bluuebunny/crossref_metadata_2025 huggingface dataset:
Vitamin
D
Authors: Carlberg Carsten
Published: February 2018

The fat‐soluble secosteroid vitamin D
3
is synthesised in UV (ultraviolet)‐B exposed human skin. It regulates calcium and phosphorus homeostasis and thus plays an important role in bone mineralisation. Moreover, vitamin D
3
contributes to the control of cellular growth and differentiation as well as to the responsiveness of the innate and adaptive immune system. At insufficient sun exposure, the molecule is a true vitamin and needs to be taken up via diet or by direct supplementation with pills. During the past 50 000 years, the need of sufficient vitamin D
3
synthesis acted an evolutionary driver for skin lightening of anatomically modern humans migrating out of Africa. The vitamin D
3
metabolite 1α,25‐dihydroxyvitamin D
3
is the exclusive high‐affinity ligand of the transcription factor vitamin D receptor and has a direct effect on the expression of >1000 genes. Thus, vitamin D
3
is a modulator of the human epigenome and transcriptome in more than half of all human tissues and cell types.

Key Concepts

In UV‐B exposed human skin, the cholesterol precursor 7‐dehydrocholesterol converts to pre‐vitamin D
3
and then isomerises in a nonenzymatic reaction into vitamin D
3
.

Lifestyle changes significantly reduced the average endogenous vitamin D
3
production in human and caused vitamin D deficiency in most human populations.

Vitamin D
3
is a biologically inert molecule and is enzymatically converted in a two‐step reaction to the nuclear hormone 1,25(OH)
2
D
3
.

25(OH)D
3
serum levels are used as biomarker for the vitamin D status.

Only vertebrates have a full vitamin D endocrine system, formed by plasma transport proteins, metabolising enzymes and a high‐affinity receptor.

The migration of modern humans to less sunny regions in Asia and Europe caused an evolutionary pressure for genetic adaptation in form of gradual skin lightening for more efficient vitamin D
3
production.

The genome‐wide VDR binding pattern is rather cell‐specific, which has an impact on the panel of vitamin D target genes in VDR expressing tissues and cell types.

Vitamin D
3
has a direct effect on the accessibility of chromatin, that is it serves as a modulator of the epigenome.

Humans have an individual response to vitamin D
3
, referred to a vitamin D response index, which allows segregation into high, mid and low responders.

The vitamin D response index suggests for each individual a vitamin D
3
supplementation protocol that will direct to a personal optimal vitamin D status.
Differentiating corporal punishment from physical abuse in the prediction of lifetime aggression
Authors: King Alan R , Ratzak Abrianna , Ballantyne Sage , Knutson Shane , Russell Tiffany D. , Pogalz Colton R. , Breen Cody M.
Published: February 2018

Corporal punishment and parental physical abuse often co‐occur during upbringing, making it difficult to differentiate their selective impacts on psychological functioning. Associations between corporal punishment and a number of lifetime aggression indicators were examined in this study after efforts to control the potential influence of various forms of co‐occurring maltreatment (parental physical abuse, childhood sexual abuse, sibling abuse, peer bullying, and observed parental violence). College students (N = 1,136) provided retrospective self‐reports regarding their history of aggression and levels of exposure to childhood corporal punishment and maltreatment experiences. Analyses focused on three hypotheses: 1) The odds of experiencing childhood physical abuse would be higher among respondents reporting frequent corporal punishment during upbringing; 2) Corporal punishment scores would predict the criterion aggression indices after control of variance associated with childhood maltreatment; 3) Aggression scores would be higher among respondents classified in the moderate and elevated corporal punishment risk groups. Strong support was found for the first hypothesis since the odds of childhood physical abuse recollections were higher (OR = 65.3) among respondents who experienced frequent (>60 total disciplinary acts) corporal punishment during upbringing. Partial support was found for the second and third hypotheses. Dimensional and categorical corporal punishment scores were associated significantly with half of the criterion measures. These findings support efforts to dissuade reliance on corporal punishment to manage child behavior.
Evaluation of surface and shallow depth dose reductions using a Superflab bolus during conventional and advanced external beam radiotherapy
Authors: Yoon Jihyung , Xie Yibo , Zhang Rui
Published: February 2018

The purpose of this study was to evaluate a methodology to reduce scatter and leakage radiations to patients’ surface and shallow depths during conventional and advanced external beam radiotherapy. Superflab boluses of different thicknesses were placed on top of a stack of solid water phantoms, and the bolus effect on surface and shallow depth doses for both open and intensity‐modulated radiotherapy (IMRT) beams was evaluated using thermoluminescent dosimeters and ion chamber measurements. Contralateral breast dose reduction caused by the bolus was evaluated by delivering clinical postmastectomy radiotherapy (PMRT) plans to an anthropomorphic phantom. For the solid water phantom measurements, surface dose reduction caused by the Superflab bolus was achieved only in out‐of‐field area and on the incident side of the beam, and the dose reduction increased with bolus thickness. The dose reduction caused by the bolus was more significant at closer distances from the beam. Most of the dose reductions occurred in the first 2‐cm depth and stopped at 4‐cm depth. For clinical PMRT treatment plans, surface dose reductions using a 1‐cm Superflab bolus were up to 31% and 62% for volumetric‐modulated arc therapy and 4‐field IMRT, respectively, but there was no dose reduction for Tomotherapy. A Superflab bolus can be used to reduce surface and shallow depth doses during external beam radiotherapy when it is placed out of the beam and on the incident side of the beam. Although we only validated this dose reduction strategy for PMRT treatments, it is applicable to any external beam radiotherapy and can potentially reduce patients’ risk of developing radiation‐induced side effects.
Electromagnetic analysis of semi‐interpenetrating polymer network of fullerene‐based polyacrylonitrile and polyaniline
Authors: Kamal Meet , Jafri Mohd Meraj , Singh Dhruv K. , Shami Trilok C. , Baskey Himanshu B.
Published: February 2018

