogen transcriptome data showed that silencing fliA resulted in downregulation of 18 flagellum-related genes; KEGG analysis of host transcriptome data revealed that infection with the fliA-RNAi strain caused upregulation of 47 and downregulation of 106 immune-related genes. These pathogen-host interactions might facilitate clearance of P. plecoglossicida by L. crocea, with a significant decrease in fliA-RNAi P. plecoglossicida strain virulence in L. crocea.
Synthesis and Density Functional Theory Studies of Azirinyl and Oxiranyl Functionalized Isoindigo and (3Z,3’Z)-3,3’-(ethane-1,2-diylidene)bis(indolin-2-one) Derivatives
Authors: Khalili Gholamhossein , McCosker Patrick , Clark Timothy , Keller Paul
Published: October 2019

The design and synthesis of functionalized isoindigo compounds by reaction of isoindigo with (S)-glycidyl tosylate, epibromohydrin, 2-(bromomethyl)-1-(arylsulfonyl)aziridine, and 2-(bromomethyl)-1-(alkylsulfonyl)aziridine in the presence of MeONa proceed under mild conditions in moderate yields. (3Z,3’Z)-3,3’-(Ethane-1,2-diylidene)bis(1-(oxiran-2-ylmethyl)indolin-2-one), with an extended central olefin π-conjugated moiety was also reacted with methyl-oxiranes to give the corresponding N,N’-disubstituted derivative. Calculations with DFT and TD-DFT of hypothetical isoindigo-thiophene DA molecules with various electron withdrawing substituents, including aziridine, oxirane, nitrile, carbonyl, and sulfonate, indicated that the proximity and strength of the functional group have a significant effect on the HOMO, LUMO, vertical excitation energy, and oscillator strength of the π–π* transitions.
Stapled Peptides—A Useful Improvement for Peptide-Based Drugs
Authors: Moiola Mattia , Memeo Misal G. , Quadrelli Paolo
Published: October 2019

Peptide-based drugs, despite being relegated as niche pharmaceuticals for years, are now capturing more and more attention from the scientific community. The main problem for these kinds of pharmacological compounds was the low degree of cellular uptake, which relegates the application of peptide-drugs to extracellular targets. In recent years, many new techniques have been developed in order to bypass the intrinsic problem of this kind of pharmaceuticals. One of these features is the use of stapled peptides. Stapled peptides consist of peptide chains that bring an external brace that force the peptide structure into an α -helical one. The cross-link is obtained by the linkage of the side chains of opportune-modified amino acids posed at the right distance inside the peptide chain. In this account, we report the main stapling methodologies currently employed or under development and the synthetic pathways involved in the amino acid modifications. Moreover, we report the results of two comparative studies upon different kinds of stapled-peptides, evaluating the properties given from each typology of staple to the target peptide and discussing the best choices for the use of this feature in peptide-drug synthesis.
Development of a Telescoped Flow Process for the Safe and Effective Generation of Propargylic Amines
Authors: Donnelly Kian , Zhang Huan , Baumann Marcus
Published: October 2019

Propargylic amines are important multifunctional building blocks that are frequently exploited in the synthesis of privileged heterocyclic entities. Herein we report on a novel flow process that achieves the safe and effective on-demand synthesis of propargylic amines in a telescoped manner. This process minimizes exposure to hazardous azide intermediates and renders a streamlined route into these building blocks. The value of this approach is demonstrated by the rapid generation of a small selection of drug-like thiazolines that result from a high-yielding reaction cascade between propargylic amines with different aryl isothiocyanates.
Penfluridol as a Candidate of Drug Repurposing for Anticancer Agent
Authors: Tuan Nguyen Minh , Lee Chang Hoon
Published: October 2019

Penfluridol has robust antipsychotic efficacy and is a first-generation diphenylbutylpiperidine. Its effects last for several days after a single oral dose and it can be administered once a week to provide better compliance and symptom control. Recently; strong antitumour effects for penfluridol were discovered in various cancer cell lines; such as breast; pancreatic; glioblastoma; and lung cancer cells via several distinct mechanisms. Therefore; penfluridol has drawn much attention as a potentially novel anti-tumour agent. In addition; the anti-cancer effects of penfluridol have been demonstrated in vivo: results showed slight changes in the volume and weight of organs at doses tested in animals. This paper outlines the potential for penfluridol to be developed as a next-generation anticancer drug.
Design, Synthesis and Investigation of the Potential Anti-Inflammatory Activity of 7-O-Amide Hesperetin Derivatives
Authors: Zhang Yilong , Zheng Yan , Shi Wen , Guo Yahui , Xu Tao , Li Zeng , Huang Cheng , Li Jun
Published: October 2019

