bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Terminal Iridium Oxo Complex with a Triplet Ground State
Authors: Delony Daniel , Kinauer Markus , Diefenbach Martin , Demeshko Serhiy , Würtele Christian , Holthausen Max C. , Schneider Sven 
Published: June 2019

AbstractA terminal iridium oxo complex with an open‐shell (S=1) ground state was isolated upon hydrogen atom transfer (HAT) from the respective iridium(II) hydroxide. Electronic structure examinations support large spin delocalization to the oxygen atom. Selected oxo transfer reactions indicate the ambiphilic reactivity of the iridium oxo moiety. Calorimetric and computational examinations of the HAT revealed a bond dissociation free energy for the IrO−H bond that is sufficient for hydrogen atom abstraction towards C−H bonds and small contributions from entropy and spin–orbit coupling to the HAT thermochemistry.
Inverting Small Molecule–Protein Recognition by the Fluorine Gauche Effect: Selectivity Regulated by Multiple H→F Bioisosterism
Authors: Bentler Patrick , Bergander Klaus , Daniliuc Constantin G. , Mück‐Lichtenfeld Christian , Jumde Ravindra P. , Hirsch Anna K. H. , Gilmour Ryan 
Published: June 2019

AbstractFluorinated motifs have a venerable history in drug discovery, but as C(sp3)−F‐rich 3D scaffolds appear with increasing frequency, the effect of multiple bioisosteric changes on molecular recognition requires elucidation. Herein we demonstrate that installation of a 1,3,5‐stereotriad, in the substrate for a commonly used lipase from Pseudomonas fluorescens does not inhibit recognition, but inverts stereoselectivity. This provides facile access to optically active, stereochemically well‐defined organofluorine compounds (up to 98 % ee). Whilst orthogonal recognition is observed with fluorine, the trend does not hold for the corresponding chlorinated substrates or mixed halogens. This phenomenon can be placed on a structural basis by considering the stereoelectronic gauche effect inherent to F−C−C−X systems (σ→σ*). Docking reveals that this change in selectivity (H versus F) with a common lipase results from inversion in the orientation of the bound substrate being processed as a consequence of conformation. This contrasts with the stereochemical interpretation of the biogenetic isoprene rule, whereby product divergence from a common starting material is also a consequence of conformation, albeit enforced by two discrete enzymes.
Reinforced thin‐film composite nanofiltration membranes: Fabrication, characterization, and performance testing
Authors: Turken Turker , Sengur‐Tasdemir Reyhan , Sayinli Burcu , Urper‐Bayram Gulsum Melike , Ates‐Genceli Esra , Tarabara Volodymyr V. , Koyuncu Ismail 
Published: June 2019

ABSTRACTHollow‐fiber (HF) membranes have the advantage of a higher packing density compared to flat‐sheet and spiral‐wound configurations. However, the low pressure tolerance of HF membranes limits their applications in nanofiltration (NF). In this study, reinforced thin‐film composite (r‐TFC) HF NF membranes were fabricated and evaluated in tests with water containing different salts and organic matter. Reinforced polysulfone ultrafiltration membranes were used as a support for a polyamide layer prepared from piperazine and trimesoyl chloride monomers. The interfacial polymerization conditions were optimized via selection of the trimesoyl chloride reaction time that gave the highest membrane performance. A specific permeate flux of 5.1 L m–2h–1bar–1, an MgSO4rejection of 69%, and an NaCl rejection of 26% at a transmembrane pressure of 6 bars were obtained with the optimized r‐TFC membranes. Performance studies with water characterized by synthetic solution demonstrated removals of the total organic carbon, ultraviolet absorbance at 254 nm, and turbidity in excess of 65, 80, and 90%, respectively. The results of this study illustrate the feasibility of manufacturing r‐TFC HFs and using them in water‐treatment applications. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 48001.
First attempts towards the restoration of gorgonian populations on the Mediterranean continental shelf
Authors: Montseny Maria , Linares Cristina , Viladrich Núria , Olariaga Alejandro , Carreras Marc , Palomeras Narcís , Gracias Nuno , Istenič Klemen , Garcia Rafael , Ambroso Stefano , Santín Andreu , Grinyó Jordi , Gili Josep‐Maria , Gori Andrea 
Published: June 2019