A semi‐interpenetrating polymer network (IPN) of fullerene‐based polyacrylonitrile and polyaniline is synthesized. The fabricated IPN is characterized by infrared spectroscopic technique, differential scanning calorimetric analysis, thermogravimetric analysis (TGA), conductivity analysis, field emission scanning electron microscopic techniques, transmission loss, complex permittivity, and permeability characteristics. The IPN was characterized by infrared spectroscopy (IR), which showed bands of fullerene at 525 and 1,602 cm−1, for polyacrylonitrile (PAN) at 3,006, 1,408, 1,370, and 2,237 cm−1, and for polyaniline (PANI), it reveals peaks at 3,423, 3,085, 1,583, 1,629, 1,268, 1,314, 907, 989, and 2,929 cm−1, respectively. Shifting in band positions indicates the interpenetration of the reacting species. The maximum value of ε′, ε′′, tanδεr, μ′, μ′′, and tanδμr for IPN “A” and “B” has reached 5.06, 2.26, 2.80, 0.90, 0.83, 2.3, 6.1, 3.69, 3.96, 1.0, 0.85, and 2.77, respectively, depicting relatively higher permittivity and permeability of sample B over A. The maximum value of transmission loss for sample A and B has reached 9.8 and 9.9 dB, respectively, which implies enhanced electromagnetic behavior of sample B over A. The maximum value of conductivity of IPN sample “A” and “B” is found to be 1.7 and 2.5 S/m, respectively. Sample “B” shows enhanced conductivity over sample A. Permeability, permittivity, transmission loss, and conductivity data reveal the conducting character of polymer network. Thermogravimetric analysis is used to calculate initial thermal decomposition of IPN sample “A” and “B” which are found to be at 250 and 370°C, respectively. Differential scanning calorimetric (DSC) thermogram of IPN samples A and B shows glass transition temperature (Tg) at 433.7 and 440.8°C, respectively. The microstructure of polymer network is analyzed using field emission scanning electron microscopy (FE‐SEM) having 100‐nm resolution which reveals clear dual phase morphology of semi‐IPN films.
Non‐syndromic bilateral ulnar aplasia with humero‐radial synostosis and oligo‐ectro‐dactyly
Authors: McVeigh Terri P. , Soye Jonathan A. , Gordon Emma , Lynch Sally A.
Published: February 2018

Congenital anomalies of the upper limbs are rare and etiologically heterogeneous. Herein, we report a male infant with non‐syndromic bilateral Type Vb ulnar longitudinal dysplasia with radiohumeral synostosis (apparent humeral bifurcation), and bilateral oligo‐ectro‐syndactyly who was born following an uncomplicated pregnancy, with no maternal use of prescription or illicit medication. Array CGH (60,000 probes) and chromosomal breakage analysis (DEB) were normal. Similar appearances have been reported in children exposed to thalidomide or cocaine, but sporadic patients have also been reported without a prior history of exposure to known teratogens.
Intranasal oxytocin modulates neural functional connectivity during human social interaction
Authors: Rilling James K. , Chen Xiangchuan , Chen Xu , Haroon Ebrahim
Published: February 2018

Oxytocin (OT) modulates social behavior in primates and many other vertebrate species. Studies in non‐primate animals have demonstrated that, in addition to influencing activity within individual brain areas, OT influences functional connectivity across networks of areas involved in social behavior. Previously, we used fMRI to image brain function in human subjects during a dyadic social interaction task following administration of either intranasal oxytocin (INOT) or placebo, and analyzed the data with a standard general linear model. Here, we conduct an extensive re‐analysis of these data to explore how OT modulates functional connectivity across a neural network that animal studies implicate in social behavior. OT induced widespread increases in functional connectivity in response to positive social interactions among men and widespread decreases in functional connectivity in response to negative social interactions among women. Nucleus basalis of Meynert, an important regulator of selective attention and motivation with a particularly high density of OT receptors, had the largest number of OT‐modulated connections. Regions known to receive mesolimbic dopamine projections such as the nucleus accumbens and lateral septum were also hubs for OT effects on functional connectivity. Our results suggest that the neural mechanism by which OT influences primate social cognition may include changes in patterns of activity across neural networks that regulate social behavior in other animals.
Influence of the structure of polymer fiber composites on the analysis of the zeta potential
Authors: Petrinić Irena , Bukšek Hermina , Luxbacher Thomas , Pušić Tanja , Bischof Sandra
Published: February 2018

