bluuebunny/crossref_metadata_2025 huggingface dataset:
Heterogeneous Chitosan@Copper(II)‐Catalyzed Remote Trifluoromethylation of Aminoquinolines with the Langlois Reagent by Radical Cross‐Coupling
Authors: Shen Chao , Xu Jun , Ying Beibei , Zhang Pengfei
Published: October 2016

The first remote C−H trifluoromethylation of N‐(quinolin‐8‐yl)benzamide derivatives was accomplished with a user‐friendly chitosan‐based heterogeneous copper catalyst under mild conditions. The position‐selective C−H activation protocol afforded the corresponding coupling products in good to excellent yields with excellent reusability of the catalyst by using the low‐costing and stable Langlois reagent (CF3SO2Na) as the “CF3” source. Furthermore, control experiments suggested a single‐electron‐transfer process played a vital role in the heterogeneous C−CF3 cross‐coupling.
Electrochemical Effects at Surfactant–Platinum Nanoparticle Interfaces Boost Catalytic Performance
Authors: Almora‐Barrios Neyvis , Vilé Gianvito , Garcia‐Ratés Miquel , Pérez‐Ramírez Javier , López Núria
Published: October 2016

Nanoparticles are applied in a variety of industrially relevant transformations as heterogeneous catalysts typically with the help of an external force (pressure, temperature, or voltage) to steer the chemistry. The modification of platinum nanoparticles by a phosphate–amino surfactant enables catalysis without external energy supply in the hydrogenation of nitrobenzene to aniline. This can be attributed to the complex surfactant/metal interface which is able to split hydrogen into protons and electrons. The subsequent hydrogenation process mimics the electrochemical reduction described by Haber. The surfactant decorated Pt catalyst is two orders of magnitude more active than the state‐of‐the‐art Pb‐poisoned Pt catalyst. Our study provides a new approach to understand the functionality of emerging catalytic systems and can be applied to design new materials with optimal interfaces.
Electrochemical Control of Calcium Carbonate Crystallization and Dissolution in Nanopipettes
Authors: Perry David , Parker Alexander S. , Page Ashley , Unwin Patrick R.
Published: October 2016

Electrochemically controlled nanopipettes are becoming increasingly versatile tools for a diverse range of sequencing, sizing, and imaging applications. Herein, the use of nanopipettes to induce and quantitatively monitor crystallization and dissolution in real time is considered, using CaCO3 in aqueous solution as an exemplar system. The bias between a quasi‐reference counter electrode in a nanopipette and one in a bulk solution is used to mix (or de‐mix) two different solutions by ion migration and drive either growth or dissolution, depending on the polarity. Furthermore, Raman spectroscopy can be applied simultaneously to identify polymorphs formed in the nanopipette. The technique is supported with a robust finite element method model that allows the extraction of time‐dependent saturation levels and mixing characteristics at the nanoscale. The technique shows great promise as a tool for rapidly screening growth additives and inhibitors, allowing eight different additives to be ranked in order of efficacy for crystal growth rate inhibition.
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum
Authors: Padula Daniele , Jurinovich Sandro , Di Bari Lorenzo , Mennucci Benedetta
Published: October 2016

We present a quantum mechanical (QM) simulation of the electronic circular dichroism (ECD) of nucleic acids (NAs). The simulation combines classical molecular dynamics, to obtain the structure and its temperature‐dependent fluctuations, with a QM excitonic model to determine the ECD. The excitonic model takes into account environmental effects through a polarizable embedding and uses a refined approach to calculate the electronic couplings in terms of full transition densities. Three NAs with either similar conformations but different base sequences or similar base sequences but different conformations have been investigated and the results were compared with experimental observations; a good agreement was seen in all cases. A detailed analysis of the nature of the ECD bands in terms of their excitonic composition was also carried out. Finally, a comparison between the QM and the DeVoe models clearly revealed the importance of including fluctuations of the excitonic parameters and of accurately determining the electronic couplings. This study demonstrates the feasibility of the ab initio simulation of the ECD spectra of NAs, that is, without the need of experimental structural or electronic data.
Imidazole‐Aided Native Chemical Ligation: Imidazole as a One‐Pot Desulfurization‐Amenable Non‐Thiol‐Type Alternative to 4‐Mercaptophenylacetic Acid
Authors: Sakamoto Ken , Tsuda Shugo , Mochizuki Masayoshi , Nohara Yukie , Nishio Hideki , Yoshiya Taku
Published: October 2016

Various bioactive proteins have been synthesized by native chemical ligation (NCL) and its combination with subsequent desulfurization (e.g., conversion from Cys to Ala). In NCL, excess 4‐mercaptophenylacetic acid (MPAA) is generally added to facilitate the reaction. However, co‐elution of MPAA with the ligation product during preparative high‐performance liquid chromatography sometimes reduces its usefulness. In addition, contamination of MPAA disturbs subsequent desulfurization. Here, we report for the first time that imidazole can be adopted as an alternative to MPAA in NCL using a peptide‐alkylthioester. The efficiency of the imidazole‐aided NCL (Im‐NCL) is similar to that of traditional MPAA‐aided NCL. As model cases, we successfully synthesized adiponectin(19‐107) and [Ser(PO3H2)65]‐ubiquitin using Im‐NCL with a one‐pot desulfurization.
Wie ist der Mond entstanden?
Authors: Reusch Nicola
Published: October 2016

