bluuebunny/crossref_metadata_2025 huggingface dataset:
Visual dynamics cues in learning complex physical interactions
Authors: Hasson Christopher J. , Jalili Paneed F.
Published: September 2019

This study investigated the role of visual dynamics cues (VDCs) in learning to interact with a complex physical system. Manual gait training was used as an exemplary case, as it requires therapists to control the non-trivial locomotor dynamics of patients. A virtual analog was developed that allowed naïve subjects to manipulate the leg of a virtual stroke survivor (a virtual patient; VP) walking on a treadmill using a small robotic manipulandum. The task was to make the VP’s leg pass through early, mid, and late swing gait targets. One group of subjects (n = 17) started practice seeing the VP’s affected thigh and shank (i.e., VDCs); a second control group (n = 16) only saw the point-of-contact (VP ankle). It was hypothesized that, if seeing the VP’s leg provides beneficial dynamics information, the VDC group would have better task performance and generalization than controls. Results were not supportive. Both groups had similar task performance, and for the late swing gait target, a decrement in manipulative accuracy was observed when VDCs were removed in a generalization task. This suggests that when learning to manipulate complex dynamics, VDCs can create a dependency that negatively affects generalization if the visual context is changed.
Inadequate Folic Acid Intake Among Women Taking Antiepileptic Drugs During Pregnancy in Japan: A Cross-Sectional Study
Authors: Ikeda-Sakai Yasuko , Saito Yoshiyuki , Obara Taku , Goto Mikako , Sengoku Tami , Takahashi Yoshimitsu , Hamada Hiromi , Nakayama Takeo , Murashima Atsuko
Published: September 2019

This study aimed to assess characteristics of pregnant women taking antiepileptic drugs with inadequate folic acid intake. This cross-sectional study examined pregnant women taking antiepileptic drugs who were registered in the Japanese Drug Information Institute in Pregnancy (JDIIP) database between October 2005 and December 2016. Participants were classified into two groups according to when they started folic acid supplementation (before pregnancy: ‘adequate’, after pregnancy or never: ‘inadequate’). Logistic regression analysis was performed to investigate factors associated with inadequate folic acid intake. Of 12,794 registrants, 468 pregnant women were taking antiepileptics during the first trimester. Of these, we analysed data from 456 women who had no missing data. As a result, inadequate folic acid intake was noted among 83.3% of them, suggesting that the current level of folic acid intake is insufficient overall. Younger age, smoking, alcohol drinking, multiparity, unplanned pregnancy, and being prescribed AEDs by paediatric or psychiatric departments were independent factors associated with inadequate folic acid intake. As unplanned pregnancy was the strongest factor, healthcare professionals should ensure that childbearing women taking antiepileptics are informed of the importance of planned pregnancy. In addition, healthcare professionals must gain a better understanding of folic acid intake, as the prevalence of adequate intake differed according to which departments prescribed antiepileptic drugs.
Conventional and organic soil management as divergent drivers of resident and active fractions of major soil food web constituents
Authors: Harkes Paula , Suleiman Afnan K. A. , van den Elsen Sven J. J. , de Haan Johannes J. , Holterman Martijn , Kuramae Eiko E. , Helder Johannes
Published: September 2019

Conventional agricultural production systems, typified by large inputs of mineral fertilizers and pesticides, reduce soil biodiversity and may negatively affect ecosystem services such as carbon fixation, nutrient cycling and disease suppressiveness. Organic soil management is thought to contribute to a more diverse and stable soil food web, but data detailing this effect are sparse and fragmented. We set out to map both the resident (rDNA) and the active (rRNA) fractions of bacterial, fungal, protozoan and metazoan communities under various soil management regimes in two distinct soil types with barley as the main crop. Contrasts between resident and active communities explained 22%, 14%, 21% and 25% of the variance within the bacterial, fungal, protozoan, and metazoan communities. As the active fractions of organismal groups define the actual ecological functioning of soils, our findings underline the relevance of characterizing both resident and active pools. All four major organismal groups were affected by soil management (p < 0.01), and most taxa showed both an increased presence and an enlarged activity under the organic regime. Hence, a prolonged organic soil management not only impacts the primary decomposers, bacteria and fungi, but also major representatives of the next trophic level, protists and metazoa.
Multi-view based integrative analysis of gene expression data for identifying biomarkers
Authors: Yang Zi-Yi , Liu Xiao-Ying , Shu Jun , Zhang Hui , Ren Yan-Qiong , Xu Zong-Ben , Liang Yong
Published: September 2019

The widespread applications in microarray technology have produced the vast quantity of publicly available gene expression datasets. However, analysis of gene expression data using biostatistics and machine learning approaches is a challenging task due to (1) high noise; (2) small sample size with high dimensionality; (3) batch effects and (4) low reproducibility of significant biomarkers. These issues reveal the complexity of gene expression data, thus significantly obstructing microarray technology in clinical applications. The integrative analysis offers an opportunity to address these issues and provides a more comprehensive understanding of the biological systems, but current methods have several limitations. This work leverages state of the art machine learning development for multiple gene expression datasets integration, classification and identification of significant biomarkers. We design a novel integrative framework, MVIAm - Multi-View based Integrative Analysis of microarray data for identifying biomarkers. It applies multiple cross-platform normalization methods to aggregate multiple datasets into a multi-view dataset and utilizes a robust learning mechanism Multi-View Self-Paced Learning (MVSPL) for gene selection in cancer classification problems. We demonstrate the capabilities of MVIAm using simulated data and studies of breast cancer and lung cancer, it can be applied flexibly and is an effective tool for facing the four challenges of gene expression data analysis. Our proposed model makes microarray integrative analysis more systematic and expands its range of applications.
Dynamics of Marine Debris Ingestion by Profitable Fishes Along The Estuarine Ecocline
Authors: Ferreira Guilherme V. B. , Barletta Mario , Lima André R. A. , Morley Simon A. , Costa Monica F.
Published: September 2019