To develop new anti-inflammatory agents, a series of 7-O-amide hesperetin derivatives was designed, synthesized and evaluated for anti-inflammatory activity using RAW264.7 cells. All compounds showed inhibitory effect on LPS-induced NO production. Among them, 7-O-(2-(Propylamino)-2-oxoethyl)hesperetin (4d) and 7-O-(2-(Cyclopentylamino)-2-oxoethyl)hesperetin (4k) with hydrophobic side chains exhibited the most potent NO inhibitory activity (IC50 = 19.32 and 16.63 μM, respectively), showing stronger inhibitory effect on the production of pro- inflammatory cytokines tumor necrosis factor (TNF-α), interleukin-6 (IL-6) and interleukin-1β (IL-1β) than indomethacin and celecoxib at 10 μM. The structure-activity relationships (SARs) suggested that the 7-O-amide unit was buried in a medium-sized hydrophobic cavity of the bound receptor. Furthermore, compound 4d could also significantly suppress the expression of inducible nitric oxide synthase enzymes (iNOS) and cyclooxygenase-2 (COX-2), through the nuclear factor-kappa B (NF-κB) signaling pathway.
Potential Application of Graphene/Antimonene Herterostructure as an Anode for Li-Ion Batteries: A First-Principles Study
Authors: Wu Ping , Li Peng , Huang Min
Published: October 2019

To suppress the volume expansion and thus improve the performance of antimonene as a promising anode for lithium-ion batteries, we have systematically studied the stability, structural and electronic properties of the antimonene capped with graphene (G/Sb heterostructure) upon the intercalation and diffusion of Li atoms by first-principles calculations based on van der Waals (vdW) corrected density functional theory. G/Sb exhibits higher Young’s modulus (armchair: 145.20, zigzag: 144.36 N m−1) and improved electrical conductivity (bandgap of 0.03 eV) compared with those of antimonene. Li favors incorporating into the interlayer region of G/Sb rather than the outside surfaces of graphene and antimonene of G/Sb heterostructure, which is caused by the synergistic effect. The in-plane lattice constants of G/Sb heterostructure expand only around 4.5%, and the interlayer distance of G/Sb increases slightly (0.22 Å) at the case of fully lithiation, which indicates that the capping of graphene on antimonene can effectively suppress the volumetric expansion during the charging process. Additionally, the hybrid G/Sb heterostructure has little influence on the migration behaviors of Li on the outside of graphene and Sb surfaces compared with their free-standing monolayers. However, the migration energy barrier for Li diffusion in the interlayer region (about 0.59 eV) is significantly affected by the geometry structure, which can be reduced to 0.34 eV simply by increasing the interlayer distance. The higher theoretical specific capacity (369.03 mAh g−1 vs 208 mAh g−1 for antimonene monolayer) and suitable open circuit voltage (from 0.11 V to 0.89 V) of G/Sb heterostructure are beneficial for anode materials of lithium-ion batteries. The above results reveal that G/Sb heterostructure may be an ideal candidate of anode for high recycling–rate and portable lithium-ion batteries.
Association Between Fatty Acids Profile and Cerebral Blood Flow: An Exploratory fNIRS Study on Children with and without ADHD
Authors: Grazioli Silvia , Crippa Alessandro , Mauri Maddalena , Piazza Caterina , Bacchetta Andrea , Salandi Antonio , Trabattoni Sara , Agostoni Carlo , Molteni Massimo , Nobile Maria
Published: October 2019

Polyunsaturated fatty acids (PUFAs) biostatus has been proposed as possible attention deficit hyperactivity disorder (ADHD) diagnosis biomarker. The present exploratory study aimed to investigate the association between PUFAs biostatus and cerebral cortex metabolism measured by functional Near Infrared Spectroscopy (fNIRS) in a sample of children with and without ADHD. 24 children with ADHD and 22 typically developing (TD) peers, aged 8–14, were recruited. Linoleic, arachidonic, docosahexaenoic and eicosapentaenoic acids levels were evaluated in whole blood. All children underwent fNIRS while performing an n-back working memory task. Between groups comparisons revealed lower levels of arachidonic acid in children with ADHD and stronger NIRS signal in TD participants, especially when completing more difficult tasks. Correlations conducted between fNIRS activation and PUFA biostatus revealed several associations between hemodynamic changes in the frontoparietal regions and fatty acids profile across participants. This result was also confirmed by the multiple hierarchical regression analyses that remarked an inverse effect of eicosapentaenoic acid levels on oxyhemoglobin values in right frontoparietal region. Such preliminary findings, if confirmed, would suggest that PUFAs could play a role in atypical neurodevelopment.
The Effectiveness of Different Doses of Iron Supplementation and the Prenatal Determinants of Maternal Iron Status in Pregnant Spanish Women: ECLIPSES Study
Authors: Iglesias Vázquez Lucía , Arija Victoria , Aranda Núria , Aparicio Estefanía , Serrat Núria , Fargas Francesc , Ruiz Francisca , Pallejà Meritxell , Coronel Pilar , Gimeno Mercedes , Basora Josep
Published: October 2019