This article addresses the questions about the influence of surface area, roughness, and sample mounting on the zeta potential analysis. A series of knitted yarns and fabrics of cotton and modacryl and their blends represent a real‐life model system to study these effects. The combination of the natural cotton and the man‐made modacryl makes possible to study the effect of the different origin for surface and interfacial charge and the surface area‐weighted contributions to the average zeta potential of a chemically heterogeneous composite material. In our study, two measuring cells of the SurPASS electrokinetic analyzer were used, namely the Cylindrical Cell and the Adjustable Gap Cell. Comparison of the results obtained in two different measuring cells was related to the measured material. We used the Cylindrical Cell for both the zeta potential analysis of yarn and knitted fabrics and compared these results with data obtained for knitted fabrics using the Adjustable Gap Cell. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46227.
Preparation of high‐k composites with low dielectric loss based on the double‐layer coaxial structure of inorganic/polymer
Authors: Zhao Yuhui , Luo Li , Tang Hongfeng , Zhou Zheng , Chen Guang‐Xin , Li Qifang
Published: February 2018

This study presents a novel and simple modification of cladding multiwalled carbon nanotubes (MWCNTs) using organic polymer and inorganic nanoparticles to synthesize a product, which has a double‐cladding coaxial structure and can be applied as filler in the dielectric field. The first layer of MWCNTs was coated with polyaniline (PANI) through the oxidation–reduction reaction mechanism using Ce(NH4)2(NO3)6 as oxidizing agent and metal precursor of cerium oxide. Cerium ions on the second cladding layer of MWCNTs were directly deposited from the solution to the surface of the PANI layer forming the double‐cladding hybrid (CeO2/PANI@MWCNTs). The external inorganic layer provides an insulating shell, which can prevent the contact between the conductive particles and hinder the migration of electrons between the MWCNTs. The intermediate layer of PANI provides the bonding between CeO2 and the conductive core of MWCNTs, which also shows lower conductivity than carbon nanotubes. The CeO2/PANI@MWCNTs were compounded with epoxy (EP) resin and formed a dielectric material with the advantage of reducing dielectric loss while ensuring high dielectric constant. The dielectric constant of the coated MWCNTs/EP composites was 194.90 at 103 Hz with the content of fillers reaching 30 wt %, which is 28 times that of the pure EP. Accordingly, the dielectric loss of 30 wt % coated MWCNTs/EP composites was only 0.09 at 103 Hz, which is only 2.25 times that of the pure EP. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46299.
Stable anion exchange membranes derived from fluorinated poly(aryl ethers) with quaternized fluorene units for fuel cell applications
Authors: Gao Qi , Pan Xueting , Buregeya Providence Ingabire , Lu Yao , Zhang Xulve , Yan Xiaobo , Hu Zhaoxia , Chen Shouwen
Published: February 2018

A series of fluorinated poly(aryl ethers) containing benzyltrimethyl quaternary ammonium functionalized fluorene units (QPFAE) are synthesized via condensation polymerization, chloromethylation, and quaternization. Ionomer structure and the ion exchange capacity are confirmed by 1H‐nuclear magnetic resonance spectroscopy. Other characterization techniques such as Fourier transform infrared spectroscopy, atomic force microscopy, thermogravimetric analysis, gel permeation chromatography, electrochemical impedance spectroscopy, Fenton, water‐swelling, and hydrolytic aging tests are used to evaluate the physicochemical properties of the as‐prepared QPFAE membranes. For the QPFAE membranes with ion exchange capacity of 0.95–1.94 mmol/g, they displayed low water uptake and methanol permeability (4.59–26.1 × 10−8 cm2/s at 25 °C), fairly good dimensional stability, high mechanical toughness, as well as fine thermal‐oxidative‐hydrolytic stability and ion conductivity at least 10 mS/cm. The membranes also showed clear hydrophilic/hydrophobic phase‐separation morphology. Furthermore, the QPFAE membranes could endure harsh basic conditions (1–4 mol/L NaOH solution) at 60 and 80 °C at least 240 h, keeping rather high mechanical toughness and ion conduction capability during the aging test. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46301.
Crystal phase transition dependence of the energy storage performance of poly(vinylidene fluoride) and poly(vinylidene fluoride‐hexafluoropropene) copolymers
Authors: Xia Weimin , Zhou Zhenji , Liu Yang , Wang Qing , Zhang Zhicheng
Published: February 2018

Large‐scale mechanical stretching has been performed to modify the crystal phase structures of the pristine poly(vinylidene fluoride) (PVDF) and its copolymer poly(vinylidene fluoride‐hexafluoropropylene) [P(VDF‐HFP)] with various molar contents HFP in an attempt to improve their energy storage performances. It is found that the physical stretched PVDF and P(VDF‐HFP) 95.5/4.5 mol % films have a phase transition from the nopolar α‐phase to highly polar β‐phase, which is different from the P(VDF‐HFP) films with relative high HFP molar contents (α to γ phases). The following results show that the phase transition in these PVDF‐based polymers has a significant effect on their dielectric and energy storage performances. On account of the reformation of the crystalline property and elimination of the impurity defects, an ultra‐high breakdown electric field of ∼900 MV/m has been obtained in all the stretched samples. Consequently, the higher discharged energy densities of 27.1 and 27.7 J/cm3 are calculated from the D–E loops of the β‐PVDF and β‐P(VDF‐HFP) 95.5/4.5 mol % films, respectively. Regarding their excellent discharging energy density of ∼10 J/cm3 under 600 MV/m for thousands of times, the stretched PVDF and its copolymer P(VDF‐HFP)s are promising candidates for high power capacitors applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46306.
Poly(vinyl alcohol)/chitosan/honey/clay responsive nanocomposite hydrogel wound dressing
Authors: Noori S. , Kokabi M. , Hassan Z. M.
Published: February 2018