The dynamics of microfilament (<5 mm) ingestion were evaluated in three species of snooks. The ingestion of different colours and sizes of microfilaments were strongly associated with the spatio-temporal estuarine use and ontogenetic shifts of snooks. Their feeding ecology was also analysed to assess dietary relationships with patterns of contamination. All species were highly contaminated with microfilaments. The highest ingestion of microfilaments occurred in the adults, when fishes became the main prey item and also during the peak of fishing activities, in the rainy season. This suggests that trophic transfer, in addition to periods of high availability of microfilaments are important pathways for contamination. The ingestion of microfilaments of different colours and sizes was likely influenced by input sources. Blue microfilaments were frequently ingested, and appear to have both riverine and estuarine inputs, since they were ingested in all seasons and habitats. Purple and red microfilaments were more frequently ingested in the lower estuarine habitats. The length of microfilaments was also associated with environmental variability. Longer microfilaments were ingested in habitats with greater riverine influence, the opposite was observed for shorter microfilaments. Therefore, microfilament contamination in snooks are a consequence of their ecological patterns of estuarine uses through different seasons and life history stages.
Inhibition of the glutamine transporter SNAT1 confers neuroprotection in mice by modulating the mTOR-autophagy system
Authors: Yamada Daisuke , Kawabe Kenji , Tosa Ikue , Tsukamoto Shunpei , Nakazato Ryota , Kou Miki , Fujikawa Koichi , Nakamura Saki , Ono Mitsuaki , Oohashi Toshitaka , Kaneko Mari , Go Shioi , Hinoi Eiichi , Yoneda Yukio , Takarada Takeshi
Published: September 2019

The pathophysiological role of mammalian target of rapamycin complex 1 (mTORC1) in neurodegenerative diseases is established, but possible therapeutic targets responsible for its activation in neurons must be explored. Here we identified solute carrier family 38a member 1 (SNAT1, Slc38a1) as a positive regulator of mTORC1 in neurons. Slc38a1flox/flox and Synapsin I-Cre mice were crossed to generate mutant mice in which Slc38a1 was selectively deleted in neurons. Measurement of 2,3,5-triphenyltetrazolium chloride (TTC) or the MAP2-negative area in a mouse model of middle cerebral artery occlusion (MCAO) revealed that Slc38a1 deficiency decreased infarct size. We found a transient increase in the phosphorylation of p70S6k1 (pp70S6k1) and a suppressive effect of rapamycin on infarct size in MCAO mice. Autophagy inhibitors completely mitigated the suppressive effect of SNAT1 deficiency on neuronal cell death under in vitro stroke culture conditions. These results demonstrate that SNAT1 promoted ischemic brain damage via mTOR-autophagy system.
Organometallic Chemistry in Flow in the Pharmaceutical Industry
Authors: Palao E. , Alcazar J.
Published: September 2019

Organometallic chemistry has been an important tool in the pharmaceutical sector since the 19th century. However, there are still limitations in terms of price and toxicity of the metals as well as safety concerns related to the special conditions required to handle them. Flow chemistry has appeared as a valuable tool to overcome such limitations. The current chapter will show how this new technology is helping chemist to handle this class of reagents, how new chemistries can be accessed and new reactions discovered. In this chapter it is shown how flow organometallic chemistry has proven its value within the pharmaceutical sector: From the discovery of new drugs through the accessibility of novel chemical space, to improved procedures to prepare API's improving safety and reducing associated costs.
Radical Polymerisation under Flow Conditions
Authors: Brocken Laurens , Baxendale Ian R.
Published: September 2019

Polymers are an important class of compounds used in many commercial products; for example, in the aerospace and automotive industries functioning as low weight construction parts and seals, through into the packaging of food and drink and even as aqueous soluble polymers, which are found in numerous detergents and other cleaning products. Significant research has, therefore, been invested towards the design and synthesis of new polymers using a variety of polymerisation techniques to deliver specifically tailored structures with refined macromolecular structures including tailoring parameters such as molecular weight, polydispersity and tacticity. One interesting approach, which has started to demonstrate value in the synthesis of polymers, is the conducting of polymerisation processes in a dynamic continuous flow scenario. Flow polymerisation has been shown to facilitate access to new polymers which cannot be synthesised or would be difficult to prepare under conventional batch conditions through improved control over the various reaction parameters. In this chapter, a brief selective overview is given of the various syntheses of polymers and polymeric particles that have been reported in the literature via flow processes to date.
Ionic Polymerisation and New Approaches to Polymerisation under Flow Conditions
Authors: Brocken Laurens , Baxendale Ian R.
Published: September 2019

Although ionic polymerisations are a valuable methodology historically they are less widely used because they are considered capricious, requiring significantly more optimisation due to their sensitivity to the specific reaction and processing conditions. Increasingly though flow processing regimes are being successfully implemented to allow better control over reaction parameters and facilitate a more consistent processing environment; this has also shown promising results for challenging reactions such as ionic polymerisation. Furthermore, as flow chemistry is becoming more widely implemented additional and complementary processing tools such as photochemical, supported reagents and enzymatic based plug-in reactors are being evaluated for their ability to expand the range of polymers on offer. Supplementing this era of advanced and accelerated synthesis is an explosion in direct integrated analysis routines and the development of smart self-optimising platforms capable of self-sustained assembly of new polymers. Whilst the machines have been taking over the physical synthesis, chemists have been starting to think beyond simply the isolated stage of polymer synthesis, considering options to create more encompassing work-flows. The next generations of polymer synthesis will encompass all aspects of synthesis, purification and final analysis as a single unified sequence. These new polymer products will ultimately be used for new applications such as light-emitting diodes and in photovoltaics.
New Microreactor Designs for Practical Applications Realized by Additive Manufacturing
Authors: Löb P.
Published: September 2019