Zwar blicken Astronomen mit ihren Teleskopen viele Millionen Lichtjahre weit ins Universum, doch selbst der uns am nächsten stehende Himmelskörper, der Mond, birgt immer noch Rätsel – zum Beispiel, wie und wann er eigentlich entstanden ist.
Targeting a Targeted Drug: An Approach Toward Hypoxia‐Activatable Tyrosine Kinase Inhibitor Prodrugs
Authors: Karnthaler‐Benbakka Claudia , Groza Diana , Koblmüller Bettina , Terenzi Alessio , Holste Katharina , Haider Melanie , Baier Dina , Berger Walter , Heffeter Petra , Kowol Christian R. , Keppler Bernhard K.
Published: October 2016

Tyrosine kinase inhibitors (TKIs), which have revolutionized cancer therapy over the past 15 years, are limited in their clinical application due to serious side effects. Therefore, we converted two approved TKIs (sunitinib and erlotinib) into 2‐nitroimidazole‐based hypoxia‐activatable prodrugs. Kinetics studies showed very different stabilities over 24 h; however, fast reductive activation via E. coli nitroreductase could be confirmed for both panels. The anticancer activity and signaling inhibition of the compounds against various human cancer cell lines were evaluated in cell culture. These data, together with molecular docking simulations, revealed distinct differences in the impact of structural modifications on drug binding to the enzymes: whereas the catalytic pocket of the epidermal growth factor receptor (EGFR) accepted all new erlotinib derivatives, the vascular endothelial growth factor receptor (VEGFR)‐inhibitory potential in the case of the sunitinib prodrugs was dramatically diminished by derivatization. In line, hypoxia dependency of ERK signaling inhibition was observed with the sunitinib prodrugs, while oxygen levels had no impact on the activity of the erlotinib derivatives. Overall, proof of principle could be shown for this concept, and the results obtained are an important basis for the future development of tyrosine kinase inhibitor prodrugs.
Cymantrene, Cyrhetrene and Ferrocene Nucleobase Conjugates: Synthesis, Structure, Computational Study, Electrochemistry and Antitrypanosomal Activity
Authors: Kowalski Konrad , Szczupak Łukasz , Saloman Sebastian , Steverding Dietmar , Jabłoński Artur , Vrček Valerije , Hildebrandt Alexander , Lang Heinrich , Rybarczyk‐Pirek Agnieszka
Published: October 2016

A series of 11 cymantrene and cyrhetrene nucleobase conjugates, together with the hitherto unreported N7 isomer of a ferrocene–adenine conjugate were synthesised and characterised. The synthetic approach involved a Michael addition reaction of in‐situ‐generated acryloylcymantrene, acryloylcyrhetrene and acryloylferrocene with the canonical nucleobases thymine, uracil and adenine. The mechanism of these reactions was investigated by means of density functional theory calculations. The products were characterised by spectroscopic and electrochemical methods. The molecular structure of one cymantrene–adenine conjugate in the solid state was determined by single‐crystal X‐ray structure analysis, confirming the N9‐substitution of the adenine moiety. It was found that the molecule adopts a bent conformation with the adenine and cyclopentadienyl planes in almost perpendicular orientation. The cymantrenyl nucleobases showed an irreversible redox behaviour, which is associated with ligand‐exchange reactions of the radical cationic species. The newly synthesised compounds were also tested for their activity against the protozoan parasite Trypanosoma brucei and human myeloid leukaemia HL‐60 cells. Some compounds showed promising antitrypanosomal activity, and most of them were non‐toxic to HL‐60 cells. It was also found that cymantrene and cyrhetrene ketone nucleobases were more active than their alcohol congeners. These findings indicate the potential of cymantrenyl and cyrhetrenyl nucleobase conjugates as possible lead compounds for future antitrypanosomal drug development.
Organ Chips: Quality Assurance Systems in Regenerative Medicine
Authors: Pasqualini FS , Emmert MY , Parker KK , Hoerstrup SP
Published: October 2016

A class of novel therapies leverages regenerative cell types in disease microenvironments. This complex interplay challenges established good manufacturing practices, as standards and analytical tools to measure regenerative potency are missing. That is, we can build the product right, but we do not know if we are building the right product. Here, we suggest that organ‐chips, biomimetic in vitro phenotyping platforms, can serve as key quality assurance systems in regenerative medicine.
Repurposing Drugs for Cognition in Schizophrenia
Authors: Yang YS , Marder SR , Green MF
Published: October 2016

Currently approved treatments for schizophrenia only minimally affect the cognitive features of the illness that are the most closely related to disability. Hence, there is now considerable effort to repurpose drugs for schizophrenia, and to seek agents that can improve cognition by targeting receptor systems other than the dopaminergic system. The results of these studies have been mixed thus far; however, this continues to be a high‐priority area of schizophrenia research and an important unmet need.
Enzymatic Kinetic Resolution of Secondary Alcohols Using an Ionic Anhydride Generated In Situ
Authors: Rocha Ângelo , Teixeira Raquel , Lourenço Nuno M. T. , Afonso Carlos A. M.
Published: October 2016

We developed a method for the resolution of secondary alcohols using an ionic anhydride acylating agent prepared directly in the reaction medium containing the biocatalyst Candida antarctica lipase B (CALB). NMR studies showed that mixing all components at the same time does not interfere with the coupling reaction or the enzymatic activity. After optimization of the reaction conditions, the method allowed the resolution of a number of substrates in very high conversions (46–48 %) and enantiomeric ratios (E>170) along with an easy recovery of both enantiomers without the need for preparative chromatographic separation. Additionally, both the starting ionic acid and the biocatalyst could be recovered and reused up to nine cycles without significant loss of enantioselectivity.
Faith as a Cultural Variable: Implications for Counselor Training
Authors: Scott Stephanie K. , Sheperis Donna S. , Simmons Robyn Trippany , Rush‐Wilson Tiffany , Milo Lori A.
Published: October 2016