Iron deficiency (ID), anemia, iron deficiency anemia (IDA) and excess iron (hemoconcentration) harm maternal–fetal health. We evaluated the effectiveness of different doses of iron supplementation adjusted for the initial levels of hemoglobin (Hb) on maternal iron status and described some associated prenatal determinants. The ECLIPSES study included 791 women, randomized into two groups: Stratum 1 (Hb = 110–130g/L, received 40 or 80mg iron daily) and Stratum 2 (Hb > 130g/L, received 20 or 40mg iron daily). Clinical, biochemical, and genetic information was collected during pregnancy, as were lifestyle and sociodemographic characteristics. In Stratum 1, using 80 mg/d instead of 40 mg/d protected against ID on week 36. Only women with ID on week 12 benefited from the protection against anemia and IDA by increasing Hb levels. In Stratum 2, using 20 mg/d instead of 40 mg/d reduced the risk of hemoconcentration in women with initial serum ferritin (SF) ≥ 15 μg/L, while 40 mg/d improved SF levels on week 36 in women with ID in early pregnancy. Mutations in the HFE gene increased the risk of hemoconcentration. Iron supplementation should be adjusted to early pregnancy levels of Hb and iron stores. Mutations of the HFE gene should be evaluated in women with high Hb levels in early pregnancy.
A Chalcone from Ashitaba (Angelica keiskei) Stimulates Myoblast Differentiation and Inhibits Dexamethasone-Induced Muscle Atrophy
Authors: Kweon Minson , Lee Hyejin , Park Cheol , Choi Yung Hyun , Ryu Jae-Ha
Published: October 2019

Ashitaba, Angelica keiskei Koidzumi (AK), as a traditional medicine in Korea, Japan, and China, has been known as an elixir of life having therapeutic potential. However, there is no scientific evidence to support that Ashitaba can enhance or maintain muscle strength. To find a new therapeutic agent from the medicinal plant, we evaluated the anti-myopathy effect of chalcones from ethanol extract of AK (EAK) in cellular and animal models of muscle atrophy. To examine anti-myopathy activity, EAK was treated into dexamethasone injected rats and muscle thickness and histopathological images were analyzed. Oral administration of EAK (250 or 500 mg/kg) alleviated muscle atrophic damages and down-regulated the mRNA levels of muscle-specific ubiquitin-E3 ligases. Among ten compounds isolated from EAK, 4-hydroxyderricin was the most effective principle in stimulating myogenesis of C2C12 myoblasts via activation of p38 mitogen-activated protein kinase (MAPK). In three cellular muscle atrophy models with C2C12 myoblasts damaged by dexamethasone or cancer cell-conditioned medium, 4-hydroxyderricin protected the myosin heavy chain (MHC) degradation through suppressing expressions of MAFbx, MuRF-1 and myostatin. These results suggest that the ethanol extract and its active principle, 4-hydroxyderricin from AK, can overcome the muscle atrophy through double mechanisms of decreasing muscle protein degradation and activating myoblast differentiation.
Anti-VEGF Signalling Mechanism in HUVECs by Melatonin, Serotonin, Hydroxytyrosol and Other Bioactive Compounds
Authors: Cerezo Ana B. , Labrador María , Gutiérrez Andrés , Hornedo-Ortega Ruth , Troncoso Ana M. , Garcia-Parrilla M. Carmen
Published: October 2019

Angiogenesis drives evolution and destabilisation of atherosclerotic plaques and the growth and expansion of tumour cells. Vascular endothelial growth factor (VEGF) is the main endogenous pro-angiogenic factor in humans. The aim was to provide insight into the anti-VEGF activity of bioactive compounds derived from aromatic amino acids (serotonin, melatonin, 3-indoleacetic acid, 5-hydroxytryptophol and hydroxytyrosol). Experiments involved endothelial cell migration (wound-healing assay), the molecular mechanisms (ELISA assay) and the downstream effects (phospholipase C gamma 1 (PLCγ1), protein kinase B (Akt) and endothelial nitric oxide synthase (eNOS) by Western blot) on human umbilical vein endothelial cells (HUVECs). The data suggest for the first time that hydroxytyrosol interacts with surface components of the endothelial cell membrane (, preventing VEGF from activating its receptor. Serotonin and 5-hydroxytryptophol significantly inhibited HUVEC migration (98% and 50%, respectively) following the same mechanism. Conversely to other bioactive compounds, the anti-angiogenic effect of melatonin, serotonin, 3-indoleacetic acid and 5-hydroxytryptophol is not mediated via PLCγ1. However, hydroxytyrosol inhibits PLCγ1 phosphorylation. Additionally, melatonin and serotonin maintained eNOS phosphorylation and hydroxytyrosol significantly activated eNOS—all via Akt. These data provide new evidence supporting the interest in melatonin, serotonin, 3-indoleacetic acid, 5-hydroxytryptophol and hydroxytyrosol for their further exploitation as anti-VEGF ingredients in food.
The Regulation of Lipokines by Environmental Factors
Authors: Hernández-Saavedra Diego , Stanford Kristin I.
Published: October 2019

Adipose tissue is a highly metabolically-active tissue that senses and secretes hormonal and lipid mediators that facilitate adaptations to metabolic tissues. In recent years, the role of lipokines, which are lipid species predominantly secreted from adipose tissue that act as hormonal regulators in many metabolic tissues, has been an important area of research for obesity and diabetes. Previous studies have identified that these secreted lipids, including palmitoleate, 12,13-diHOME, and fatty acid–hydroxy–fatty acids (FAHFA) species, are important regulators of metabolism. Moreover, environmental factors that directly affect the secretion of lipokines such as diet, exercise, and exposure to cold temperatures constitute attractive therapeutic strategies, but the mechanisms that regulate lipokine stimulation have not been thoroughly reviewed. In this study, we will discuss the chemical characteristics of lipokines that position them as attractive targets for chronic disease treatment and prevention and the emerging roles of lipokines as regulators of inter-tissue communication. We will define the target tissues of lipokines, and explore the ability of lipokines to prevent or delay the onset and development of chronic diseases. Comprehensive understanding of the lipokine synthesis and lipokine-driven regulation of metabolic outcomes is instrumental for developing novel preventative and therapeutic strategies that harness adipose tissue-derived lipokines.
Anemia of Inflammation with An Emphasis on Chronic Kidney Disease
Authors: Begum Sajidah , Latunde-Dada Gladys O.
Published: October 2019