Abstract

In the Mediterranean Sea, gorgonians are among the main habitat‐forming species of benthic communities on the continental shelf and slope, playing an important ecological role in coral gardens.
In areas where bottom trawling is restricted, gorgonians represent one of the main components of trammel net bycatch. Since gorgonians are long‐lived and slow‐growing species, impacts derived from fishing activities can have far‐reaching and long‐lasting effects, jeopardizing their long‐term viability. Thus, mitigation and ecological restoration initiatives focusing on gorgonian populations on the continental shelf are necessary to enhance and speed up their natural recovery.
Bycatch gorgonians from artisanal fishermen were transplanted into artificial structures, which were then deployed at 85 m depth on the outer continental shelf of the marine protected area of Cap de Creus (north‐west Mediterranean Sea, Spain). After 1 year, high survival rates of transplanted colonies (87.5%) were recorded with a hybrid remotely operated vehicle.
This pilot study shows, for the first time, the survival potential of bycatch gorgonians once returned to their habitat on the continental shelf, and suggests the potential success of future scaled‐up restoration activities.
Effect of synthesis method and chemical reagents on the structural parameters, particle size, and optical and photoluminescence properties of ZnS nanostructures
Authors: Ghanaatian Jobzari Hossein , Iranmanesh Parvaneh , Sabet Mohammad , Saeednia Samira 
Published: June 2019

AbstractIn this experimental study, ZnS nanostructures were synthesized using two hydrothermal and co‐precipitation methods with different precursors. Different reagents and precursors were changed to obtain the best product size and morphology. The structure and crystal phase of the products were studied using X‐ray diffraction (XRD) patterns. Some structural parameters were calculated using the XRD results and a product composition was obtained by energy dispersive X‐ray (EDX) analysis and Fourier transform infrared (FT‐IR) spectra to study the chemical composition. The size and morphology of ZnS nanostructures were obtained by scanning electron microscopy (SEM). The optical properties of the synthesized ZnS nanostructures were examined using ultraviolet–visible (UV–Vis) spectra to estimate the optical band gap. Band gap energies were higher than those in the ZnS bulk sample, mainly due to quantum size effects. The photoluminescence (PL) properties of the products were investigated using PL spectra. The results showed the effect of two factors, namely synthesis method and chemical reagents, on the structure parameters, crystallite size, product size and morphology, and optical and PL properties.
Structural and Functional Characterization of 4‐Hydroxyphenylacetate 3‐Hydroxylase from Escherichia coli
Authors: Deng Yifan , Faivre Bruno , Back Olivier , Lombard Murielle , Pecqueur Ludovic , Fontecave Marc 
Published: June 2019

AbstractThe hydroxylation of phenols into polyphenols, which are valuable chemicals and pharmaceutical products, is a challenging reaction. The search for green synthetic processes has led to considering microorganisms and pure hydroxylases as catalysts for phenol hydroxylation. Herein, we report the structural and functional characterization of the flavin adenine dinucleotide (FAD)‐dependent 4‐hydroxyphenylacetate 3‐monooxygenase from Escherichia coli, named HpaB. It is shown that this enzyme enjoys a relatively broad substrate specificity, which allows the conversion of a number of non‐natural phenolic compounds, such as tyrosol, hydroxymandelic acid, coumaric acid, hydroxybenzoic acid and its methyl ester, and phenol, into the corresponding catechols. The reaction can be performed by using a simple chemical assay based on formate as the electron donor and the organometallic complex [Rh(bpy)Cp*(H2O)]2+ (Cp*: 1,2,3,4,5‐pentamethylcyclopentadiene, bpy: 2,2′‐bipyridyl) as the catalyst for FAD reduction. The availability of a crystal structure of HpaB in complex with FAD at 1.8 Å resolution opens up the possibility of the rational tuning of the substrate specificity and activity of this interesting class of phenol hydroxylases.
Distance versus Capillary Flow Dynamics‐Based Detection Methods on a Microfluidic Paper‐Based Analytical Device (μPAD)
Authors: Chung Soo , Jennings Christian M. , Yoon Jeong‐Yeol 
Published: June 2019