Counselors are faced with a unique challenge when faith is a prominent clinical variable. Although faith is deemed relevant, counselors may not feel comfortable approaching the subject of faith with clients. Participants in this study were practicing counselors licensed in their respective states; each was also a current doctoral candidate in counselor education and supervision. A scenario involving a complex interaction of faith; family systems; and lesbian, gay, bisexual, and transgender issues in clinical practice was provided. Participants were found to be more likely to value the importance of addressing faith in sessions than they were to actually use faith as an intervention.
The common marmoset: An overview of its natural history, ecology and behavior
Authors: Schiel Nicola , Souto Antonio
Published: October 2016

Callithrix jacchusare small‐bodied Neotropical primates popularly known as common marmosets. They are endemic to Northeast Brazil and occur in contrasting environments such as the humid Atlantic Forest and the dry scrub forest of the Caatinga. Common marmosets live in social groups, usually containing only one breeding pair. These primates have a parental care system in which individuals help by providing assistance to the infants even when they are not related to them. Free‐ranging groups use relatively small home ranges (0.5–5 hectares) and have an omnivorous diet. Because of the shape of their teeth, they actively gouge tree bark to extract and consume exudates. When foraging for live prey, they adjust their strategy according to the type of prey. The successful use of appropriate hunting strategies depends not only on age but also on prey type and seems to be mediated by learning and experience. Indeed, common marmosets have shown unexpected cognitive abilities, such as true imitation. All these aspects seem to have contributed to the ecological success of this species.Callithrix jacchushas been widely studied, especially in captivity; even so, a number of questions remain to be answered about its biology, ecology, and behavior, both in captivity and the wild. A richer understanding of marmosets' natural behavior and ecology can have a significant impact on shaping ongoing and future neuroscience research. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 244–262, 2017
Fitness of natural willow hybrids in a pioneer mosaic hybrid zone
Authors: Gramlich Susanne , Hörandl Elvira
Published: October 2016

Hybrid fitness is an important parameter to predict the evolutionary consequences of a hybridization event and to characterize hybrid zones. We studied fitness parameters of F1and later‐generation hybrids between the lowland speciesSalix purpureaand the alpineS. helveticathat have recently emerged during colonization of an alpine glacier forefield. Fruit production (number of capsules per catkin and fruit set) did not differ between hybrids and parents, but the number of seeds per capsule of F1hybrids was slightly lower than that of later‐generation hybrids and of the parents. Germination rates and seedling growth were tested on three substrates (pH4.5, 7.0, and 8.0). Germination rates of seeds collected from F1hybrids were lower on acid and neutral substrates, but equal atpH8.0 compared to all other groups, while the seeds from later‐generation hybrids performed as well as the parents on all three substrates. In seedling growth, the colonizerS. purpureaperformed better than all other taxa on all three substrates, while hybrids resembled the subalpine speciesS. helvetica. Results suggest that endogenous selection acts against F1hybrids, but favors fitter genotypes in later‐generation hybrids. Exogenous selection via soilpHappears to be weak during seedling establishment. The pioneer vegetation on the glacier forefield may offer sufficient niche space for hybrid seedlings. Owing to the relatively high fitness of the hybrids and the scattered distribution of hybrids and parental individuals on the glacier forefield, this hybrid zone can be assigned to a mosaic model, probably facilitating gene flow and introgression between the parental species. As establishment of the hybrid zone appears to be linked to a colonization process, we propose to call it a pioneer mosaic hybrid zone.
Multiple generalist morphs of Lake Trout: Avoiding constraints on the evolution of intraspecific divergence?
Authors: Chavarie Louise , Harford William J. , Howland Kimberly L. , Fitzsimons John , Muir Andrew M. , Krueger Charles C. , Tonn William M.
Published: October 2016

A generalist strategy, as an adaptation to environmental heterogeneity, is common in Arctic freshwater systems, often accompanied, however, by intraspecific divergence that promotes specialization in niche use. To better understand how resources may be partitioned in a northern system that supports intraspecific diversity of Lake Trout, trophic niches were compared among four shallow‐water morphotypes in Great Bear Lake (N65° 56′ 39″, W120° 50′ 59″). Bayesian mixing model analyses of stable isotopes of carbon and nitrogen were conducted on adult Lake Trout. Major niche overlap in resource use among four Lake Trout morphotypes was found within littoral and pelagic zones, which raises the question of how such polymorphism can be sustained among opportunistic generalist morphotypes. Covariances of our morphological datasets were tested against δ13C and δ15N values. Patterns among morphotypes were mainly observed for δ15N. This link between ecological and morphological differentiation suggested that selection pressure(s) operate at the trophic level (δ15N), independent of habitat, rather than along the habitat‐foraging opportunity axis (δ13C). The spatial and temporal variability of resources in Arctic lakes, such as Great Bear Lake, may have favored the presence of multiple generalists showing different degrees of omnivory along a weak benthic–pelagic gradient. Morphs 1–3 had more generalist feeding habits using both benthic and pelagic habitats than Morph 4, which was a top‐predator specialist in the pelagic habitat. Evidence for frequent cannibalism in Great Bear Lake was found across all four morphotypes and may also contribute to polymorphism. We suggest that the multiple generalist morphs described here from Great Bear Lake are a unique expression of diversity due to the presumed constraints on the evolution of generalists and contrast with the development of multiple specialists, the standard response to intraspecific divergence.
Estimators for QST and coalescence times
Authors: Weaver Timothy D.
Published: October 2016