Many efforts have been made to develop modern wound dressings to overcome limitations of traditional ones. Smart nanocomposite hydrogels are appropriate candidates. In this work, a novel responsive nanocomposite hydrogel based on poly(vinyl alcohol)/chitosan/honey/clay was developed and evaluated as a novel wound dressing. The morphology and properties of synthesized nanocomposite hydrogels loaded with honey as a drug model were investigated. The exfoliated morphology of nanocomposite was confirmed by X‐ray diffractometry. Swelling studies were performed at 20 and 37 °C at various pH. The results showed that swelling increased as a result of temperature rise and maximum swelling occurred at a pH of 2. In vitro release of honey was also studied at the same conditions. Corresponding results indicated faster honey release rate at higher pH values. MTT results exhibited no cytotoxicity in nanocomposite hydrogel system. Investigation of antibacterial activity revealed more than 99% antibacterial activity for proposed system. In vivo results confirmed the wound healing ability of developed system. Generally, appropriate properties of proposed system made it ideal in wound dressing applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46311.
Efficient bioconversion of oleuropein from olive leaf extract to antioxidant hydroxytyrosol by enzymatic hydrolysis and high‐temperature degradation
Authors: Liu Min , Yong Qiang , Yu Shiyuan
Published: February 2018

Hydroxytyrosol (HT), a powerful antioxidant, clears free radicals and exhibits many biological activities. Because contents of HT are low in natural sources, bioconversion of oleuropein (OLE) to HT is of increasing interest. A biotechnological process was investigated to produce HT from OLE presented in olive leaf extract. Enzymatic hydrolysis using two cellulases with high β‐glucosidase activity, Novozymes CTec2 and commercial cellulase KDN (Qingdao, People's Republic of China) was carried out at 50 °C for 12 H followed by raising the temperature to 90 °C for chemical hydrolysis. After 48 H of hydrolysis, an OLE degradation rate of 100% and a HT yield of 86–88% were achieved. These cellulases degrade OLE and release a glucose molecule. Chemical hydrolysis at a high temperature promotes the cleavage of ester bond and the formation of HT. This process has a promising alternative for production of HT comparing with acid hydrolysis which not only causes significant pollution to the environment but also makes difficult to the subsequent separation.
Differentiation of 3D‐shape‐controlled mouse neural stem cell to neural tissues in closed agarose microchambers
Authors: Matsushiro Yuki , Kato‐Negishi Midori , Onoe Hiroaki
Published: February 2018

This paper describes three‐dimensional (3D) tissue shape control of mouse neural stem cell (mNSC) micro tissues by using closed agarose microchambers for effective differentiation induction of neurons in vitro. Our agarose microchambers, made by micromolding, can be sealed with an agarose sheet to form the mNSC tissues along the shape of microchambers. We constructed lane‐shaped mNSC tissues with different width (∼60–210 μm) and thickness (∼25–95 μm) dimensions and induced differentiation to neurons with differentiation medium. We found that in thick tissues (thickness: >60 μm), distribution of differentiated neurons was not uniform, whereas in thin tissues (thickness: ∼30 μm), differentiated neurons were uniformly distributed with high differentiation efficiency. Our system to construct in vitro 3D neural tissues having uniformly distributed neurons at high differentiation ratio, could become an effective tool for drug screening using 3D neural tissues and 3D mNSC tissues under differentiation induction.
Butyrated ManNAc analog improves protein expression in Chinese hamster ovary cells
Authors: Yin Bojiao , Wang Qiong , Chung Cheng‐Yu , Ren Xiaozhi , Bhattacharya Rahul , Yarema Kevin J. , Betenbaugh Michael J.
Published: February 2018

The chemical additive sodium butyrate (NaBu) has been applied in cell culture media as a direct and convenient method to increase the protein expression in Chinese hamster ovary (CHO) and other mammalian cells. In this study, we examined an alternative chemical additive, 1,3,4‐O‐Bu3ManNAc, for its effect on recombinant protein production in CHO. Supplementation with 1,3,4‐O‐Bu3ManNAc for two stable CHO cell lines, expressing human erythropoietin or IgG, enhanced protein expression for both products with negligible impact on cell growth, viability, glucose utilization, and lactate accumulation. In contrast, sodium butyrate treatment resulted in a ∼20% decrease in maximal viable cell density and ∼30% decrease in cell viability at the end of cell cultures compared to untreated or 1,3,4‐O‐Bu3ManNAc treated CHO cell lines for both products. While NaBu treatment enhanced product yields more than the 1,3,4‐O‐Bu3ManNAc treatment, the NaBu treated cells also exhibited higher levels of caspase 3 positive cells using microscopy analysis. Furthermore, the mRNA levels of four cell apoptosis genes (Cul2, BAK, BAX, and BCL2L11) were up‐regulated more in sodium butyrate treated wild‐type, erythropoietin, or IgG expressing CHO‐K1 cell lines while most of the mRNA levels of apoptosis genes in 1,3,4‐O‐Bu3ManNAc treated cell lines remained equal or increased only slightly compared to the levels in untreated CHO cell lines. Finally, lectin blot analysis revealed that the 1,3,4‐O‐Bu3ManNAc‐treated cells displayed higher relative sialylation levels on recombinant EPO, consistent with the effect of the ManNAc component of this additive, compared to control while NaBu treatment led to lower sialylation levels than control, or 1,3,4‐O‐Bu3ManNAc‐treatment. These findings demonstrate that 1,3,4‐O‐Bu3ManNAc has fewer negative effects on cell cytotoxicity and apoptosis, perhaps as a result of a more deliberate uptake and release of the butyrate compounds, while simultaneously increasing the expression of multiple recombinant proteins, and improving the glycosylation characteristics when applied at comparable molarity levels to NaBu. Thus, 1,3,4‐O‐Bu3ManNAc represents a highly promising media additive alternative in cell culture for improving protein yields without sacrificing cell mass and product quality in future bioproduction processes.
Highly sensitive detection of mutations in CHO cell recombinant DNA using multi‐parallel single molecule real‐time DNA sequencing
Authors: Cartwright Joseph F. , Anderson Karin , Longworth Joseph , Lobb Philip , James David C.
Published: February 2018