AbstractIn recent years, there has been high interest in paper‐based microfluidic sensors or microfluidic paper‐based analytical devices (μPADs) towards low‐cost, portable, and easy‐to‐use sensing for chemical and biological targets. μPAD allows spontaneous liquid flow without any external or internal pumping, as well as an innate filtration capability. Although both optical (colorimetric and fluorescent) and electrochemical detection have been demonstrated on μPADs, several limitations still remain, such as the need for additional equipment, vulnerability to ambient lighting perturbation, and inferior sensitivity. Herein, alternative detection methods on μPADs are reviewed to resolve these issues, including relatively well studied distance‐based measurements and the newer capillary flow dynamics‐based method. Detection principles, assay performance, strengths, and weaknesses are explained for these methods, along with their potential future applications towards point‐of‐care medical diagnostics and other field‐based applications.
Energieeffizienzsteigerung in der Prozesswasseraufbereitung – Untersuchungen zu Bildungsmechanismen von Silikatbelägen
Authors: Blauth Franziska , Schiemann Bettina 
Published: June 2019

AbstractUntersuchungen zu Bildungsmechanismen von Silikatbelägen auf Umkehrosmosemembranen und deren morphologische Ausprägung werden vorgestellt. Es werden relevante Einflussfaktoren auf die Bildung von Belägen betrachtet und die einzelnen Mechanismen beschrieben. Weiterhin werden die wesentlichen Charakterisierungsmerkmale für die Untersuchung von Silikatbelägen festgelegt, die angewendeten Analysemethoden beschrieben und Einblicke in die Probenpräparation gegeben.
Forschungsinnovative
Authors: Berger Mona 
Published: June 2019

AbstractDas für seine Wirbelschichttechnologie bekannte Weimarer Unternehmen Glatt Ingenieurtechnik ist ein gefragter Technologiepartner für kundenspezifische Verfahren und Produkte. Die technologische Expertise wird auch in der Spitzenforschung geschätzt, wie der nachfolgende überblick über die aktuellen Forschungsprojekte zeigt, an denen Glatt beteiligt ist.
Eine Welt voller Sensoren
Authors: Hartleb Jörg 
Published: June 2019

AbstractDie Industrie 4.0 ist digitaler Erfolgstreiber und beschleunigt die Vernetzung von Menschen, Anlagen, Assets und Systemen. Für Industrieunternehmen ist entscheidend, inwieweit sich Geräte und Anlagenkomponenten in die neue digitale Infrastruktur integrier
Eine nahezu transparente Emulsion
Authors: Ahlers Ulrich 
Published: June 2019

AbstractGEA Homogenisatoren werden in pharmazeutischen und kosmetischen Anwendungen eingesetzt und erzielen bereits seit vielen Jahren hervorragende Resultate in Bezug auf Zellaufschluss und Emulgiereffekte. Mit dem NiSoX‐Ventil verändert GEA das Homogenisierungsverfahren zu Verarbeitung von Mikro‐ und Nanoemulsionen für die Chemie‐, Pharmaund Kosmetikindustrie grundlegend.
Feasibility of relatively low neoadjuvant radiation doses for locally advanced rectal cancer: A propensity score‐matched analysis
Authors: Ye Wenyuan , Shi Liming , Qian Liwen , Sun Yikan , Sun Xiaonan 
Published: June 2019

AbstractBackgroundNeoadjuvant chemoradiation therapy is part of the standard treatment of locally advanced rectal cancer (LARC). Although various options for modifying preoperative radiotherapy protocols have been researched and proposed, there is still no consensus as to the most appropriate dose regimen of neoadjuvant therapy for this disease.AimTo evaluate the effects of relatively low‐dose radiation regimens on tumor regression and clinical outcomes in rectal cancer patients treated with neoadjuvant CRT followed by mesorectal excision.Methods and ResultsWe retrospectively analyzed patients with LARC who underwent neoadjuvant concurrent chemoradiation (CCRT) in our hospital from June 2010 to December 2015. A total of 259 consecutive patients were enrolled, receiving 42 to 44 Gy (RLD, n = 31), 46 Gy (SD1, n = 69), or 50 Gy (SD2, n = 159) of CRT, combined with either capecitabine/oxaliplatin or capecitabine only or mFOLFOX6, followed by total mesorectal excision. A 1:4 propensity score matching was employed, and all patients in the RLD group were matched with 124 patients in the SD2 group. Rates of pCR, 3‐year local/regional recurrence (LRR), overall survival (OS), and disease‐free survival (DFS) in the RLD group were all not significantly different (0.313 for pCR; 0.884 for LRR; and 0.762 for OS; 0.101 for DFS) from those in SD1 and SD2 groups. The RLD group showed a lower incidence of grade 3 to 4 hematologic toxicity than SD2 group (0.019). A propensity score analysis demonstrated no significant differences in the pCR rates and 3‐year outcomes between the RLD and SD2 group.ConclusionRelatively low‐dose regimen (≤44 Gy) of neoadjuvant CRT combined with standard concurrent chemotherapy appears to be both safe and effective in Chinese patients with LARC. Further testing by prospective randomized trials is needed.
Importance of measuring endolysosome, cytosolic, and extracellular pH in understanding the pathogenesis of and possible treatments for glioblastoma multiforme
Authors: Halcrow Peter W. , Khan Nabab , Datta Gaurav , Ohm Joyce E. , Chen Xuesong , Geiger Jonathan D. 
Published: June 2019