Comparisons of to can provide insights into the evolutionary processes that lead to differentiation, or lack thereof, among the phenotypes of different groups (e.g., populations, species), and these comparisons have been performed on a variety of taxa, including humans. Here, I show that for neutrally evolving (i.e., by genetic drift, mutation, and gene flow alone) quantitative characters, the two commonly used estimators have somewhat different interpretations in terms of coalescence times, particularly when the number of groups that have been sampled is small. A similar situation occurs for estimators. Consequently, when observations come from only a small number of groups, which is not an unusual situation, it is important to match estimators appropriately when comparing to .
Seed bank and big sagebrush plant community composition in a range margin for big sagebrush
Authors: Martyn Trace E. , Bradford John B. , Schlaepfer Daniel R. , Burke Ingrid C. , Lauenroth William K.
Published: October 2016

The potential influence of seed bank composition on range shifts of species due to climate change is unclear. Seed banks can provide a means of both species persistence in an area and local range expansion in the case of increasing habitat suitability, as may occur under future climate change. However, a mismatch between the seed bank and the established plant community may represent an obstacle to persistence and expansion. In big sagebrush (Artemisia tridentata) plant communities in Montana, USA, we compared the seed bank to the established plant community. There was less than a 20% similarity in the relative abundance of species between the established plant community and the seed bank. This difference was primarily driven by an overrepresentation of native annual forbs and an underrepresentation of big sagebrush in the seed bank compared to the established plant community. Even though we expect an increase in habitat suitability for big sagebrush under future climate conditions at our sites, the current mismatch between the plant community and the seed bank could impede big sagebrush range expansion into increasingly suitable habitat in the future.
The demography of tree species response to climate: sapling and canopy tree growth
Authors: Canham Charles D. , Murphy Lora
Published: October 2016

Despite the clear need to predict the effects of climate change on the distribution and abundance of temperate tree species, there is still only a rudimentary understanding of how climate influences key demographic processes that determine the current distribution and abundance of tree species. We use data from the U.S. Forest Service Forest Inventory and Analysis (FIA) program to quantify the relationships between two key climate variables—mean annual temperature and effective growing season precipitation—and rates of sapling and canopy tree growth for the 50 most common tree species in the eastern United States. Our models include the effects of tree size, competition, and anthropogenic nitrogen (N) deposition, both to avoid confounding effects and to provide context for the importance of variation in climate relative to other factors known to influence tree growth. The 50 species show a broad range of relationships between size and growth, in contrast to predictions of metabolic theory. The 50 species differ widely in shade tolerance, and both saplings and canopy trees show a wide range of competitive responses to total stand basal area. The competitive responses of canopy trees were more sensitive than were saplings to the size of an individual relative to the median size of trees in the stand. As has been shown in other studies with FIA data, species responses to N deposition also varied widely and were related to the type of mycorrhizal association of the tree species. Relationships between the two climate variables and tree growth were surprisingly modest, and bore little obvious relationship to the distributions of the species along climate gradients. For over a quarter of the species, there was no statistical support for a relationship between 5‐yr average growing season precipitation and 5‐yr average growth, and for most of the remaining species, the relationship was effectively flat over a wide range of precipitation. Responses to regional variation in mean annual temperature were stronger, but again showed little obvious correlation with the distribution of abundance of most species along the temperature gradient.
Impaired hepato‐renal function defined by the MELD XI score as prognosticator in acute heart failure
Authors: Biegus Jan , Zymliński Robert , Sokolski Mateusz , Siwołowski Paweł , Gajewski Piotr , Nawrocka‐Millward Sylwia , Poniewierka Elżbieta , Jankowska Ewa A. , Banasiak Waldemar , Ponikowski Piotr
Published: October 2016

Aim

Multi‐organ dysfunction often complicates the natural course of acute heart failure (AHF) and identifies patients with poor prognosis. The MELD score (Model of End‐Stage Liver Dysfunction) combines data reflecting liver and kidney function, which makes it a potentially useful tool for the assessment of patients with AHF. The aim of this study was to assess the prognostic utility of the MELD score in patients with AHF.

Methods and results

The MELD score was calculated on admission and during hospital stay (days 2–3) using a formula that does not take into account the international normalized ratio (MELD XI). The study population consisted of 203 AHF patients (mean age 65 ± 12 years, 76% male). The mean MELD XI score was −14.8 ± 4.5 points on admission and 13.9 ± 4.3 points during hospitalization. Contributors of elevated MELD XI score at baseline and during hospital stay were isolated increase in creatinine in 22–25%, isolated increase in bilirubin in 17–19%, and abnormal values of both in 40–46% of patients. During 1‐year follow‐up, 67 (33%) patients died. After adjustment for well‐established prognosticators, MELD XI score at baseline and during hospital stay were significant predictors of poor outcome [hazard ratio (95% confidence interval): 1.11 (1.05–1.2) and 1.14 (1.09–1.2), respectively, P < 0.001]. An increase in the MELD XI score during hospital stay occurred in 31% of patients and was related to increased risk of death at 1 year [1.97 (1.2–3.2), P < 0.005].

