bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Avogadro Constant for the Definition and Realization of the Mole
Authors: Güttler Bernd , Rienitz Olaf , Pramann Axel 
Published: December 2018

AbstractThe International System of Units’ (SI) base unit of the quantity “amount of substance” is the mole (symbol: mol). After the revision of the SI to be implemented in 2019, when all SI units will be based solely on constants, the mole will be defined through a fixed value of the Avogadro constant NA. One mole contains exactly 6.02214076 × 1023 elementary entities, meaning the mole will no longer be linked to the kilogram. Currently, the mole is defined via the mass of exactly 0.012 kg of the 12C isotope which links it to the kilogram prototype. The history, changes, and implications of the revised definition of the mole are discussed here from the chemist's point of view. The ability to count entities such as atoms or molecules (precisely enough to enable a revision of the SI and preserve consistency of previous and future measurements) is crucial. This is achieved with the realization (Mise en Pratique) based on the X‐ray‐crystal density (XRCD) method (counting the atoms in a silicon sphere). The determination of NA, focusing on the measurement of the molar mass of silicon highly enriched in the 28Si isotope, with the lowest uncertainty so far, is presented.
The Boltzmann Constant for the Definition and Realization of the Kelvin
Authors: Fischer Joachim 
Published: December 2018

AbstractIn November 2018, the four base units, kilogram, ampere, kelvin, and mole, of the International System of Units (SI) are redefined in terms of fundamental physical constants. The redefinition comes into force on World Metrology Day, 20 May 2019. The kelvin, the base unit of thermodynamic temperature, from then is to be founded on a fixed numerical value of the Boltzmann constant. Herein, the change in the definition of the kelvin and the consequences for practical temperature measurement are explained. The primary thermometry methods applied to determine the numerical value of the Boltzmann constant for the redefinition are reviewed. The prospects for the future application of these methods are outlined.
Intrinsic Relations of Bipartite Quantum Resources in Tripartite Systems
Authors: Sun Wen‐Yang , Wang Dong , Fang Bao‐Long , Ding Zhi‐Yong , Yang Huan , Ming Fei , Ye Liu 
Published: December 2018

AbstractQuantum resources play crucial roles for displaying superiority in many quantum communication and computation tasks. To reveal the intrinsic relations hidden in these quantum resources, many efforts have been made in recent years. In this work, the correlations of the tripartite W‐type states based on bipartite quantum resources are investigated. The inter‐relations among the degree of coherence, concurrence, Bell nonlocality, and purity are presented. Considering Bell nonlocal and Bell local (satisfied the Clauser–Horne–Shimony–Holt inequality) states for the two‐qubit subsystems derived from the tripartite W‐type states, exact lower and upper boundaries of the degree of coherence versus concurrence are obtained. Interestingly, exact relation among the degree of coherence, concurrence, and purity is obtained. Moreover, coherence is also closely related to entanglement in two specific scenarios: the tripartite W‐type state under decoherence and a practical system for a renormalized spin‐1/2 Heisenberg model.
Novel acyl thiourea derivatives: Synthesis, antifungal activity, gene toxicity, drug‐like and molecular docking screening
Authors: Antypenko Lyudmyla , Meyer Fatuma , Kholodniak Olena , Sadykova Zhanar , Jirásková Tereza , Troianova Anastasiia , Buhaiova Vladlena , Cao Surui , Kovalenko Sergiy , Garbe Leif‐Alexander , Steffens Karl G. 
Published: December 2018

AbstractNine novel acyl thioureas were synthesized. Their identities and purities were confirmed by LC‐MS spectra; each structure was elucidated by elemental analysis, IR, 1Н and 13C NMR spectra. Applying an in vitro screening of their antifungal potential, three substances (3, 5, and 6) could be selected as showing high activity against 11 fungi and 3 Phytophthora strains of phytopathogenic significance. Analysis of gene toxicity with the Salmonella reverse mutagenicity test, as an assessment of drug likeness, lipophilicity, and calculations of frontier molecular orbitals assign a low toxicity profile to these compounds. Molecular docking studies point to 14α‐demethylase (CYP51) and N‐myristoyltransferase (NMT) as possible fungal targets for growth inhibition. The findings are discussed with respect to structure–activity relationship (SAR).
Photoinduced Electron Transfer‐Regulated Protein Labeling With a Coumarin‐Based Multifunctional Photocrosslinker
Authors: Hotta Yusuke , Kaneko Tsukasa , Hayashi Ryuji , Yamamoto Akito , Morimoto Shota , Chiba Junya , Tomohiro Takenori 
Published: December 2018