Continuous processing is playing an increasing role in the development and manufacturing of pharmaceuticals and fine chemicals. Linked to this development is the interest in flow chemistry that means milli- or even microstructured reactors and their use for continuous processing. These reactors enable a precise control over the chemical process due to their small internal structuring and with that the access to unusual process conditions (Novel Process Windows). Additionally, other more operational advantages of interest for chemical production purposes are linked to the flow chemistry approach – like addressing the need for flexible and modular production concepts, the straightforward scale-up approach and the amenability to automated operation and integration of process analytical technologies. Classic unit operations like mixing and heat exchange are thereby already addressed by a range of commercially available devices. With the advent or broader uptake of additive manufacturing techniques in general, these technologies are also increasingly applied for miniaturized chemical reactors. While current examples mainly stem from lab-scale investigations, there is a clear trend and ambition towards addressing industrial application and the related harsh process conditions and higher throughput ranges. This chapter briefly recaps central aspects of flow chemistry and the related reactor technology before introducing the main additive manufacturing techniques used for the realisation of microsystems and micro- and milli-structured reactors as well as describing corresponding examples. A special focus is given thereby on selective laser melting to realize finely structured 3D chemical reactors in metal since this technique is seen as most promising for realising structured reactors against the background of industrial chemical production.
Photoswitchable phthalocyanine-assembled nanoparticles for controlled “double-lock” photodynamic therapy
Authors: Cheng Hong-Bo , Li Xingshu , Kwon Nahyun , Fang Yanyan , Baek Gain , Yoon Juyoung
Published: September 2019

A new nanoparticle platform,NanoAzoPcS, is created by co-assembly of phthalocyanine and azobenzene amphiphiles, which can be used to gain precise control of PDT simply by regulating the stoichiometric ratio of the components and using light irradiation.
Stereochemical effects on the mechanochemical scission of furan–maleimide Diels–Alder adducts
Authors: Wang Zi , Craig Stephen L.
Published: September 2019

An internal competition between mechanochemical reactions unveils the relative mechanical reactivity of furan–maleimide Diels–Alder (DA) stereoisomers.
Improved ultraviolet radiation stability of Mn2+-doped CsPbCl3 nanocrystals via B-site Sn doping
Authors: Wang Yu , Cao Sheng , Li Ji , Li Haibo , Yuan Xi , Zhao Jialong
Published: September 2019

A facile and effective B-site Sn doping strategy is used to grow Mn2+-doped CsPbCl3 (Mn:CsPbCl3) nanocrystals with enhanced ultraviolet irradiation stability and luminescence properties.
Bilayer thickness determines the alignment of model polyproline helices in lipid membranes
Authors: Kubyshkin Vladimir , Grage Stephan L. , Ulrich Anne S. , Budisa Nediljko
Published: September 2019

We describe the design and experimental observation of an entirely new transmembrane helical peptide motif.
Tandem synthesis of quinazolinone scaffolds from 2-aminobenzonitriles using aliphatic alcohol–water system
Authors: Roy Bivas Chandra , Samim Sk. Abdus , Panja Dibyajyoti , Kundu Sabuj
Published: September 2019

Functionalized bipyridine based Ru(II) complex catalyzed tandem synthesis of quinazolinones from 2-aminobenzonitriles is reported here utilizing aliphatic alcohol–water system.
Nickel-catalyzed aryl trifluoromethyl sulfide synthesis: a DFT study
Authors: Jover Jesús
Published: September 2019

A Ni(i)/Ni(iii) catalytic cycle allows aryl trifluoromethyl sulfides to be obtained at room temperature from [NMe4][SCF3] and aryl halides.
Chemoenzymatic cascade for stilbene production from cinnamic acid catalyzed by ferulic acid decarboxylase and an artificial metathease
Authors: Mertens M. A. Stephanie , Sauer Daniel F. , Markel Ulrich , Schiffels Johannes , Okuda Jun , Schwaneberg Ulrich
Published: September 2019

We report a chemoenzymatic cascade reaction for stilbene production combining decarboxylation and olefin metathesis with efficient removal of metal contamination.
Thermodynamic targeting of electrocatalytic CO2 reduction: advantages, limitations, and insights for catalyst design
Authors: Ostericher Andrew L. , Porter Tyler M. , Reineke Mark H. , Kubiak Clifford P.
Published: September 2019

Herein is reported the electrocatalytic reduction of CO2 with the complex [Ni(bis-NHC)(dmpe)]2+ (1) (bis-NHC = 1,l′:3,3′-bis(1,3-propanediyl)dibenzimidazolin-2,2′-diylidene; dmpe = 1,2-bis(dimethylphosphino)ethane).
Metabolic profiling of a polyphenolic-rich fraction of Coccinia grandis leaves using LC-ESI-MS/MS and in vivo validation of its antimicrobial and wound healing activities
Authors: Al-Madhagy Somaia A. , Mostafa Nada M. , Youssef Fadia S. , Awad Ghada E. A. , Eldahshan Omayma A. , Singab Abdel Nasser B.
Published: September 2019