High‐fidelity replication of biologic‐encoding recombinant DNA sequences by engineered mammalian cell cultures is an essential pre‐requisite for the development of stable cell lines for the production of biotherapeutics. However, immortalized mammalian cells characteristically exhibit an increased point mutation frequency compared to mammalian cells in vivo, both across their genomes and at specific loci (hotspots). Thus unforeseen mutations in recombinant DNA sequences can arise and be maintained within producer cell populations. These may affect both the stability of recombinant gene expression and give rise to protein sequence variants with variable bioactivity and immunogenicity. Rigorous quantitative assessment of recombinant DNA integrity should therefore form part of the cell line development process and be an essential quality assurance metric for instances where synthetic/multi‐component assemblies are utilized to engineer mammalian cells, such as the assessment of recombinant DNA fidelity or the mutability of single‐site integration target loci. Based on Pacific Biosciences (Menlo Park, CA) single molecule real‐time (SMRT™) circular consensus sequencing (CCS) technology we developed a rDNA sequence analysis tool to process the multi‐parallel sequencing of ∼40,000 single recombinant DNA molecules. After statistical filtering of raw sequencing data, we show that this analytical method is capable of detecting single point mutations in rDNA to a minimum single mutation frequency of 0.0042% (<1/24,000 bases). Using a stable CHO transfectant pool harboring a randomly integrated 5 kB plasmid construct encoding GFP we found that 28% of recombinant plasmid copies contained at least one low frequency (<0.3%) point mutation. These mutations were predominantly found in GC base pairs (85%) and that there was no positional bias in mutation across the plasmid sequence. There was no discernable difference between the mutation frequencies of coding and non‐coding DNA. The putative ratio of non‐synonymous and synonymous changes within the open reading frames (ORFs) in the plasmid sequence indicates that natural selection does not impact upon the prevalence of these mutations. Here we have demonstrated the abundance of mutations that fall outside of the reported range of detection of next generation sequencing (NGS) and second generation sequencing (SGS) platforms, providing a methodology capable of being utilized in cell line development platforms to identify the fidelity of recombinant genes throughout the production process.
Proteomics in biomanufacturing control: Protein dynamics of CHO‐K1 cells and conditioned media during apoptosis and necrosis
Authors: Albrecht Simone , Kaisermayer Christian , Gallagher Clair , Farrell Amy , Lindeberg Anna , Bones Jonathan
Published: February 2018

Cell viability has a critical impact on product quantity and quality during the biomanufacturing of therapeutic proteins. An advanced understanding of changes in the cellular and conditioned media proteomes upon cell stress and death is therefore needed for improved bioprocess control. Here, a high pH/low pH reversed phase data independent 2D‐LC‐MSE discovery proteomics platform was applied to study the cellular and conditioned media proteomes of CHO‐K1 apoptosis and necrosis models where cell death was induced by staurosporine exposure or aeration shear in a benchtop bioreactor, respectively. Functional classification of gene ontology terms related to molecular functions, biological processes, and cellular components revealed both cell death independent and specific features. In addition, label free quantitation using the Hi3 approach resulted in a comprehensive shortlist of 23 potential cell viability marker proteins with highest abundance and a significant increase in the conditioned media upon induction of cell death, including proteins related to cellular stress response, signal mediation, cytoskeletal organization, cell differentiation, cell interaction as well as metabolic and proteolytic enzymes which are interesting candidates for translating into targeted analysis platforms for monitoring bioprocessing response and increasing process control.
Chemical Composition and Antimicrobial Activity of Ageratina deltoidea
Authors: Arciniegas Amira , Pérez‐Castorena Ana L. , Meléndez‐Aguirre Mariana , Ávila José Guillermo , García‐Bores Ana María , Villaseñor José Luis , Romo de Vivar Alfonso
Published: February 2018