Iron is vital for a vast variety of cellular processes and its homeostasis is strictly controlled and regulated. Nevertheless, disorders of iron metabolism are diverse and can be caused by insufficiency, overload or iron mal-distribution in tissues. Iron deficiency (ID) progresses to iron-deficiency anemia (IDA) after iron stores are depleted. Inflammation is of diverse etiology in anemia of chronic disease (ACD). It results in serum hypoferremia and tissue hyperferritinemia, which are caused by elevated serum hepcidin levels, and this underlies the onset of functional iron-deficiency anemia. Inflammation is also inhibitory to erythropoietin function and may directly increase hepcidin level, which influences iron metabolism. Consequently, immune responses orchestrate iron metabolism, aggravate iron sequestration and, ultimately, impair the processes of erythropoiesis. Hence, functional iron-deficiency anemia is a risk factor for several ailments, disorders and diseases. Therefore, therapeutic strategies depend on the symptoms, severity, comorbidities and the associated risk factors of anemia. Oral iron supplements can be employed to treat ID and mild anemia particularly, when gastrointestinal intolerance is minimal. Intravenous (IV) iron is the option in moderate and severe anemic conditions, for patients with compromised intestinal integrity, or when oral iron is refractory. Erythropoietin (EPO) is used to treat functional iron deficiency, and blood transfusion is restricted to refractory patients or in life-threatening emergency situations. Despite these interventions, many patients remain anemic and do not respond to conventional treatment approaches. However, various novel therapies are being developed to treat persistent anemia in patients.
Endemic Goiter and Iodine Prophylaxis in Calabria, a Region of Southern Italy: Past and Present
Authors: Giordano Cinzia , Barone Ines , Marsico Stefania , Bruno Rosalinda , Bonofiglio Daniela , Catalano Stefania , Andò Sebastiano
Published: October 2019

Iodine, a micronutrient that plays a pivotal role in thyroid hormone synthesis, is essential for proper health at all life stages. Indeed, an insufficient iodine intake may determine a thyroid dysfunction also with goiter, or it may be associated to clinical features such as stunted growth and mental retardation, referred as iodine deficiency disorders (IDDs). Iodine deficiency still remains an important public health problem in many countries, including Italy. The effective strategy for the prevention and control of IDDs is universal salt iodization, which was implemented in Italy in 2005 as a nationwide program adopted after the approval of an Italian law. Despite an improvement in the iodine intake, many regions in Italy are still characterized by mild iodine deficiency. In this review, we provide an overview of the historical evolution of the iodine status in the Calabria region, located in the South of Italy, during the past three decades. In particular, we have retraced an itinerary from the first epidemiological surveys at the end of the 1980s to the establishment of the Regional Observatory of Endemic Goiter and Iodine Prophylaxis, which represents an efficient model for the surveillance of IDDs and monitoring the efficacy of iodine prophylaxis.
“Smart” Triiodide Compounds: Does Halogen Bonding Influence Antimicrobial Activities?
Authors: Edis Zehra , Haj Bloukh Samir , Abu Sara Hamed , Bhakhoa Hanusha , Rhyman Lydia , Ramasami Ponnadurai
Published: October 2019

Antimicrobial agents containing symmetrical triiodides complexes with halogen bonding may release free iodine molecules in a controlled manner. This happens due to interactions with the plasma membrane of microorganisms which lead to changes in the structure of the triiodide anion. To verify this hypothesis, the triiodide complex [Na(12-crown-4)2]I3 was prepared by an optimized one-pot synthesis and tested against 18 clinical isolates, 10 reference strains of pathogens and five antibiotics. The antimicrobial activities of this symmetrical triiodide complex were determined by zone of inhibition plate studies through disc- and agar-well-diffusion methods. The triiodide complex proved to be a broad spectrum microbicidal agent. The biological activities were related to the calculated partition coefficient (octanol/water). The microstructural analysis of SEM and EDS undermined the purity of the triiodide complex. The anionic structure consists of isolated, symmetrical triiodide anions [I-I-I]− with halogen bonding. Computational methods were used to calculate the energy required to release iodine from [I-I-I]− and [I-I···I]−. The halogen bonding in the triiodide ion reduces the antibacterial activities in comparison to the inhibitory actions of pure iodine but increases the long term stability of [Na(12-crown-4)2]I3.
Retrospective Study of Listeria monocytogenes Isolated in the Territory of Inner Eurasia from 1947 to 1999
Authors: Psareva Ekaterina K. , Egorova Irina Yu. , Liskova Elena A. , Razheva Irina V. , Gladkova Nadezda A. , Sokolova Elena V. , Potemkin Eugene A. , Zhurilov Pavel A. , Mikhaleva Tatyana V. , Blokhin Andrei A. , Chalenko Yaroslava M. , Kolbasov Denis V. , Ermolaeva Svetlana A.
Published: October 2019