A polyphenolic-rich fraction (CG50) was obtained from the methanol extract of Coccinia grandis leaves by chromatographic fractionation over a Diaion column using 50% aqueous methanol.
Dihydromyricetin inhibited ovalbumin-induced mice allergic responses by suppressing the activation of mast cells
Authors: Zhang Ya-Fen , Liu Qing-Mei , Liu Bo , Shu Zhen-Dan , Han Jing , Liu Hong , Cao Min-Jie , Yang Xian-Wen , Gu Wei , Liu Guang-Ming
Published: September 2019

Dihydromyricetin (DMY) is a natural flavonoid compound derived from Lysionotus pauciflorus Maxim and has been found to possess therapeutic potential for allergic disease induced by food allergens.
Recycling of vat and reactive dyed textile waste to new colored man-made cellulose fibers
Authors: Haslinger Simone , Wang Yingfeng , Rissanen Marja , Lossa Miriam Beatrice , Tanttu Marjaana , Ilen Elina , Määttänen Marjo , Harlin Ali , Hummel Michael , Sixta Herbert
Published: September 2019

Cotton waste dyed with different vat and reactive dyes is systematically upcycled to colored cellulose fibersviadry-jet wet spinning.
Micro-invasive depth profile analysis by laser-induced breakdown spectroscopy (LIBS): the case of mercury layers on Sasanian coins
Authors: Gaudiuso Rosalba , Uhlir Katharina , Griesser Martina
Published: September 2019

Calibration-Free Laser-Induced Breakdown Spectroscopy (LIBS) was used for depth-profile analysis of one Sasanian coin from the Kunsthistorisches Museum of Vienna, and to characterize the Hg layer covering its surface.
Photoinduced inhibition of DNA repair enzymes and the possible mechanism of photochemical transformations of the ruthenium nitrosyl complex [RuNO(β-Pic)2(NO2)2OH]
Authors: Mikhailov Artem A. , Khantakova Darya V. , Nichiporenko Vladislav A. , Glebov Evgeni M. , Grivin Vjacheslav P. , Plyusnin Victor F. , Yanshole Vadim V. , Petrova Daria V. , Kostin Gennadiy A. , Grin Inga R.
Published: September 2019

Inhibition of DNA repair enzymes by the ruthenium nitrosyl complex occurs only after light irradiation and is determined by the interactions between the enzyme and active photolysis products.
A comprehensive mechanistic model of iron metabolism inSaccharomyces cerevisiae
Authors: Lindahl Paul A.
Published: September 2019

The ironome of budding yeast (circa2019) consists of approximately 139 proteins and 5 nonproteinaceous species.
Scalable synthesis of gyroid-inspired freestanding three-dimensional graphene architectures
Authors: Garcia Adrian E. , Wang Chen Santillan , Sanderson Robert N. , McDevitt Kyle M. , Zhang Yunfei , Valdevit Lorenzo , Mumm Daniel R. , Mohraz Ali , Ragan Regina
Published: September 2019

A three-dimensional gyroid-inspired architecture composed of turbostratic graphene was fabricated using colloidal self-assembly and chemical vapor deposition.
Correction: Synthesis of nanostructured catalysts by surfactant-templating of large-pore zeolites
Authors: Al-Ani Aqeel , Haslam Josiah J. C. , Mordvinova Natalie E. , Lebedev Oleg I. , Vicente Aurélie , Fernandez Christian , Zholobenko Vladimir
Published: September 2019

Correction for ‘Synthesis of nanostructured catalysts by surfactant-templating of large-pore zeolites’ by Aqeel Al-Ani et al., Nanoscale Adv., 2019, 1, 2029–2039.
Organophilic graphene nanosheets as a promising nanofiller for bio-based polyurethane nanocomposites: investigation of the thermal, barrier and mechanical properties
Authors: Majdoub Mohammed , Essamlali Younes , Amadine Othmane , Ganetri Ikram , Zahouily Mohamed
Published: September 2019

The present study focuses on the design of new nanocomposite films using bio-based thermoplastic polyurethane (TPU) as a polymer matrix and long chain amine functionalized reduced graphene oxide (G-ODA) as a nanofiller.
Towards fast-charging technologies in Li+/Na+storage: from the perspectives of pseudocapacitive materials and non-aqueous hybrid capacitors
Authors: Huang Haijian , Niederberger Markus
Published: September 2019

Pseudocapacitive materials and non-aqueous hybrid capacitors represent promising strategies to realize fast-charging technologies. This minireview provides fundamentals and recent developments of these two growing research fields.
Characterising porosity in platinum nanoparticles
Authors: Yu Wenmiao , Batchelor-McAuley Christopher , Wang Yi-Chi , Shao Shouqi , Fairclough Simon M. , Haigh Sarah J. , Young Neil P. , Compton Richard G.
Published: September 2019

Accurately determining the morphology and hence the true surface areas of catalytic nanoparticles remains challenging.
SERS and plasmonic heating efficiency from anisotropic core/satellite superstructures
Authors: Kuttner Christian , Höller Roland P. M. , Quintanilla Marta , Schnepf Max J. , Dulle Martin , Fery Andreas , Liz-Marzán Luis M.
Published: September 2019

SERS and plasmonic heating efficiency are combined by adjusting the ratio of radiative and non-radiative properties of self-assembled anisotropic superstructures.
Plasmon-mediated discrete diffraction behaviour of an array of responsive waveguides
Authors: Pezzi Luigia , De Sio Luciano , Veltri Alessandro , Cunningham Alastair , De Luca Antonio , Büergi Thomas , Umeton Cesare , Caputo Roberto
Published: September 2019

We investigate the discrete diffraction phenomenon in a Polymer-Liquid Crystal-Polymer Slices (POLICRYPS) overlaying a random distribution of gold nanoparticles (AuNPs, plasmonic elements).
Multi-amine-assisted crystal growth of large-sized α-MoO3 elongated nano-plates
Authors: Moon Sang Hwa , Im Sang Hyuk
Published: September 2019