The chemical study of Ageratina deltoidea afforded grandiflorenic acid (1), ent‐kaurenoic acid (2), and eight benzylbenzoates (3 – 10), two of them, 3,5‐dimethoxybenzyl 2,3,6‐trimethoxybenzoate (5) and 4‐(β‐d‐glucopyranosyloxy)‐3‐hydroxybenzyl 2,6‐dimethoxybenzoate (9), described for the first time. In addition, the new sesquiterpene lactone deltoidin C (13), together with the known 11 and 12, the phenolic compounds: ayanin, 2,6‐dimethoxybenzoic acid, methyl 3,4‐dihydroxycinnamate, chlorogenic acid, and 3,5‐dicaffeoylquinic acid were also isolated. The structures of these compounds were determined by spectroscopic methods and chemical reactions. The antibacterial and antifungal activities of compounds 1 – 12 were evaluated on Staphylococcus aureus, Escherichia coli, and Candida albicans. Deltoidin A (11) was the most active antibacterial agent (MIC 16.0 μg ml−1) against E. coli, and the ent‐kaurenoid derivatives (1 – 2) showed activity (MIC 31.0 μg ml−1) against S. aureus.
High‐Quality Platinum–Iron Nanodendrites with a Multibranched Architecture as Efficient Electrocatalysts for the Ethanol Oxidation Reaction
Authors: Xu Hui , Song Pingping , Wang Jin , Gao Fei , Zhang Yangping , Shiraishi Yukihide , Du Yukou
Published: February 2018

Although great success has been made in the design of well‐defined nanocrystals (NCs) with various morphologies, a facile method to prepare desirable NCs with large active surface areas and unique facets remains an arduous challenge. Herein, we demonstrate a facile method for the successful synthesis of high‐quality PtFe nanodendrites with a multibranched architecture; these nanodendrites have an abundance of exposed surface active sites that are available for ethanol molecules. Detailed study of its electrocatalytic properties revealed that the resultant superbranched PtFe nanocatalysts displayed superior electrocatalytic activity towards ethanol oxidation with unprecedentedly high mass/specific activities of 3692.5 mA mg−1 and 7.02 mA cm−2; these values are 9.3 and 10.0‐fold higher than those of a commercial Pt/C catalyst, signifying that the these nanodendrites may serve as highly efficient catalysts for fuel cells and beyond.
Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation
Authors: Berger Robert F.
Published: February 2018

In the current decade, perovskite solar cell research has emerged as a remarkably active, promising, and rapidly developing field. Alongside breakthroughs in synthesis and device engineering, halide perovskite photovoltaic materials have been the subject of predictive and explanatory computational work. In this Minireview, we focus on a subset of this computation: density functional theory (DFT)‐based work highlighting the ways in which the electronic structure and band gap of this class of materials can be tuned via changes in atomic structure. We distill this body of computational literature into a set of underlying design principles for the band gap engineering of these materials, and rationalize these principles from the viewpoint of band‐edge orbital character. We hope that this perspective provides guidance and insight toward the rational design and continued improvement of perovskite photovoltaics.
Anatomical characterization of PDF‐tri neurons and peptidergic neurons associated with eclosion behavior in Drosophila
Authors: Selcho Mareike , Mühlbauer Barbara , Hensgen Ronja , Shiga Sakiko , Wegener Christian , Yasuyama Kouji
Published: February 2018

The peptidergic Pigment‐dispersing factor (PDF)‐Tri neurons are a group of non‐clock neurons that appear transiently around the time of adult ecdysis (=eclosion) in the fruit fly Drosophila melanogaster. This specific developmental pattern points to a function of these neurons in eclosion or other processes that are active around pupal–adult transition. As a first step to understand the role of these neurons, we here characterize the anatomy of the PDF‐Tri neurons. In addition, we describe a further set of peptidergic neurons that have been associated with eclosion behavior, eclosion hormone (EH), and crustacean cardioactive peptide (CCAP) neurons, to single cell level in the pharate adult brain. PDF‐Tri neurons as well as CCAP neurons co‐express a classical transmitter indicated by the occurrence of small clear vesicles in addition to dense‐core vesicles containing the peptides. In the tritocerebrum, gnathal ganglion and the superior protocerebrum PDF‐Tri neurites contain peptidergic varicosities and both pre‐ and postsynaptic sites, suggesting that the PDF‐Tri neurons represent modulatory rather than pure interneurons that connect the subesophageal zone with the superior protocerebrum. The extensive overlap of PDF‐Tri arborizations with neurites of CCAP‐ and EH‐expressing neurons in distinct brain regions provides anatomical evidence for a possible function of the PDF‐Tri neurons in eclosion behavior.
Gradient‐based optimization with B‐splines on sparse grids for solving forward‐dynamics simulations of three‐dimensional, continuum‐mechanical musculoskeletal system models
Authors: Valentin J. , Sprenger M. , Pflüger D. , Röhrle O.
Published: February 2018