Conclusions

Impairment of hepato‐renal function defined by the MELD XI score is common and carries unfavourable prognosis in AHF patients.
A Rigid CNC Pincer Ligand Acting as a Tripodal Cp Analogue
Authors: Jürgens Eva , Kunz Doris
Published: October 2016

The unusual Cp‐like behavior of an anionic bis(NHC)carbazolide pincer ligand coordinating to a Cp*Ru fragment in a facial mode is presented. The unexpected facial coordination is demonstrated by single‐crystal X‐ray structure analysis.
On the Gluco/Manno Paradox: Practical α‐Glucosylations by NIS/TfOH Activation of 4,6‐O‐Tethered Thioglucoside Donors
Authors: Heuckendorff Mads , Jensen Henrik H.
Published: October 2016

A practical protocol for obtaining α‐glucosides was established. It was found that 4,6‐O‐benzylidene or 4,6‐O‐(di‐tert‐butylsilylene) tethering of glucosyl donors of the thioglycoside type enables highly α‐selective glucosylation under conditions of N‐iodosuccinimide (NIS)/triflic acid (TfOH) activation. The α‐glucosylations were further found to be largely independent of promoter system, temperature, leaving group and anomeric configuration. The results are discussed in the context of the Glucose/Mannose paradox in glycosylation chemistry.
Pathways for the Reactions Between Neurotoxic Organophosphorus Compounds and Oximes or Hydroxamic Acids
Authors: Bierwisch Anne , Koller Marianne , Worek Franz , Kubik Stefan
Published: October 2016

To obtain mechanistic insight into the recently demonstrated detoxification ability of β‐cyclodextrin derivatives containing substituents with oxime or hydroxamic acid residues, analogous glucose derivatives with the same substituents were treated with cyclosarin (GF), tabun (GA), and O‐ethyl S‐[2‐(diisopropylamino)ethyl] methylphosphonothioate (VX) in (Tris)‐HCl buffer (0.1 m, pH 7.40), and the different reaction pathways were studied by 31P NMR spectroscopy and mass spectrometry. Consistent with previous reports, the oxime is phosphonylated by GF, which is followed by elimination of O‐cyclohexyl methylphosphonate to afford a nitrile. Reaction of the hydroxamic acid with GA depends on whether the nitrogen atom of the hydroxamic acid bears a substituent or not. The unsubstituted hydroxamic acid affords a stable phosphate ester lacking the cyanide and the dimethylamino group of GA. If the hydroxamic acid is methylated, the initially formed phosphorylated product undergoes a number of transformations, including cleavage of the C–N bond of the hydroxamic acid. Reaction of the hydroxamic acid with VX involves a Lossen rearrangement. These investigations thus show that all investigated nucleophiles are irreversibly modified upon reaction with nerve agents under the chosen conditions, which indicates that cyclodextrins with oximes or hydroxamic acid as substituents are unlikely to afford catalytic nerve‐agent scavengers.
Modeling of formation and prevention of a pure water zone in capillary isoelectric focusing with narrow pH range carrier ampholytes
Authors: Takácsi‐Nagy Anna , Kilár Ferenc , Thormann Wolfgang
Published: October 2016

This paper comprises a continuation of computer simulation studies dealing with carrier ampholyte based CIEF in presence of narrow pH gradients. With this technique, amphoteric sample components with pI values outside the pH gradient are migrating isotachophoretically toward the cathode or anode whereas components with pI values within the gradient become focused. In order to understand the processes occurring in presence of the electric field, the behavior of both carrier ampholytes and amphoteric sample components is investigated by computer modeling. Characteristics of two pH unit gradients with end components having pI values at or around 7.00 and conditions that lead to the formation of a water zone at neutrality were investigated. Data obtained reveal that a zone of water is formed in focusing with carrier ampholytes when the applied pH range does not cover the neutral region, ends at pH 7.00 or begins at pH 7.00. The presence of additional amphoteric components that cover the neutrality region prevent water zone formation under current flow. This situation is met in experiments with narrow pH gradients that end or begin around neutrality. Simulation data reveal that no water zone evolves when atmospheric carbon dioxide dissolved in the catholyte causes the migration of carbonic acid (in the form of carbonate and/or hydrogen carbonate ions) from the catholyte through the focusing structure. An electrolyte change in the electrode solution does not have an impact on the focusing part but does change the isotachophoretic pattern migrating behind the leading ion.
Design of experiments‐based high‐throughput strategy for development and optimization of efficient cell disruption protocols
Authors: Glauche Florian , Pilarek Maciej , Bournazou Mariano Nicolas Cruz , Grunzel Petra , Neubauer Peter
Published: October 2016

Efficient and reproducible cell lysis is a crucial step during downstream processing of intracellular products. The composition of an optimal lysis buffer should be chosen depending on the organism, its growth status, the applied detection methods, and even the target molecule. Especially for high‐throughput applications, where sample volumes are limited, the adaptation of a lysis buffer to the specific campaign is an urgent need. Here, we present a general design of experiments‐based strategy suitable for eight constituents and demonstrate the strength of this approach by the development of an efficient lysis buffer for Gram‐negative bacteria, which is applicable in a high‐throughput format in a short time. The concentrations of four lysis‐inducing chemical agents EDTA, lysozyme, Triton X‐100, and polymyxin B were optimized for maximal soluble protein concentration and ß‐galactosidase activity in a 96‐well format on a Microlab Star liquid handling platform under design of experiments methodology. The resulting lysis buffer showed the same performance as a commercially available lysis buffer. The developed protocol resulted in an optimized buffer within only three runs. The established procedure can be easily applied to adapt the lysis buffer to other strains and target molecules.
Species and thermal stability of mercury captured by fly ashes
Authors: Gao Zhengyang , Ding Yi , Han Wentao , Hu Hongxiu , Lv Shaokun
Published: October 2016