Large-sized α-MoO3 elongated nano-plates were synthesized by the introduction of multi-amines such as ethylene di-amine and diethylene tri-amine (DETA) in the conventional hydrothermal reaction.
A highly fluorinated SiO2 particle assembled, durable superhydrophobic and superoleophobic coating for both hard and soft materials
Authors: Li Qi , Guo Zhiguang
Published: September 2019

A series of superamphiphobic surfaces were fabricated using a versatile spray-/dip-coating approach that exhibit outstanding repellency to both water and various organic liquids with low-surface tension.
Synthesis of new cyclazines and 4,5-diaryl-1H-pyrrol-3(2H)-one units in discoipyrroles from indolizinone-DMAD cycloadducts
Authors: Kurian Jais , M. Muraleedharan Kannoth
Published: September 2019

The reaction of indolizinones with dimethyl acetylenedicarboxylate gave direct access to 3′,8a-dihydrocyclopenta[hi]indolizin-8a-ol and 1H-pyrrol-3(2H)-one in good yields.
Fe(ii)-Catalyzed azidation of polybutadienes using the Zhdankin reagent
Authors: Jung Haeji , Lim Yeong-Gweon
Published: September 2019

Phenyl-terminated polybutadienes (PtPBs) are efficiently converted to azidated PtPBs using the Zhdankin reagent generated in situ from iodosobenzoic acid and TMSN3 with an iron catalyst.
Mechanochromic composite elastomers for additive manufacturing and low strain mechanophore activation
Authors: Rohde Rachel C. , Basu Amrita , Okello Lilian B. , Barbee Meredith H. , Zhang Yudi , Velev Orlin D. , Nelson Alshakim , Craig Stephen L.
Published: September 2019

Composite silicone inks provide access to 3D-printable elastomers that are mechanochemically active at lower strains that single component analogs.
Experimental model design: exploration and optimization of customized polymerization conditions for the preparation of targeted smart materials by the Diels Alder click reaction
Authors: Iglesias Nieves , Galbis Elsa , Romero-Azogil Lucía , Benito Elena , Díaz-Blanco M.-Jesús , García-Martín M.-Gracia , de-Paz M.-Violante
Published: September 2019

The experimental model design proposed herein has proved to be an indispensable tool to rapidly and easily elucidate the optimal polymerization conditions in the preparation of tailor-made responsive materials for biomedical applications.
Acridine-based thiosemicarbazones as novel inhibitors of mild steel corrosion in 1 M HCl: synthesis, electrochemical, DFT and Monte Carlo simulation studies
Authors: Akpan Ekemini D. , Isaac Ibanga O. , Olasunkanmi Lukman O. , Ebenso Eno E. , Sherif El-Sayed M.
Published: September 2019

Three novel acridine-based thiosemicarbazones were investigated for their corrosion inhibition potentials on mild steel in 1 M HCl using combined electrochemical, DFT and Monte Carlo simulation techniques.
Electron delocalization in single-layer phthalocyanine-based covalent organic frameworks: a first principle study
Authors: Pham Hung Q. , Le Dong Q. , Pham-Tran Nguyen-Nguyen , Kawazoe Yoshiyuki , Nguyen-Manh Duc
Published: September 2019

A series of single-layer phthalocyanine-based covalent-organic frameworks (COFs) are shown to possess tunable delocalized electronic states which are attractive for optoelectronic applications.
Fabrication of thermo-sensitive lignocellulose hydrogels with switchable hydrophilicity and hydrophobicity through an SIPN strategy
Authors: Xia Jianyu , Liu Zhulan , Chen Yan , Wang Zhiguo , Cao Yunfeng
Published: September 2019

This study provides a feasible route to produce reinforced thermo-sensitive hydrogels and tailor their morphologies and absorption properties by controlling the state and content of lignin.
Investigation of the structural, electronic, and optical properties of Mn-doped CsPbCl3: theory and experiment
Authors: Pandey Nivedita , Kumar Abhishek , Chakrabarti Subhananda
Published: September 2019

Wide energy gap inorganic halide perovskites have become emerging candidates for potential applications in modern optoelectronics devices.
Reverse Monte Carlo modeling for local structures of noble metal nanoparticles using high-energy XRD and EXAFS
Authors: Harada Masafumi , Ikegami Risa , Kumara Loku Singgappulige Rosantha , Kohara Shinji , Sakata Osami
Published: September 2019

3-Dimensional atomic-scale structure of metal nanoparticles obtained by RMC-based simulations using HEXRD and EXAFS data.
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices
Authors: Hare Stephanie R. , Bratholm Lars A. , Glowacki David R. , Carpenter Barry K.
Published: September 2019

Principal Component Analysis on a series of molecular geometries (e.g., a reaction coordinate or trajectory) provides maximum structural variance in the fewest dimensions, and so can offer an objective, comprehensible depiction of the transformation.
Dynamic anti-counterfeiting security features using multicolor dianthryl sulfoxides
Authors: Yuan Jennifer , Christensen Peter R. , Wolf Michael O.
Published: September 2019

A new concept for difficult-to-replicate security inks for use in advanced anti-counterfeiting applications is presented.
Mesoscopic non-equilibrium measures can reveal intrinsic features of the active driving
Authors: Mura Federica , Gradziuk Grzegorz , Broedersz Chase P.
Published: September 2019

We show that 2-point non-equilibrium measures of fluctuating probe particles in an active system reveal features of the internal driving.
“Twisted” conjugated molecules as donor materials for efficient all-small-molecule organic solar cells processed with tetrahydrofuran
Authors: Cheng Xiafei , Li Miaomiao , Guo Ziqi , Yu Jinde , Lu Guanghao , Bu Laju , Ye Long , Ade Harald , Chen Yongsheng , Geng Yanhou
Published: September 2019