Investigating the interplay between muscular activity and motion is the basis to improve our understanding of healthy or diseased musculoskeletal systems. To be able to analyze the musculoskeletal systems, computational models are used. Albeit some severe modeling assumptions, almost all existing musculoskeletal system simulations appeal to multibody simulation frameworks. Although continuum‐mechanical musculoskeletal system models can compensate for some of these limitations, they are essentially not considered because of their computational complexity and cost. The proposed framework is the first activation‐driven musculoskeletal system model, in which the exerted skeletal muscle forces are computed using 3‐dimensional, continuum‐mechanical skeletal muscle models and in which muscle activations are determined based on a constraint optimization problem. Numerical feasibility is achieved by computing sparse grid surrogates with hierarchical B‐splines, and adaptive sparse grid refinement further reduces the computational effort. The choice of B‐splines allows the use of all existing gradient‐based optimization techniques without further numerical approximation. This paper demonstrates that the resulting surrogates have low relative errors (less than 0.76%) and can be used within forward simulations that are subject to constraint optimization. To demonstrate this, we set up several different test scenarios in which an upper limb model consisting of the elbow joint, the biceps and triceps brachii, and an external load is subjected to different optimization criteria. Even though this novel method has only been demonstrated for a 2‐muscle system, it can easily be extended to musculoskeletal systems with 3 or more muscles.
The influence of color on impulsiveness and arousal: Part 2 – Chroma
Authors: Duan Yiting , Rhodes Peter A. , Cheung Vien
Published: February 2018

In the preceding Part 1, the effect of hue on impulsiveness and arousal was studied. From those results, yellow, red and orange were selected for further investigation since participants' performance was consistent with a low arousal state (high error rate and long response time) for the yellow background and high arousal state (low error rate and short response time) for the red background, whereas orange tended to result in high impulsiveness. This article will mainly investigate the fundamental theory of how chroma influences people's impulsiveness and arousal state. As in the previous article, the two main factors used to measure impulsiveness and arousal are also response time and error rate for each colored background. In the psychophysical experiment, participants were looking separately at backgrounds consisting of three hues (red, yellow and orange) with different chroma levels on screen to complete a range of psychometric tests. During the experiment, participants gave their response to the psychometric test as quickly and accurately as possible. From the results it can be seen that chroma has a significant influence on participants' response time and error rate, and influences impulsiveness and arousal. Gender difference will also be discussed in this article.
Observer preference for perceived illumination chromaticity
Authors: Bodrogi Peter , Guo Xue , Stojanovic Dragana , Fischer Sebastian , Khanh Tran Quoc
Published: February 2018

Subjects assessed white tone preference and tint percentage perception (e.g., a faint greenish tint perceived in the white tone) in a viewing booth containing small colored objects at the illuminance level of 1000 lx for cool white, neutral white and warm white spectra. White points with the lowest perceived tint percentage were most preferred. White tone preference was rated on interval scales labeled by semantic categories, for example, “very good,” “good,” and “moderate” The location of the white points of different preference levels (e.g., “good‐very good” level or “moderate‐good” level) was depicted in the u′‐v′ chromaticity diagram. The most preferred white points were located below the Planckian locus, inside the region of the white points required by CIE Publication 13.3 (1995) with the criterion of the chromaticity difference DC being <0.0054. The most preferred correlated color temperature (CCT) was at 3400, 4500, and 5800 K in the warm, neutral, and cool white CCT groups, respectively. Results were interpreted in terms of the Rea and Freyssinier (2014) model.
Computational color analysis of paintings for different artists of the XVI and XVII centuries
Authors: Romero Javier , Gómez‐Robledo Luis , Nieves Juan
Published: February 2018

We have performed a computational color analysis of images of paintings for six master painters: Titian, Rubens, El Greco, Velázquez, Rembrandt, and Vermeer. These painters show the evolution from the renaissance to the baroque style. Different first and second‐order statistical parameters have been obtained and analyzed in order to fix which of them can be common for the different artists and which of them can be representative of a certain period of time or the evolution of the art. The firsts include the orientation and semi‐axes ratio of the ellipses that define the gamut in the chromaticity diagram and the dependencies with the frequency of the power of the Fourier transforms. Most differences among artists can be found in the volume and area of the gamut, the number of discernible colors which is greater for Titian, El Greco and Rubens, compared to Velázquez, Rembrandt and Vermeer, the average value of L* and the number of dark pixels.
Transformation of Stored Energy into Light in the Chemiluminescence of 1,2‐Dioxetanes
Authors: Lu Gonghao , Oda Takahiro , Araki Hiroyuki , Iga Hiroshi , Matsumoto Masakatsu , Kimura Masaru , Hu Zhizhi , Zhang Zhiqiang
Published: February 2018

Chemiluminescence (CL) is a chemical phenomenon in which stored energy is transformed into light. The stored energy in a CL system must be sufficient to generate electronically excited carbonyl products. Rapid transfer of the heat of reaction is required to produce CL. However, this transformation of heat into light has not been demonstrated by correlating the reaction energies available with the light energies produced. We addressed this problem by re‐evaluating the reactions of a series of 1,2‐dioxetanes by making calorimetric measurements of heats of reaction and transformation efficiencies (ΦET), and compared the results with quantum yields (ΦCL) of CL reactions. Our results provide experimental support that the ΦET values of the 1,2‐dioxetanes were essentially the same as their ΦCL values. Additionally, we addressed the even−odd (meta–para) substitution issue through discussion of the heats of reaction of 1 m (3‐(2′‐spiroa‐damantane)‐4‐methoxy‐4‐(3“‐tert‐butyldimethylsilyloxy)phenyl‐1,2‐dioxetane) and 1 p (3‐(2′‐spiroadamantane)‐4‐methoxy‐4‐(4′′‐tert‐butyldimethyl‐silyloxy)‐phenyl‐1,2‐dioxetane) with the aid of empirical calculations and kinetic studies. We found that 1 m− provides sufficient stored energy to give the emitter 5 m−* while the energy level of emitter 5 p−* is higher than the stored energy of 1 p−. Thus, the transition energy of 1 m− is higher than that of 1 p−. The even−odd substitution effect therefore was manifested as different degrees of stored energy and transition‐state energy.
Circularly Polarized Luminescence and Circular Dichroisms in Small Organic Molecules: Correlation between Excitation and Emission Dissymmetry Factors
Authors: Tanaka Hiroki , Inoue Yoshihisa , Mori Tadashi
Published: February 2018