Samples of fly ash were obtained from four boilers in China. The unburned carbon content, mercury concentrations, and mean ash particle size were measured. The ashes were heated at seven different temperatures, and the mercury released from the heated ashes was determined. The mercury species in the ashes were analyzed. The correlation between the mercury captured by ash and the carbon in ash was determined. The ratio of Hg to ash has an important role in particulate Hg formation. The high Cl content in coal does not absolutely result in the capture of more mercury by ash, but can result in high HgCl2 ratio in particulate mercury. The HgO ratios are low, and the HgSO4 ratios of all the ashes are negligible. The sulfur in coal is an important factor in the sorption of mercury by fly ash, and the high S content in coal results in a high HgS ratio in ash. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 460–467, 2017
Installation of a microseismic monitoring system in the Mittersill scheelite mine / Aufbau eines mikroseismischen Überwachungssystems im Mittersiller Scheelit Bergbau
Authors: Gaul Felix , Eggenreich Stefan
Published: October 2016

The 500.000 t/a underground Mittersill scheelite mine produced around 12 Mio. t during its 40 year lifetime. The active western field dips with 55° to the NNW under the western flank of the steep valley. The ore zone is developed over a vertical length of 600 m from its outcrop at 1.250 m down to the 650 m asl. The deepest workings are already more than 1.000 m below surface due to the dipping below the mountain range. Open stoping with backfill, cut and fill as well as sublevel caving are the prominent mining methods. End of 2015 a micro seismic system from Canadian ESG Solution was installed to get a better understanding of induced stresses and movements in rock formation. As of December 2015 the system consisting of ten sensors are constantly recording all microseismic events in the mine at a depth between 500 and 1.000 m. The events are analysed and graphically displayed according their location, magnitude and category.

Der Mittersiller untertägige Scheelit Bergbau gewinnt pro Jahr etwa 500.000 t Erz. Über die Lebensdauer des Betriebs wurden bereits mehr als 12 Mio. t abgebaut. Die derzeit im Abbau befindliche Lagerstätte, das sogenannte Westfeld fällt mit etwa 55° noch NNW unter den Hang ein. Die Lagerstätte ist vom Ausbiss auf dem Niveau 1.250 m NN bis zum Niveau 650 m NN über 600 Höhenmeter aufgeschlossen. Durch das Einfallen unter den Hang haben die tiefsten Grubenbaue bereits eine Überdeckung von über 1.000 m. Als Abbauverfahren kommen großräumiger Weitungsbau, Firstenstoßbau und Teilsohlenbruchbau zur Anwendung. Ende 2015 wurde ein mikroseismisches Überwachungssystem der kanadischen Firma ESG Solutions installiert, um ein besseres Verständnis über die durch den Bergbau hervorgerufenen Spannungsverlagerungen und Bewegungen im Gebirgsverband zu bekommen. Seit Dezember 2015 erfolgen die Aufzeichnungen in einem Bereich mit einer Überdeckung von 500 bis 1.000 m. Das System erfasst mithilfe von zehn Sensoren seismische Aktivität und zeichnet diese kontinuierlich in Echtzeit auf. Die Ereignisse werden nach Ort, Größe und Kategorie ausgewertet und dreidimensional grafisch dargestellt.
Semmering Base Tunnel completely under construction – Geotechnical prediction transforms to framework plan / Der Semmering‐Basistunnel: Von der geotechnischen Prognose zur tunnelbautechnischen Rahmenplanung
Authors: Wagner Oliver K. , Gobiet Gerhard , Druckfeuchter Hubert
Published: October 2016

Since construction work of section SBT3.1 has started in May 2016, all contract sections of the Semmering Base Tunnel are under construction. Therefore, the geotechnical prediction designed for the tendering transforms to the framework planning required for construction. During the tendering process, the crucial aim of the geotechnical prediction is to depict the expected ranges of the general conditions for contract design and cost estimation. The framework planning for construction on the other hand defines the minimum requirements for tunnel driving at the expected ground conditions. The specification of requirements is set for all driving works – for tunnel and cross‐sections as well as for shafts and complex areas with caverns and therefore varies in expected ground conditions and in complexity of the structure. If the need for an adjustment is indicated on site, the framework plan can be revised in justified cases.

Seit dem Baubeginn im Baulos SBT3.1, im Mai 2016, sind alle drei Tunnelbaulose des Semmering‐Basistunnels in Bau. Damit erfolgt aus tunnelplanerischer Sicht der Übergang von der geotechnischen Prognose der Ausschreibungsplanung zur tunnelbautechnischen Rahmenplanung für die Bauausführung. In der Ausschreibungsphase ist das wesentlichste Ziel der Prognose die Darstellung der erwarteten Bandbreiten der Rahmenbedingungen für die Vertragsgestaltung und die Angebotskalkulation. Die Rahmenplanung für die Bauausführung wiederum hat zum Ziel die Mindestanforderungen für den Vortrieb unter den erwarteten Baugrundverhältnissen zu definieren. Diese Vorgaben erfolgen für sämtliche Vortriebsarbeiten – sowohl für die Tunnel und Querschläge als auch für die Schächte und die Kavernenbereiche – und unterscheiden sich nach den erwarteten Baugrundverhältnissen und der Komplexität des Bauwerks. Werden Anpassungserfordernisse vor Ort erkannt, erfolgt in begründeten Fällen eine Rahmenplanfortschreibung.
Studies of flooding induced by seismicity in the Schlema‐Alberoda uranium mine / Untersuchungen zur flutungsinduzierten Seismizität im Uranerzbergwerk Schlema‐Alberoda
Authors: Schütz Holger , Konietzky Heinz
Published: October 2016

The uranium mine in Schlema‐Alberoda near the town Aue in south‐east Germany was operated between 1947 and 1990. In 1979, a seismic event with local magnitude of ML = 2.9 and intensity MSK = 5 (Medvedev‐Sponheuer‐Karnik scale) was monitored close to the mining area. Due to this event and observations of underground dynamic de‐stressing, a local seismic network was installed and extended in the following years. Seismic events were routinely located and source parameters for selected events were determined [1], [2]. It was found that most of the sources of dynamic events are located outside the mine, in the neighbouring granitic intrusion. During the period of active mining, continuous online evaluation of seismic events was performed in conjunction with online hazard evaluation [2].