AbstractBackgroundGlioblastoma multiforme (GBM) is a very aggressive form of brain cancer that carries with it a tragically poor prognosis. As with many other forms of cancer, the extracellular environment near GBM tumors is acidified and is relevant to the pathogenesis of GBM because decreased pH promotes tumor cell invasion, increases angiogenesis, decreases immune surveillance, and increases resistance to possible treatments. Recently, vacuolar ATPase (v‐ATPase), a proton pump that helps maintain the acidic environment in endosomes and lysosomes (hereafter referred to endolysosomes) as well as proton gradients across the plasma membrane, was identified as a novel therapeutic target for GBM. However, information is lacking about cancer cell and tissue pH of endolysosomes, cytosol, and extracellular fluid.AimsHere, we measured endolysosome, cytosolic, and extracellular pH in U87MG cells in the absence and presence of the v‐ATPase inhibitor bafilomycin A1.MethodsIn vitro measurements of U87MG cells were conducted using LysoSensor dye and a Lysosome‐RFP dye for lysosome pH, BCECF‐AM for cytosolic pH, and a pH‐sensitive microprobe for extracellular pH.ResultsBafilomycin A1 increased endolysosome pH from 5.28 to 5.57, decreased cytosolic pH from 7.01 to 6.46, and increased extracellular pH from 7.18 to 7.40.ConclusionsHere, we report the ability to make pH measurements in U87MG glioblastoma cells and discuss these results in the context of GBM pathogenesis and possible treatment. This might be of some importance in understanding the pathogenesis of GBM because the highly regulated stores of hydrogen (H+) ions in endolysosomes can influence cytosolic and extracellular pH as well as the distribution, numbers, and sizes of endolysosomes.
What's retinoic acid got to do with it? Retinoic acid regulation of the neural crest in craniofacial and ocular development
Authors: Williams Antionette L. , Bohnsack Brenda L. 
Published: June 2019

SummaryRetinoic acid (RA), the active derivative of vitamin A (retinol), is an essential morphogen signaling molecule and major regulator of embryonic development. The dysregulation of RA levels during embryogenesis has been associated with numerous congenital anomalies, including craniofacial, auditory, and ocular defects. These anomalies result from disruptions in the cranial neural crest, a vertebrate‐specific transient population of stem cells that contribute to the formation of diverse cell lineages and embryonic structures during development. In this review, we summarize our current knowledge of the RA‐mediated regulation of cranial neural crest induction at the edge of the neural tube and the migration of these cells into the craniofacial region. Further, we discuss the role of RA in the regulation of cranial neural crest cells found within the frontonasal process, periocular mesenchyme, and pharyngeal arches, which eventually form the bones and connective tissues of the head and neck and contribute to structures in the anterior segment of the eye. We then review our understanding of the mechanisms underlying congenital craniofacial and ocular diseases caused by either the genetic or toxic disruption of RA signaling. Finally, we discuss the role of RA in maintaining neural crest‐derived structures in postembryonic tissues and the implications of these studies in creating new treatments for degenerative craniofacial and ocular diseases.
Acute hypotension induced by suction of cystic fluid containing extremely high concentrations of catecholamines during resection of giant pheochromocytoma
Authors: Samejima Mio , Taguchi Satoru , Miyagawa Shogo , Matsumoto Ryuki , Omura Shota , Ninomiya Naoki , Nakamura Yu , Yamaguchi Tsuyoshi , Kinjo Manami , Tambo Mitsuhiro , Okegawa Takatsugu , Koba Tsuyuha , Matsuki Ryota , Jimbo Ippei , Motoyasu Akira , Tsumura Tetsuro , Shimoyamada Hiroaki , Shibahara Junji , Sakamoto Yoshihiro , Fukuhara Hiroshi 
Published: June 2019