AbstractWe developed a novel diazirine‐based photolabeling agent having a (coumarin‐4‐yl)methyl ester scaffold, which exhibited multiple photochemical properties of crosslinking, fluorogenicity and cleavage. These properties can be kinetically regulated via photoinduced electron transfer between diazirine and coumarin moieties. The C−O bond of (coumarin‐4‐yl)methyl ester can be cleaved via photochemical excitation of coumarin moiety, that function has been initially quenched by the diazirine moiety. Upon diazirine photolysis with 365‐nm light, interacting protein was stably captured with photoactivatable ligand probe. Then, the unlocked cleavage function was activated with 313 nm light, and the reaction was accelerated in a weakly‐basic solution. The crosslinked protein could be selectively isolated with attachment of a small coumarin tag on the surface. This multi‐functional labeling agent has a great potential to facilitate LC‐MS/MS‐based protein identification.
Limb body wall complex: Its delineation and relationship with amniotic bands using clustering methods
Authors: Rittler Monica , Campaña Hebe , Poletta Fernando A. , Santos Maria Rita , Gili Juan A. , Pawluk Mariela S. , Cosentino Viviana R. , Gimenez Lucas , Lopez‐Camelo Jorge S. 
Published: December 2018

BackgroundDespite the numerous reports on the limb body wall complex (LBWC), this association has never been adequately defined. Amniotic bands (AB) are frequently present but their role remains unclear. Since most reports were based on clinical and often subjective diagnoses, the aim of this work was to define LBWC and the role of AB, minimizing subjectivity.MethodsData were obtained from the ECLAMC maternity hospitals network database. A total of 450 live and stillborn infants, born during 1967–2013, with AB or the LBWC were selected. A hierarchical cluster analysis was used to classify cases into homogeneous groups (sharing similar associated defects); robustness of the classification was confirmed with a discriminant analysis. The frequency of associated defects was compared among groups; those whose frequency differed significantly were included in a logistic regression to establish their association within each group.ResultsThe cluster analysis identified two groups: a body wall defect (BWD) predominating in one, AB in the other. These groups were further divided into: BWD (cases with only BWD), AB (with only AB), BWD + AB, and NONE (with neither). Association with caudal defects and lower limb amelia was observed for BWD, with cephalic defects and upper limb amputations for BWD + AB.ConclusionsThe results, obtained with the least possible subjectivity, indicated that BWD and BWD + AB are different conditions. Since BWD specifically associates with amelia, we propose that this defect and not any limb deficiency should be considered as inclusion criterium and that it should be included in the BWD acronym as LBWC.
The changing landscape of data monitoring committees—Perspectives from regulators, members, and sponsors
Authors: Bhattacharyya Amit , Gallo Paul , Crisp Adam , LaVange Lisa , Molenberghs Geert , Pétavy Frank , Seltzer Jonathan 
Published: December 2018

AbstractData Monitoring Committees (DMCs) are an integral part of clinical drug development. Their use has evolved along with changing study designs and regulatory expectations, which has associated statistical and ethical implications. Although there is guidance from the different regulatory agencies, there are opportunities to bring more consistency to address practical issues of establishing and operating a DMC. Challenging issues include defining the scope of DMC decisions, the regulatory requirements and expectations, the perceived independence of DMCs, the specific focus primarily on safety, etc. Wider use of adaptive clinical trial designs in recent years introduce additional challenges in terms of trial governance and the complexity of DMC activities. A panel comprised of clinical and statistical experts from across academia, industry, and regulatory agencies shared their experience and thoughts on the importance of these aspects and offered perspectives on the future of the DMCs. This paper documents the thinking from the panel session at the CEN‐ISBS conference held in Vienna, Austria, 2017.
Price‐premium effects of business and community green certifications: The case of the Costa Rican hotel industry
Authors: Rivera Jorge , Roeschmann Juan 
Published: December 2018