In 1990, the controlled flooding of the mine was started. A total excavated volume of 35 m. m3 had to be flooded. The flooding was completed in 2012. The flooding process was continuously monitored with a seismic network over the whole period of 22 years. This large dataset has been used for statistical calculations, correlations between seismicity and flooding level and ground velocity predictions.

Im Bergwerk Schlema‐Alberoda, in der Nähe der Stadt Aue im Südosten Deutschlands, wurde von 1947 bis 1990 Uranerz im Firststoßbau‐Verfahren abgebaut. Im Jahr 1979 wurde in der Nähe des Bergwerks ein seismisches Ereignis mit einer Lokalmagnitude von ML = 2,9 und einer Intensität von I = 5 nach der Medwedew‐Sponheuer‐Karnik‐Skala aufgezeichnet. Dieses Ereignis, verbunden mit beobachteten Spannungsumlagerungen, führte zur Entscheidung, ein lokales seismologisches Online‐Überwachungsnetz zu installieren und in den folgenden Jahren auszubauen. Die Lokalisierung und Magnitudenbestimmung wurde seitdem routinemäßig durchgeführt, und für ausgewählte Ereignisse konnten Herdparameter bestimmt werden [1, 2]. Weiterhin wurde während der Zeit des aktiven Bergbaus eine Online‐Gefährdungsbeurteilung durchgeführt [2]. Die Beobachtungen zeigten, dass sich ein Großteil der Hypozentren nicht im Bergwerk selbst befinden, sondern in der darunter liegenden Granitintrusion. Nach der Einstellung der Bergbauarbeiten wurde im Jahr 1990 die kontrollierte Flutung eingeleitet, die im Jahr 2012 abgeschlossen war. Insgesamt wurden 35 Mio. m3 Hohlraum geflutet. Während des gesamten Zeitraums wurde die Flutung kontinuierlich mit dem seismologischen Netz überwacht. Dieser umfangreiche Datensatz wurde für statistische Berechnungen, Korrelationen zwischen Seismizität und Flutung und zur Abschätzung von Bodenschwinggeschwindigkeiten verwendet.
The rockslide hazard in the former quarry near Spitz and its foreland / Die Felssturzgefahr im ehemaligen Tagebau Spitz a. d. Donau und dessen Vorland
Authors: Poisel Rainer , Kolenprat Bernd , Bertagnoli Michael , Ahmadabadi Morteza , Grasemann Bernhard , Hödlmoser Nikolaus
Published: October 2016

In the former quarry near Spitz many rockslides have occurred during operation as well as after closure. They endangered a railway, the Wachau‐bicycle route, an important road and the left Danube river bank. Therefore, a protection embankment and a rock fall fence were constructed as well as a monitoring system installed automatically closing all traffic routes, when rock face displacements are exceeding a threshold. In order to clarify the need for risk reduction measures, the hazard caused by the former quarry near Spitz was investigated by

– Analyses of weather – and of occurrences statistics (when did rock slides occur for which reasons?) in order to assess the probability of future rock slides,

– Geomechanical analyses of occurred and of possible future rock detachments and

– Analyses of existing deposits and simulations of possible future rock slides in order to estimate the damage caused by these slides.

The results of these investigations and the subsequent conclusions are described.

Im ehemaligen Tagebau Spitz a. d. Donau ereigneten sich in der Vergangenheit sowohl während des Abbaus als auch nach dessen Stilllegung zahlreiche Felsstürze. Diese bedrohten die Wachau‐Bahn, den Wachau‐Radweg, die Wachau‐Bundesstraße und das linksseitige Donauufer. Deshalb wurden ein Schutzdamm geschüttet, ein Steinschlagschutzzaun errichtet und ein Monitoring‐Programm installiert, das bei Gefahr (bei größeren Verschiebungen) automatisch eine Sperre der Verkehrswege auslöst. Um die Notwendigkeit weiterer Maßnahmen zur Reduktion des Risikos abzuklären, wurde die vom ehemaligen Tagebau Spitz a. d. Donau ausgehende Gefahr analysiert. Dies geschah in Form von

– Analysen der Wetter‐ und Ereignisstatistiken (wann ereigneten sich warum Felsstürze), um die Wahrscheinlichkeit weiterer Felsstürze abzuschätzen,

– Geomechanischen Analysen früherer Ablösungen sowie Analysen möglicher zukünftiger Ablösungen und

– Analysen früherer Ablagerungen und Simulationen möglicher zukünftiger Absturzszenarien, um den durch diese Szenarien verursachten Schaden abzuschätzen.

Die Ergebnisse dieser Untersuchungen und die Schlussfolgerungen daraus werden beschrieben.
Management of older adults with dementia who present to emergency services with neuropsychiatric symptoms
Authors: Silwanowicz Ryan M. , Maust Donovan T. , Seyfried Lisa S. , Chiang Claire , Stano Claire , Kales Helen C.
Published: October 2016

Objective

Our aim is to evaluate if and how neuropsychiatric symptoms (NPS) of dementia influence the management and disposition of older adults who present to emergency care settings.