Appropriately “twisted” conjugated molecules present good solubility in non-halogenated solvents and ordered molecular packing in films.
Mitigating concentration polarization for highly reversible plating/stripping electrochemistry: Li versus Na
Authors: Tang Shuai , Zhang Xia-Guang , Cui Xue-Yang , Xu Hong-Yu , Wu De-Yin , Yan Jia-Wei , Zheng Ming-Sen , Dong Quan-Feng , Mao Bing-Wei
Published: September 2019

Li and Na metal anodes have quite different plating/stripping reversibilities in literature; here we find that weaker concentration polarization is responsible for the better reversibility of Na metal anodes than that of Li metal anodes.
Revealing the role of different nitrogen functionalities in the drug delivery performance of graphene quantum dots: a combined density functional theory and molecular dynamics approach
Authors: Vatanparast Morteza , Shariatinia Zahra
Published: September 2019

The role of different N-functionalities was investigated on the drug delivery performance of N-GQDs. Results suggested that the center N-GQD had a better performance than the pristine and edge N-GQDs.
Bioactive lipids in intervertebral disc degeneration and its therapeutic implications
Authors: Das Undurti N.
Published: September 2019

Intervertebral disc (IVD) degeneration is not uncommon. It is estimated that approximately >60% of individuals above the age of 40 years suffer from IVD degeneration. Shan et al. showed that hyperglycemia can enhance apoptosis of anulus fibrosis cells in a JNK pathway and p38 mitogen-activated protein kinase (MAPK) pathway dependent fashion. Recent studies showed that IVD degeneration could be an inflammatory condition characterized by increased production of matrix metalloproteinases, TNF-α, nitric oxide, IL-6, IL-17, IL-9, and prostaglandin E2, and decreased formation of anti-inflammatory molecules such as lipoxin A4. This imbalance between pro- and anti-inflammatory molecules seem to activate JNK pathway and p38 MAPK pathway to induce apoptosis of anulus fibrosis and nucleus pulposus cells. The activation of production of PGE2 (due to activation of COX-2 pathway) seems to be dependent on p38/c-Fos and JNK/c-Jun activation in an AP-1-dependent manner. These results imply that suppressing pro-inflammatory events in the disc by either augmenting anti-inflammatory events or suppressing production of pro-inflammatory molecules or both may form a logical step in the prevention and management of IVD degeneration.
La phagocytose associée à LC3 (LAP)
Authors: Galais Mathilde , Pradel Baptiste , Vergne Isabelle , Robert-Hebmann Véronique , Espert Lucile , Biard-Piechaczyk Martine
Published: September 2019

Phagocytose et macroautophagie, appelée ici autophagie, sont deux mécanismes essentiels de dégradation lysosomale de divers cargos englobés dans des structures membranaires. Ils sont tous deux impliqués dans la régulation du système immunitaire et la survie cellulaire. Cependant, la phagocytose permet l’ingestion de matériel extracellulaire alors que l’autophagie dégrade des composants intra-cytoplasmiques, avec des mécanismes d’activation et de maturation différents. La LAP (LC3-associated phagocytosis) est une forme particulière de phagocytose qui utilise certains éléments de l’autophagie. Elle permet l’élimination de pathogènes, de complexes immuns, de cellules avoisinantes, mortes ou vivantes, constituant un danger pour l’organisme, et de débris cellulaires, tels que les segments externes des photorécepteurs (POS, photoreceptor outer segment), ou la pièce centrale du pont intercellulaire produit en fin de mitose. Les cellules ont ainsi « optimisé » leurs moyens d’éliminer les composés potentiellement dangereux en partageant certains éléments essentiels des deux voies de dégradation lysosomale.
Les études portant sur les bases de données médico-administratives sont-elles reproductibles ?
Authors: Looten Vincent
Published: September 2019

La reproductibilité méthodologique fait référence à la capacité à obtenir exactement les mêmes résultats, en reproduisant le même protocole d’étude sur les mêmes données. Nous avons voulu évaluer la reproductibilité méthodologique des études publiées entre 2008 et 2017 dans la Revue d’épidémiologie et de santé publique, qui font appel à des données issues du système national des données de santé. Nos résultats suggèrent que seules 49 % des études portant sur ce système national pourraient être reproduites sans le recours aux auteurs initiaux. L’absence de partage systématique des programmes peut révéler un manque de préoccupation quant à la finalité de la recherche en santé publique. Il est difficile d’attribuer la responsabilité de ce manque de reproductibilité aux seuls chercheurs, et nous faisons donc l’hypothèse d’une inconduite éthique instituée.
Magnetic Resonance Imaging in Pelvic Fractures – Part 1: Which Criteria Lead Us to Supplementary MRI Diagnostics?
Authors: Lang Patricia , Merz Charlotte , Hackenbroch Carsten , Friemert Benedikt , Stuby Fabian , Palm Hans-Georg ,   AG Becken III der DGU®
Published: September 2019

Introduction Isolated pelvic fractures are relatively rare with an incidence of 3 – 6% of all fractures, but their incidence in polytraumatized individuals increases to 25%. The S3 guideline Polytrauma gives a clear recommendation for diagnostics by means of pelvic radiography (X-ray) and computed tomography (CT). A recommendation for the diagnosis by means of magnetic resonance tomography (MRI) especially in patients with low energetic/missing trauma does not currently exist. It is unclear on the basis of which criteria the MRI can be indicated in pelvic fractures. The aim of our study was therefore to retrospectively record indications for the indication of MRI in pelvic fractures – with adequate as well as inadequate trauma.