Listeriosis is one of the most significant humans and animals foodborne infectious diseases. Here, we characterized 48 Listeria monocytogenes strains isolated in the territory of inner Eurasia during the second half of the 20th century. A total of 23 strains (52.3%) were susceptible to the nine antibiotics tested, 30.43%, 15.22%, and 8.7% were resistant penicillin G, ampicillin, and enrofloxacin, respectively. We applied the multilocus sequence typing (MLST) scheme to determine the phylogenetic positions of the strains. All but one strain belonged to the II phylogenetic lineage, and the majority of the strains belonged to one of the previously described clonal complexes (CCs). More than 60% of the strains belonged to the clonal complex CC7 that prevailed among all sources, including cattle (58%), small ruminants (64%), rodents (71%), and humans (50%). Further, CC7, CC101, and CC124 were found among human isolates. The MLST scheme was supplemented with virulence gene analysis. In total, eight inlA, six inlB, and six inlC allelic variants were found, and all but one strain carried one of the two inlE alleles. Most strains (62.5%) belonged to the same multivirulence locus sequence typing (MvLST) type, which includes CC7, inlA allele 4, inlB allele 14, inlC allele 6, and inlE allele 8.
Sugar-Lowering Drugs for Type 2 Diabetes Mellitus and Metabolic Syndrome—Review of Classical and New Compounds: Part-I
Authors: Vieira Raquel , Souto Selma B. , Sánchez-López Elena , López Machado Ana , Severino Patricia , Jose Sajan , Santini Antonello , Fortuna Ana , García Maria Luisa , Silva Amelia M. , Souto Eliana B.
Published: October 2019

Diabetes mellitus (DM) is a metabolic disorder characterized by chronic hyperglycemia together with disturbances in the metabolism of carbohydrates, proteins and fat, which in general results from an insulin availability and need imbalance. In a great number of patients, marketed anti-glycemic agents have shown poor effectiveness in maintaining a long-term glycemic control, thus being associated with severe adverse effects and leading to an emerging interest in natural compounds (e.g., essential oils and other secondary plant metabolites, namely, flavonoid-rich compounds) as a novel approach for prevention, management and/or treatment of either non-insulin-dependent diabetes mellitus (T2DM, type 2 DM) and/or Metabolic Syndrome (MS). In this review, some of these promising glucose-lowering agents will be comprehensively discussed.
Spray Drying of a Subcritical Extract Using Marrubium vulgare as a Method of Choice for Obtaining High Quality Powder
Authors: Gavarić Aleksandra , Vladić Jelena , Ambrus Rita , Jokić Stela , Szabó-Révész Piroska , Tomić Milan , Blažić Marijana , Vidović Senka
Published: October 2019

White horehound (Marrubium vulgare L.), is a grey-leaved perennial herb, belonging to Lamiaceae family, distributed in Eurasia and northern Africa. Despite the fact that M. vulgare has been used since ancient times in treating diverse diseases, it is only in the last decade or so that scientists have been able to lay the foundation for its potential pharmacological actions from the results observed through the prism of ethnopharmacological use of this species. The novelty of this study was that subcritical water extraction, acknowledged as a powerful extraction technology to recover phenolic compounds, was coupled with spray drying. The subcritical horehound extract, obtained using optimal process parameters, was used as a liquid feed in spray drying. Maltodextrin was used as a carrier in a concentration of 10%. Thus, two M. vulgare powders, carrier-free and 10% MD, were produced. Comprehensive powders characterization was conducted in order to evaluate their quality. Results confirmed that spray drying can be used as a method of choice for obtaining high quality horehound powders which kept the amorphous structure constant after 6 months.
Pharmacist Services
Authors: Schommer Jon C. , Olson Anthony W.
Published: October 2019

Welcome to the “Pharmacist Services” special issue in the journal Pharmacy, an open access journal with a focus on pharmacy education and practice [...]
Signal Transduction in Leaf Senescence: Progress and Perspective
Authors: Ahmad Salman , Guo Yongfeng
Published: October 2019

Leaf senescence is a degenerative process that is genetically controlled and involves nutrient remobilization prior to the death of leaf tissues. Age is a key developmental determinant of the process along with other senescence inducing factors. At the cellular level, different hormones, signaling molecules, and transcription factors contribute to the regulation of senescence. This review summarizes the recent progress in understanding the complexity of the senescence process with primary focuses on perception and transduction of senescence signals as well as downstream regulatory events. Future directions in this field and potential applications of related techniques in crop improvement will be discussed.
Night Temperature Affects the Growth, Metabolism, and Photosynthetic Gene Expression in Astragalus membranaceus and Codonopsis lanceolata Plug Seedlings
Authors: Liu Ya , Ren Xiuxia , Jeong Byoung Ryong
Published: October 2019