Prompted by the recent rapid growth of interest in circularly polarized luminescence (CPL) of organic molecules, we have collected all the reliable CPL, as well as the corresponding circular dichroism (CD), data measured in fluid solutions. To analyze the correlation between CPL and CD, we employed the absorption and luminescence dissymmetry factors (gabs and glum) of the π–π* transition reported for chiral organic molecules of various categories, including planar chiral cyclophanes and helicenes, axially chiral biaryls and spiro compounds, and point‐ and axially chiral BODIPY derivatives. In rigid π‐systems, the absorption and fluorescence spectra are often mirror images of each other with a small Stokes shift, reflecting the minimal conformational relaxation in the emissive excited state, which should also affect the chiroptical properties in the excited state and be better sensed by CPL. However, no comprehensive efforts have hitherto been made to correlate the two relevant chiroptical properties, i. e. CPL versus CD, and also to quantitatively elucidate the effects of conformational relaxation in the excited state on the CPL behavior. The global linear regression analysis of all the reported gabs and glum values, though fairly scattered (see TOC), led us to a quantitative relationship: |glum|=0.81×|gabs| (r2=0.60), which demonstrates that the CPL dissymmetry factor is proportional to, and smaller than, the CD dissymmetry factor. A closer look revealed that the slope of the plot, or the proportional coefficient, is a critical function of the class of compounds, varying from 0.99 for cyclophanes to 0.93 for biaryls, to 0.77 for BODIPYs, and then to 0.61 for helicenes/helicenoids. The scattered glum–gabs plot and the general trend glum≤gabs appear to be inherent to the CPL of organic molecules in their isolated states, originating from the conformational flexibility, vibrational contribution, and Stokes shift that differ in each category.
The metabolism of flubendazole in human liver and cancer cell lines
Authors: Stuchlíková Lucie , Králová Věra , Lněničková Kateřina , Zárybnický Tomáš , Matoušková Petra , Hanušová Veronika , Ambrož Martin , Šubrt Zdeněk , Skálová Lenka
Published: February 2018

Flubendazole (FLU), a benzimidazole anthelmintic drug widely used in veterinary medicine, has been approved for the treatment of gut‐residing nematodes in humans. In addition, FLU is now considered a promising anti‐cancer agent. Despite this, information about biotransformation of this compound in human is lacking. Moreover, there is no information regarding whether cancer cells are able to metabolize FLU in order to deactivate it. For these reasons, the present study was designed to identify all metabolites of Phase I and Phase II of FLU in human liver and in various cancer cells using ultra high‐performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS) analysis. Precision‐cut human liver slices and 9 cell lines of different origin (breast, colon, oral cavity) were used as in vitro model systems. Our study showed that FLU with a reduced carbonyl group (FLUR) is the only FLU metabolite formed in the human liver. All human cancer cell lines were able to form FLUR. In addition, methylated FLUR was detected in breast cells MCF7 and intestinal SW480 cells. The accumulation of FLU and its reduction to FLUR markedly differed among cells. The extent of FLU reduction was in a good correlation with the detected expression level of carbonyl reductase 1. In most cases, FLU entered in a higher amount and was reduced to a lesser extent in proliferating (metastatic) cells than in differentiated (non‐cancerous, non‐metastatic) ones. These results support the promising potential of FLU in anti‐cancer therapy.
The role of forest maturity in extreme hydrological events
Authors: Belmar Oscar , Barquín José , Álvarez‐Martínez Jose Manuel , Peñas Francisco J. , Del Jesus Manuel
Published: February 2018

This study aims to clarify the influence of forests, as well as other prevalent land cover types, on extreme hydrological events through a land cover gradient design. We selected 10 catchments within a gradient of forest land cover, in which there were 15 years of simultaneous daily hydrological and meteorological data, and an additional forest descriptor, forest maturity. The study was developed in a heterogeneous region in the Cantabrian Mountains (NW Spain). This area includes different vegetation types and has a long history of human disturbance and land use change that has produced a gradient in forest cover. This study focuses on regular hydrological extremes: regular floods and low flow events. Specific objectives were to observe the relationship between land cover and extreme hydrological events, once the variance explained by precipitation was removed, and compare the effectiveness of forest coverage and maturity to predict them. Partial correlations and ordinary least square regressions were developed using hydrological indices, obtained from flow records, and hydrological parameters calculated through modelling, using the Identification of unit Hydrographs And Component flows from Rainfall, Evaporation and Streamflow data (IHACRES) software and hydrometeorological data. Land cover characteristics were better able to predict floods than low flows. Forests were associated with less extreme flow events (lower intensity and frequency of floods and greater base flows), whereas shrub formations did the opposite. These results were more evident using forest maturity than using forest coverage. This study indicates that hydrological modelling may benefit in the future from considering not only the coverage of different land cover types but also the conservation status of the different vegetation formations.