Material and Methods In a retrospective clinical study, a total of 140 patients (median 68 years, range 15 – 97, 75 female, and 66 male) with a pelvic fracture were included in the study over a period of three years. Overall, the trauma mechanism revealed 73 adequate and 67 inadequate fractures. 31/140 patients had undergone MRI of the pelvis in addition to a CT/X-ray scan. The two subgroups “with MRI” and “without MRI” were analyzed with regard to the parameters “sex”, “age”, “adequacy of the trauma”, “fracture localization”, “duration of admission to imaging”, “type of therapy” and “duration to surgery” compared.

Results It was shown that the MRI diagnosis was performed especially in female, elderly patients (81 years, range 19 – 94 years). Patients with inappropriate trauma have received MRI more frequently (74%) than patients with adequate trauma (26%). With regard to fracture localization no differences could be shown. The MRI was performed on a median 4 days after the CT examination. Regarding the decision “conservative” vs. “operationally” our two groups without and with MRT tended to differ not. Patients with MRI were operated on median 2 days later than patients who did not receive MRI.

Conclusions Pelvic fracture MRI should be performed primarily in elderly female patients without adequate trauma. In patients with adequate trauma, MRI is of low value, especially as MRI diagnostics are performed with delay, resulting in later surgery.
Neurotuberculosis: A Clinical Review
Authors: Chin Jerome H.
Published: September 2019

In September 2018, the United Nations General Assembly held the first ever meeting to discuss the global epidemic of tuberculosis (TB) and adopted a political declaration titled “United to end tuberculosis: an urgent global response to a global epidemic.” The timing of the meeting was prescient but overdue since Mycobacterium tuberculosis surpassed the human immunodeficiency virus as the world's leading infectious killer in 2014. Infection of the central nervous system by Mycobacterium tuberculosis, herein referred to as neurotuberculosis, is the most feared and dangerous form of tuberculosis, requiring a high level of suspicion and clinical experience for prompt diagnosis and treatment. Neurologists, infectious disease specialists, orthopedic surgeons, neurosurgeons, and hospitalists in all countries need to recognize the spectrum of neurotuberculosis and be able to integrate clinical information, laboratory data, and radiological findings to make a diagnosis with or without microbiological confirmation.
Prion Disease
Authors: Baldwin Kelly J. , Correll Cynthia M.
Published: September 2019

Prion diseases are a phenotypically diverse set of disorders characterized by protease-resistant abnormally shaped proteins known as prions. There are three main groups of prion diseases, termed sporadic (Creutzfeldt–Jakob disease [CJD], sporadic fatal insomnia, and variably protease-sensitive prionopathy), genetic (genetic CJD, fatal familial insomnia, and Gerstmann–Straussler–Scheinker syndrome), and acquired (kuru, variant CJD, and iatrogenic CJD). This article will review the pathophysiology, genetics, clinical presentations, and diagnostic challenges in patients with prion disease. Case discussions, images, and tables will be used to highlight important characteristics of prion disease and prion mimics.
Neurological Complications of Endocarditis: A Multidisciplinary Review with Focus on Surgical Decision Making
Authors: Carneiro Thiago Santos , Awtry Eric , Dobrilovic Nikola , Fagan Maura A. , Kimmel Simeon , Weinstein Zoe M. , Cervantes-Arslanian Anna M.
Published: September 2019

Infective endocarditis (IE) is a systemic disease with many potential neurologic manifestations including ischemic and hemorrhagic strokes, cerebral microbleeding, infectious intracranial aneurysms, meningitis, brain abscesses, and encephalopathy. The majority of left-sided (heart) IE patients have brain lesions that may alter management decisions, warranting the systematic use of magnetic resonance imaging. Many patients require surgical treatment of valvular disease, and central nervous system lesions weigh into decision making. Data regarding the timing of surgery are conflicting, but earlier surgery appears to be safe in most ischemic strokes, while ideally surgery should be delayed for 3 to 4 weeks in patients with hemorrhagic strokes. IE requires a multidisciplinary team to collaboratively care for the patient. In this article, we review the current understanding and management of the neurological complications of IE and their impact on the performance and timing of cardiac surgery.
A Novel Technique for Transpalatal Hypophysectomy
Authors: Shinzato Ilton Guenhiti , de Almeida Guardini Felipe Bouchabki , de Abreu Cavalcanti Herbert , Scopel Tiago Fernando , Kobayashi Fernando , Costa Anselmo , Moreira Yamamura Igor Issao , Feltrin Eurico Ribeiro , de Andrade Bruno Martins Ferreira , Ennes Franklin Marques , Silva Anderson Alves , de Oliveira e Silva Tiago Andrade , de Freitas Junior Antonio Martins , de Souza Junior Adalberto Santiago , Marcato Danilo Horta , Cunha Lucas Rasi , Mendes Neide Trindade , Vargas Kleber Soline Monteiro
Published: September 2019

Objective A novel technique is described for transpalatal hypophysectomy as an option for sellar region surgery using a microscope and/or endoscope.

Technique A straight submucosal tunnel (approximately 20 mm in diameter; 40–50 mm long—half the length required by conventional transsphenoidal hypophysectomy) is dissected in favorable alignment with the main tumor axis, providing a direct view that allows the surgeon to operate on large suprasellar tumors, even in cases of extra-axial expansion.