Astragalus membranaceus and Codonopsis lanceolata are two important medical herbs used in traditional Oriental medicine for preventing cancer, obesity, and inflammation. Night temperature is an important factor that influences the plug seedling quality. However, little research has focused on how the night temperature affects the growth and development of plug seedlings of these two medicinal species. In this study, uniform plug seedlings were cultivated in three environmentally controlled chambers for four weeks under three sets of day/night temperatures (25/10 °C, 25/15 °C, or 25/20 °C), the same relative humidity (75%), photoperiod (12 h), and light intensity (150 μmol·m−2·s−1 PPFD) provided by white LEDs. The results showed that night temperature had a marked influence on the growth and development of both species. The night temperature of 15 °C notably enhanced the quality of plug seedlings evidenced by the increased shoot, root, and leaf dry weights, stem diameter, and Dickson’s quality index. Moreover, a night temperature of 15 °C also stimulated and increased contents of primary and secondary metabolites, including soluble sugar, starch, total phenols and flavonoids. Furthermore, the 15 °C night temperature increased the chlorophyll content and stomatal conductance and decreased the hydrogen peroxide content. Analysis of the gene expression showed that granule-bound starch synthase (GBSS), ribulose bisphosphate carboxylase large chain (RBCL), and ferredoxin (FDX) were up-regulated when the night temperature was 15 °C. Taken together, the results suggested that 15 °C is the optimal night temperature for the growth and development of plug seedlings of A. membranaceus and C. lanceolata.
Effect of Nitrogen-Doped Graphene Oxide on the Aging Behavior of Nitrile–Butadiene Rubber
Authors: Chen Songbo , Li Tianxiang , Wan Songhan , Huang Xing , Cai Shuwei , He Xianru , Zhang Rui
Published: October 2019

Nitrogen-doped graphene oxide (GO), namely, NG, was prepared by o-phenylenediamine (OPD) grafting onto GO. The structure and morphology of NG were characterized by FITR, XRD, SEM, EDS, Raman spectroscopy, and TGA. OPD was linked to the GO surface by covalent bonds, and the absorption peak of the C=N bond in the phenazine structure was identified in the FITR spectra. The aging resistance properties of nitrile-butadiene rubber (NBR)-NG composites was investigated by mechanical testing, before and after aging. The resistance of the NBR/NG composites with the addition of 3 phr NG fillers was the highest. The aging mechanism was investigated by TGA-DSC, DMA, equilibrium swelling testing, and ATR-FTIR. The results showed that NG could effectively inhibit chain cross-linking in NBR.
Thiol–Ene Photopolymerization: Scaling Law and Analytical Formulas for Conversion Based on Kinetic Rate and Thiol–Ene Molar Ratio
Authors: Chen Kuo-Ti , Cheng Da-Chuan , Lin Jui-Teng , Liu Hsia-Wei
Published: October 2019

Kinetics and analytical formulas for radical-mediated thiol–ene photopolymerization were developed in this paper. The conversion efficacy of thiol–ene systems was studied for various propagation to chain transfer kinetic rate-ratio (RK), and thiol–ene concentration molar-ratio (RC). Numerical data were analyzed using analytical formulas and compared with the experimental data. We demonstrated that our model for a thiol–acrylate system with homopolymerization effects, and for a thiol–norbornene system with viscosity effects, fit much better with the measured data than a previous model excluding these effects. The general features for the roles of RK and RC on the conversion efficacy of thiol (CT) and ene (CV) are: (i) for RK = 1, CV and CT have the same temporal profiles, but have a reversed dependence on RC; (ii) for RK >> 1, CT are almost independent of RC; (iii) for RK << 1, CV and CT have the same profiles and both are decreasing functions of the homopolymerization effects defined by kCV; (iv) viscosity does not affect the efficacy in the case of RK >> 1, but reduces the efficacy of CV for other values of RK. For a fixed light dose, higher light intensity has a higher transient efficacy but a lower steady-state conversion, resulting from a bimolecular termination. In contrast, in type II unimolecular termination, the conversion is mainly governed by the light dose rather than its intensity. For optically thick polymers, the light intensity increases with time due to photoinitiator depletion, and thus the assumption of constant photoinitiator concentration (as in most previous models) suffers an error of 5% to 20% (underestimated) of the crosslink depth and the efficacy. Scaling law for the overall reaction order, defined by [A]m[B]n and governed by the types of ene and the rate ratio is discussed herein. The dual ratio (RK and RC) for various binary functional groups (thiol–vinyl, thiol–acrylate, and thiol–norbornene) may be tailored to minimize side effects for maximal monomer conversion or tunable degree of crosslinking.
DFT Visualization and Experimental Evidence of BHT-Mg-Catalyzed Copolymerization of Lactides, Lactones and Ethylene Phosphates
Authors: Nifant’ev Ilya , Shlyakhtin Andrey , Kosarev Maxim , Gavrilov Dmitry , Karchevsky Stanislav , Ivchenko Pavel
Published: October 2019