Methods

This is a retrospective cohort study that involved the medical and psychiatric emergency departments of a tertiary academic medical center. Participants included patients ≥65 years of age with dementia who presented between 1 February 2012 and 16 July 2014 (n = 347). Subjects with documented NPS (n = 78) were compared with a group of subjects without documented NPS (n = 78) randomly selected from the overall group with dementia. The groups with and without NPS were compared on demographic, clinical, management, and disposition characteristics.

Results

Patients with NPS were more likely to have additional diagnostic testing performed and receive psychotropic medications including benzodiazepines and antipsychotics. Significantly fewer patients with NPS (59.0%) returned to their original setting from the emergency department than patients without NPS (76.9%). Among patients with NPS, those who had a motor disturbance were more likely to receive psychotropic medications than patients who did not have a motor disturbance. Depression/dysphoria, anxiety, disinhibition, irritability/lability, and motor disturbance were all associated with transfer from medical to psychiatric emergency department. Patients with depression/dysphoria or anxiety were more likely to be psychiatrically hospitalized.

Conclusions

There are significant differences in the management of dementia with and without NPS in the emergency room setting. Developing and implementing successful methods to manage NPS in the emergency department and outpatient setting could potentially lead to less emergent psychotropic administration and reduce hospitalizations. Copyright © 2016 John Wiley & Sons, Ltd.
Genetic association between RAGE polymorphisms and Alzheimer's disease and Lewy body dementias in a Japanese cohort: a case–control study
Authors: Takeshita Yoshihide , Shibata Nobuto , Kasanuki Koji , Nagata Tomoyuki , Shinagawa Shunichiro , Kobayashi Nobuyuki , Ohnuma Tohru , Suzuki Ayako , Kawai Eri , Takayama Toshiki , Nishioka Kenya , Motoi Yumiko , Hattori Nobutaka , Nakayama Kazuhiko , Yamada Hisashi , Arai Heii
Published: October 2016

Background/Aims

Interaction of receptor for advanced glycation end products (RAGE) with amyloid‐β increases amplification of oxidative stress and plays pathological roles in Alzheimer's disease (AD). Oxidative stress leads to α‐synuclein aggregation and is also a major contributing factor in the pathogenesis of Lewy body dementias (LBDs). Therefore, we aimed to investigate whether RAGE gene polymorphisms were associated with AD and LBDs.

Methods

Four single nucleotide polymorphisms (SNPs)—rs1800624, rs1800625, rs184003, and rs2070600—of the gene were analyzed using a case–control study design comprising 288 AD patients, 76 LBDs patients, and 105 age‐matched controls.

Results

Linkage disequilibrium (LD) examination showed strong LD from rs1800624 to rs2070600 on the gene (1.1 kb) in our cases in Japan. Rs184003 was associated with an increased risk of AD. Although there were no statistical associations for the other three SNPs, haplotypic analyses detected genetic associations between AD and the RAGE gene. Although relatively few cases were studied, results from the SNPs showed that they did not modify the risk of developing LBDs in the Japanese population.

Conclusion

Our findings suggested that polymorphisms in the RAGE gene are involved in genetic susceptibility to AD. Copyright © 2016 John Wiley & Sons, Ltd.
Supratracheal partial laryngectomy with tracheohyoidoepiglottopexy (open partial horizontal laryngectomy type IIIa + cricoarytenoid unit): Surgical technique illustrated in the anatomy laboratory
Authors: Succo Giovanni , Crosetti Erika , Bertolin Andy , Lucioni Marco , Rizzotto Giuseppe
Published: October 2016

The first supratracheal partial laryngectomy (STPL) with tracheohyoidoepiglottopexy was performed in 1972. This procedure entailed preservation of the suprahyoid epiglottis as well as a pexy of the hyoid bone and residual epiglottis to the first tracheal ring; however, this technique was abandoned by the same author in the early 1980s because of poor functional outcomes. © 2016 Wiley Periodicals, Inc. Head Neck 39: 392–398, 2017
Extracapsular dissection versus superficial parotidectomy in benign parotid gland tumors: The Vienna Medical School experience
Authors: Kadletz Lorenz , Grasl Stefan , Grasl Matthäus C. , Perisanidis Christos , Erovic Boban M.
Published: October 2016

Background

The purpose of this study was to evaluate the clinical outcome in patients with benign parotid gland tumors after extracapsular dissection or superficial parotidectomy (SP).

Methods

Eight hundred ninety‐four patients with primary pleomorphic adenoma or Warthin's tumor were included from this study. Type and length of surgery, tumor size, resection margins, and complication rates were assessed.

Results

Three hundred ninety‐five (44.2%) extracapsular dissections and 499 SPs (55.8%) were performed. The rate of positive margins was significantly higher in the extracapsular dissection compared to the SP group (29.4% vs 10.2%; p < .0001). Recurrent disease (extracapsular dissection = 7.2% vs SP = 2.2%; p = .0003) and permanent facial palsy were significantly more frequent after extracapsular dissection than SP (2.2% vs 0.6%; p = .0396). Significant prolonged surgery time was observed after SP (146 vs 94 minutes; p < .0001).

Conclusion

Because extracapsular dissection led to a significantly higher percentage of permanent facial palsy, recurrent disease, and positive resection margins compared to SP, we recommend SP for treating benign parotid gland tumors. © 2016 Wiley Periodicals, Inc. Head Neck 39: 356–360, 2017