Results In a 25-year period, over 50 patients benefited from this surgery. Macroadenomas devoid of extra-axial expansions were totally excised (76.5%), otherwise, partially (23.5%). Forty-nine patients (98%) were extubated soon after surgery. Mean surgery duration was 3 hour 32 minute, with 2 days 6 hour before free feeding was restored. Postoperative hospitalization under neurosurgical care averaged 6 days 6 hour. Currently, patients undergoing the procedure do not require nasal tampons and can eat soft foods soon after recovery from anesthesia. Although two patients (3.9%) presented with oronasal fistulae postoperatively, no episodes of severe hemorrhage occurred during surgery and there were no cases of liquoric fistulae, visual impairment, panhypopituitarism, or severe syndrome of inappropriate antidiuretic hormone secretion.

Conclusion The new surgical approach is safe, effective, and well accepted by patients, who reported low levels of discomfort. Postsurgical complications or sequela are currently rare, but further operations should be performed using more appropriate materials, instruments, and equipment to allow comparisons with other techniques.
A Prospective Evaluation of Swallowing and Speech in Patients with Neurofibromatosis Type 2
Authors: Rajendran Sibi , Antonios Joseph , Solomon Beth , Kim H. Jeffrey , Wu Tianxia , Smirniotopoulos James , Scott Gretchen , Benzo Sarah , Hayes Christina , Heiss John D. , Chittiboina Prashant
Published: September 2019

Objective Neurofibromatosis type 2 (NF2) patients report that swallowing and speech problems significantly affect their quality of life, but the etiology of these phenomena is poorly understood. Swallowing and speech deficits may arise due to the neuropathy of involved nerves, due to posterior fossa tumor growth, or as iatrogenic effects from neurosurgical procedures to remove these tumors. This study aims to identify the natural history of swallowing and speech deficits in an NF2 cohort and to characterize the factors that may lead to those deficits.

Methods Subjects (n = 168) were enrolled in a prospective, longitudinal study of NF2 with yearly imaging and clinical exams. The patients completed a self-reported questionnaire that included responses regarding subjective swallowing and speech dysfunction. A formal speech-language pathology evaluation and modified barium swallow (MBS) study (reported as American Speech-Language Hearing Association [ASHA] swallowing independency score from 1 through 7) was obtained when a speech/swallowing deficit was reported on the questionnaire.

Results Of the 168 enrolled subjects, 55 (33%, median age = 31 years) reported subjective speech and/or swallowing deficits. These patients underwent one (n = 37) or multiple (n = 18) MBS studies during 44.8 ± 10.4 months follow-up. During MBS, a majority demonstrated near-normal swallowing (ASHA score >6, 82%), and no evidence of aspiration (aspiration/laryngeal penetration score = 1, 96%). Prior to initial MBS consultation, 38 (69%) patients had undergone relevant neurosurgical procedures. In those with recent (<1 week) posterior fossa surgery (n = 12), 2 (17%) patients had severe dysphagia and high aspiration risk on postoperative MBS. Both of these patients recovered to functionally independent swallowing status. Unilateral (n = 10) or bilateral (n = 6) tongue deficits unrelated to previous history suggestive of hypoglossal nerve injury were detected on clinical examination. There was a correlation between the presence of dysarthria and tongue deficits and tumors associated with the hypoglossal canal noted on imaging.

Conclusion A large proportion of patients with NF2 report speech and swallow deficits that are not evident on objective measurements. We also found hypoglossal neuropathy unrelated to prior surgical interventions. Our findings suggest that swallowing and speech problems in NF2 are associated with lower cranial nerve neuropathy, some due to compressive effects of posterior fossa tumors. Adaptation over the course of the disease allows for the compensation of these deficits and subsequent normal findings on objective testing.
Front dynamics in exchange flow of two immiscible iso-viscous fluids in two-dimensional straight and curved plane channels
Authors: Yavari Mohammadreza , Bazargan Majid , Kazemi Nasim , Bagherizadeh Elaheh , Estevadeordal Jordi
Published: September 2019

Exchange flow of two immiscible fluids at a low Atwood number in a straight and curved plane channel is considered in this analytical study. The fluids are considered immiscible, but practically, the results can be applied to miscible fluids for short times and in nearly horizontal channels where mixing is negligible due to strong segregation. The exchange flow and displacement flow in pipes at different inclinations with respect to vertical have been extensively studied and have many applications in industry or environmental settings. For the case of plane two-dimensional channels, however, because of the simpler geometry, it is more convenient to understand the physics of the problem and formulate the physical phenomena mathematically. An equation has been derived that describes the transient front velocity in exchange flow in a straight plane channel. The steady state front velocity in straight channels is estimated. The exchange flow in curved channels demonstrates an unstable front or a separated trail because of the curvature of the path. In the case of curved channels, some of the general behavior of the interface is predicted and validated against some experimental observations in curved pipes but quantitative analysis of the interface and the flow requires more advanced mathematical formulation and more detailed experiments for validation.
Atomically resolved domain boundary structure in lead zirconate-based antiferroelectrics
Authors: Ma Tao , Fan Zhongming , Tan Xiaoli , Zhou Lin
Published: September 2019

Domain boundary (DB) structures are of great importance for understanding the structure-property relationship in many ferroic crystals. Here, we present atomically resolved DB configurations in PbZrO3-based antiferroelectric ceramics. The Pb-cation displacement relative to B-site cations is precisely determined using aberration-corrected scanning transmission electron microscopy. We find that 90° DBs in undoped PbZrO3 can be as thin as one primitive cell of the perovskite structure, often appearing curved or zigzagged due to the complex dipole arrangement. In a chemically modified composition, Pb0.99Nb0.02[(Zr0.57Sn0.43)0.95Ti0.05]0.98O3, in which incommensurate modulations are present, the DB has a typical thickness of at least two primitive cells, with more or less aligned dipole moments. Our findings provide insights into establishing the structure-property relationship in antiferroelectrics, shedding light on the design and fabrication of domain-boundary electronics.