Catalytic ring-opening polymerization (ROP) of cyclic esters (lactides, lactones) and cyclic ethylene phosphates is an effective way to process materials with regulated hydrophilicity and controlled biodegradability. Random copolymers of cyclic monomers of different chemical nature are highly attractive due to their high variability of characteristics. Aryloxy-alkoxy complexes of non-toxic metals such as derivatives of 2,6-di-tert-butyl-4-methylphenoxy magnesium (BHT-Mg) complexes are effective coordination catalysts for homopolymerization of all types of traditional ROP monomers. In the present paper, we report the results of density functional theory (DFT) modeling of BHT-Mg-catalyzed copolymerization for lactone/lactide, lactone/ethylene phosphate and lactide/ethylene phosphate mixtures. ε-Caprolactone (ε-CL), l-lactide (l-LA) and methyl ethylene phosphate (MeOEP) were used as examples of monomers in DFT simulations by the Gaussian-09 program package with the B3PW91/DGTZVP basis set. Both binuclear and mononuclear reaction mechanistic concepts have been applied for the calculations of the reaction profiles. The results of calculations predict the possibility of the formation of random copolymers based on l-LA/MeOEP, and substantial hindrance of copolymerization for ε-CL/l-LA and ε-CL/MeOEP pairs. From the mechanistic point of view, the formation of highly stable five-membered chelate by the products of l-LA ring-opening and high donor properties of phosphates are the key factors that rule the reactions. The results of DFT modeling have been confirmed by copolymerization experiments.
Experimental Characterization of Polymer Surfaces Subject to Corona Discharges in Controlled Atmospheres
Authors: Leon-Garzon Andres R. , Dotelli Giovanni , Tommasini Matteo , Bianchi Claudia L. , Pirola Carlo , Villa Andrea , Lucotti Andrea , Sacchi Benedetta , Barbieri Luca
Published: October 2019

Polymeric dielectrics are employed extensively in the power transmission industry, thanks to their excellent properties; however, under normal operating conditions these materials tend to degrade and fail. In this study, samples of low-density polyethylene, polypropylene, polymethyl methacrylate, and polytetrafluorethylene were subjected to corona discharges under nitrogen and air atmospheres. The discharges introduced structural modifications over the polymer surface. From a chemical perspective, the alterations are analogous among the non-fluorinated polymers (i.e., polyethylene (PE), polypropylene (PP), and polymethyl methacrylate (PMMA)). A simulation of the corona discharge allowed the identification of highly reactive species in the proximity of the surface. The results are consistent with the degradation of insulating polymers in high-voltage applications due to internal partial discharges that ultimately lead to the breakdown of the material.
Erratum: Phase Diagrams of n-Type Low Bandgap Naphthalenediimide-Bithiophene Copolymer Solutions and Blends. Polymers 2019, 11, 1474
Authors: Fanta Gada Muleta , Jarka Pawel , Szeluga Urszula , Tański Tomasz , Kim Jung Yong
Published: October 2019

The authors wish to make a change to the published paper [...]
Properties and Characterization of a PLA–Chitin–Starch Biodegradable Polymer Composite
Authors: Olaiya N.G. , Surya Indra , Oke P.K. , Rizal Samsul , Sadiku E.R. , Ray S.S. , Farayibi P.K. , Hossain Md Sohrab , Abdul Khalil H.P.S.
Published: October 2019

This paper presents a comparison on the effects of blending chitin and/or starch with poly(lactic acid) (PLA). Three sets of composites (PLA–chitin, PLA–starch and PLA–chitin–starch) with 92%, 94%, 96% and 98% PLA by weight were prepared. The percentage weight (wt.%) amount of the chitin and starch incorporated ranges from 2% to 8%. The mechanical, dynamic mechanical, thermal and microstructural properties were analyzed. The results from the tensile strength, yield strength, Young's modulus, and impact showed that the PLA–chitin–starch blend has the best mechanical properties compared to PLA–chitin and PLA–starch blends. The dynamic mechanical analysis result shows a better damping property for PLA–chitin than PLA–chitin–starch and PLA–starch. On the other hand, the thermal property analysis from thermogravimetry analysis (TGA) shows no significant improvement in a specific order, but the glass transition temperature of the composite increased compared to that of neat PLA. However, the degradation process was found to start with PLA–chitin for all composites, which suggests an improvement in PLA degradation. Significantly, the morphological analysis revealed a uniform mix with an obvious blend network in the three composites. Interestingly, the network was more significant in the PLA–chitin–starch blend, which may be responsible for its significantly enhanced mechanical properties compared with PLA–chitin and PLA–starch samples.
The Impact of Laser Radiation on Polypropylene Molded Pieces Depending on Their Surface Conditions
Authors: Czyżewski Piotr , Sykutera Dariusz , Bieliński Marek , Troszyński Adam
Published: October 2019

The article presents an analysis of the impact of a laser beam interaction (Nd: YVO4) with selected operational parameters on the quality of graphical marks obtained on the surfaces of polypropylene-molded pieces with different surface textures (variable parameters of the surface layer). Polypropylene test specimens were produced by injection using the original injection mold, which allowed for the obtainment of products with variable surface finish parameters determined by the surface condition of the forming cavity. The presented relationship between the parameters of laser performance, the texture of a molded piece surface, the molded piece’s color, and types of masterbatches supporting the marking process allows for the assessment of the efficiency of graphic symbol application by laser marking. The original evaluation criteria for the conducted process were adopted.
Bubble Motion and Interfacial Phenomena during Bubbles Crossing Liquid–Liquid Interfaces
Authors: Zhao Hongliang , Wang Jingqi , Zhang Wanlong , Xie Mingzhuang , Liu Fengqin , Cao Xiaochang
Published: October 2019