IntroductionSince pheochromocytomas present with various complications due to catecholamine hypersecretion, their perioperative management needs special attention.Case presentationA 45‐year‐old man visited our hospital with a complaint of abdominal swelling. Radiological and endocrinological assessments determined the tumor as a giant (>20 cm) cystic pheochromocytoma. After administration of doxazosin, the patient underwent radical surgery. Since the tumor was extremely large and fixed to surrounding structures, we punctured it and aspirated cystic fluid to improve the tumor's mobility. However, during the aspiration, the patient developed acute hypotension, which could be reversed by suction withdrawal and vasopressor administration. A similar event occurred during a second aspiration. Eventually, the tumor was successfully excised with negative surgical margin. The cystic fluid proved to contain extremely high concentrations of catecholamines, which might result in the hypotension.ConclusionWe report the first case who developed acute hypotension due to aspiration of cystic fluid from giant pheochromocytoma.
Early detection of brain cancer using association allotment hierarchical clustering
Authors: Tamilmani G. , Sivakumari S. 
Published: June 2019

AbstractMedical applications uses the computer assisted diagnosis system for recognizing the enormous amount of diseases, but cancer is one of the major challenge to the doctors because it is difficult to recognize in earlier stage with accurate manner. To overcome these issues, in this article, an early detection of brain cancer using Association Allotment Hierarchical Clustering technique is proposed. The proposed automatic detection process includes various processing steps such as preprocessing, image segmentation, feature extraction, selection, and cancer identification process. Initially the microscopic images are captured which contaminated several noises that have been removed by applying the mutual piece‐wise linear transformation filtering approach. The method successfully eliminates irrelevant information and enhances the quality of the captured biopsy image. After that affected cancer cell region has been segmented with the help of Association Allotment Hierarchical Clustering method which examines the cell, tissues, and relevant border while segmenting the cancer cell. From the segmented region, different textures, statistical features are extracted depending on the tissue level, cell level, region, and contour level. Then to improve the performance of classification, the optimum features are selected using gray wolf optimization. The novelty of the proposed method is to give a better performance and the accuracy is obtained nearly 100%. Finally, the selected features are classified using neural network. Experimental result demonstrates that the performance of proposed method in terms of segmentation and computation time is better when compared with state‐of‐art approaches.
1064‐nm‐resonant gold nanorods for photoacoustic theranostics within permissible exposure limits
Authors: Cavigli Lucia , Centi Sonia , Borri Claudia , Tortoli Paolo , Panettieri Ilaria , Streit Ingolf , Ciofini Daniele , Magni Giada , Rossi Francesca , Siano Salvatore , Ratto Fulvio , Pini Roberto 
Published: June 2019

AbstractTherapeutic and diagnostic methods based on photomechanical effects are attracting much current attention in contexts as oncology, cardiology and vascular surgery, for such applications as photoacoustic imaging or microsurgery. Their underlying mechanism is the generation of ultrasound or cavitation from the interaction of short optical pulses with endogenous dyes or targeted contrast agents. Among the latter, gold nanorods are outstanding candidates, but their use has mainly been reported for photoacoustic imaging and photothermal treatments. Conversely, much less is still known about their value as a precision tool for photomechanical manipulations, such as to impart local damage with high spatial resolution through the expansion and collapse of microbubbles. Here, we address the feasibility of gold nanorods exhibiting a distribution of surface plasmon resonances between about 900 to above 1100 nm as a contrast agent for photoacoustic theranostics. After testing their cytotoxicity and cellular uptake, we discuss their photostability and use to mediate cavitation and the photomechanical destruction of targeted cells. We find that the choice of a plasmonic band peaking around 1064 nm is key to enhance the translational potential of this approach. With respect to the standard alternative of 800 nm, at 1064 nm, relevant regulations on optical exposure are less restrictive and the photonic technology is more mature.