In metallurgical and chemical engineering processes, the gas–liquid–liquid multiphase flow phenomenon is often encountered. The movement of bubbles in the liquid, and the influence of bubbles on the liquid–liquid interface, have been the focus of extensive research. In the present work, an air–water–oil system was used to explore the movement of bubbles and the phenomenon that occurs when bubbles pass through an interface with various oil viscosities at various gas flow rates. The results show that bubble movement is greatly influenced by the viscosity of the oil at low gas flow rates. The type of phase entrainment and the jet height was changed when increasing the gas flow rate. The stability of the water–oil interface was enhanced with increasing viscosity of the oil phase.
Model-Based Monitoring of Occupant’s Thermal State for Adaptive HVAC Predictive Controlling
Authors: Youssef Ali , Caballero Nicolás , Aerts Jean-Marie
Published: October 2019

Conventional indoor climate design and control approaches are based on static thermal comfort/sensation models that view the building occupants as passive recipients of their thermal environment. Recent advances in wearable sensing technologies and their generated streaming data are providing a unique opportunity to understand the user’s behaviour and to predict future needs. Estimation of thermal comfort is a challenging task given the subjectivity of human perception; this subjectivity is reflected in the statistical nature of comfort models, as well as the plethora of comfort models available. Additionally, such models are using not-easily or invasively measured variables (e.g., core temperatures and metabolic rate), which are often not practical and undesirable measurements. The main goal of this paper was to develop dynamic model-based monitoring system of the occupant’s thermal state and their thermoregulation responses under two different activity levels. In total, 25 participants were subjected to three different environmental temperatures at two different activity levels. The results have shown that a reduced-ordered (second-order) multi-inputs-single-output discrete-time transfer function (MISO-DTF), including three input variables (wearables), namely, aural temperature, heart rate, and average skin heat-flux, is best to estimate the individual’s metabolic rate (non-wearable) with a mean absolute percentage error of 8.7%. A general classification model based on a least squares support vector machine (LS-SVM) technique is developed to predict the individual’s thermal sensation. For a seven-class classification problem, the results have shown that the overall model accuracy of the developed classifier is 76% with an F1-score value of 84%. The developed LS-SVM classification model for prediction of occupant’s thermal sensation can be integrated in the heating, ventilation and air conditioning (HVAC) system to provide an occupant thermal state-based climate controller. In this paper, we introduced an adaptive occupant-based HVAC predictive controller using the developed LS-SVM predictive classification model.
Simulation-Based Design and Economic Evaluation of a Novel Internally Circulating Fluidized Bed Reactor for Power Production with Integrated CO2 Capture
Authors: Cloete Jan Hendrik , Khan Mohammed N. , Cloete Schalk , Amini Shahriar
Published: October 2019

Limiting global temperature rise to well below 2 °C according to the Paris climate accord will require accelerated development, scale-up, and commercialization of innovative and environmentally friendly reactor concepts. Simulation-based design can play a central role in achieving this goal by decreasing the number of costly and time-consuming experimental scale-up steps. To illustrate this approach, a multiscale computational fluid dynamics (CFD) approach was utilized in this study to simulate a novel internally circulating fluidized bed reactor (ICR) for power production with integrated CO2 capture on an industrial scale. These simulations were made computationally feasible by using closures in a filtered two-fluid model (fTFM) to model the effects of important subgrid multiphase structures. The CFD simulations provided valuable insight regarding ICR behavior, predicting that CO2 capture efficiencies and purities above 95% can be achieved, and proposing a reasonable reactor size. The results from the reactor simulations were then used as input for an economic evaluation of an ICR-based natural gas combined cycle power plant. The economic performance results showed that the ICR plant can achieve a CO2 avoidance cost as low as $58/ton. Future work will investigate additional firing after the ICR to reach the high inlet temperatures of modern gas turbines.
Droplet Characteristics of Rotating Packed Bed in H2S Absorption: A Computational Fluid Dynamics Analysis
Authors: Wang Zhihong , Wu Xuxiang , Yang Tao , Wang Shicheng , Liu Zhixi , Dan Xiaodong
Published: October 2019

Rotating packed bed (RPB) has been demonstrated as a significant and emerging technology to be applied in natural gas desulfurization. However, droplet characteristics and principle in H2S selective absorption with N-methyldiethanolamine (MDEA) solution have seldom been fully investigated by experimental method. Therefore, a 3D Eulerian–Lagrangian approach has been established to investigate the droplet characteristics. The discrete phase model (DPM) is implemented to track the behavior of droplets, meanwhile the collision model and breakup model are employed to describe the coalescence and breakup of droplets. The simulation results indicate that rotating speed and radial position have a dominant impact on droplet velocity, average residence time and average diameter rather than initial droplet velocity. A short residence time of 0.039–0.085 s is credited in this study for faster mass transfer and reaction rate in RPB. The average droplet diameter decreases when the initial droplet velocity and rotating speed enhances. Restriction of minimum droplet diameter for it to be broken and an appropriate rotating speed have also been elaborated. Additional correlations on droplet velocity and diameter have been obtained mainly considering the rotating speed and radial position in RPB. This proposed formula leads to a much better understanding of droplet characteristics in RPB.