AbstractThis study examines whether community‐level green certification strengthens or weakens firm‐level environmental certification performance's effect on Costa Rican hotel room prices. Identifying how different types of environmental (green) certifications complement or substitute one another in their influence on economic benefits is essential for understanding how self‐regulations programs can promote win–win green business strategies that contribute to sustainable development. Relying on a propensity score‐matching approach, we analyze participation in two voluntary environmental certification programs for the entire population of Costa Rican hotels and beach communities between 2001 and 2008. Our findings suggest that for hotels with low to medium environmental certification performance, community‐level green certification acts as a substitute weakening the positive effect of hotel environmental certification performance on price premiums. Alternatively, for hotels with superior environmental certification performance, green community certification acts as a complement strengthening the positive effect of hotel environmental certification performance on price premiums.
Intraprocedural direct left atrial and wedge pressure correlation during transcatheter mitral valve repair: Results from a single center registry
Authors: Chen Lily , Mantri Neha , Eng Maia L. , Wung William , Smith Thomas W. R. , Stripe Benjamin R. , Fan Dali , Boyd Walter D. , Low Reginald I. , Rogers Jason H. , Singh Gagan D. 
Published: December 2018

AbstractObjectivesThis study investigates the correlation of occlusive wedge pressure (WP) with direct left atrial (LA) pressure in patients with severe mitral regurgitation (MR) undergoing transcatheter mitral valve repair (TMVr) with MitraClip.BackgroundThere is interest in acquiring objective hemodynamic parameters for intraprocedural guidance in patients undergoing MitraClip.MethodsThe study included 94 patients with severe MR at prohibitive surgical risk who underwent MitraClip at the University of California Davis Medical Center between 2014 and 2016.ResultsAn average of 1.8 ± 0.7 clips were used to achieve MR grade of 2+ or less in 99% of patients. Correlation analysis of all (n = 236) pre‐clip, inter‐clip, and final‐clip WP and LA pressures yielded a Pearson's R (r) of 0.85 and 0.79 for mean WP vs mean LA and WP V vs LA V, respectively. Median LA V to mean LA ratio (LAV:mLA) was 1.75 (IQR 1.5–1.9). 79% (n = 74) of patients had LAV:mLA ratio ≥ 1.5 with associated WP V vs LA V correlation (r) of 0.83. In patients with LAV:mLA ratio < 1.5, the correlation (r) was 0.69. Baseline characteristics were not significantly different between patients with LAV:mLA ratio ≥ 1.5 and patients with LAV:mLA ratio < 1.5. Post‐procedure, median LA V: mean LA ratio decreased from 1.75 to 1.4, P = 0.0001.ConclusionsCorrelation between WP and direct LA pressure in patients with severe MR undergoing Mitraclip is modest. Caution is advised when using WP to approximate LA pressure intraprocedurally, especially in patients with baseline low LAV:mLA ratios.
Restrictive ventilatory impairment improved by laminoplasty for ossification of the posterior longitudinal ligament
Authors: Nishida Takashi , Ishiguro Takashi , Ota Chie , Takaku Yotaro , Kagiyama Naho , Kurashima Kazuyoshi , Takayanagi Noboru 
Published: December 2018

Key Clinical MessageWe report a woman with severe restrictive ventilatory impairment because of respiratory muscle paralysis caused by ossification of the posterior longitudinal ligament (OPLL). Laminoplasty improved her respiratory function and quality of life. Cervical myelopathy including OPLL should be considered as an important differential diagnosis in patients with respiratory dysfunction.
Extracranial metastases in glioblastoma—Two case stories
Authors: Schou Nørøxe Dorte , Regner Michaelsen Signe , Broholm Helle , Møller Søren , Skovgaard Poulsen Hans , Lassen Ulrik 
Published: December 2018

Key Clinical MessageThe clinician should always consider extracranial metastases in glioblastoma. Increased risk factors are young age at diagnosis, histology of gliosarcoma, and prior intracranial tumor surgery. Clinical guidelines are needed for this rare event, including consideration for prophylactic intervention.
Decorated PtRu Electrocatalyst for Concentrated Direct Methanol Fuel Cells
Authors: Luo Fang , Zhang Quan , Qu Konggang , Guo Long , Hu Hao , Yang Zehui , Cai Weiwei , Cheng Hansong 
Published: December 2018

AbstractIncrement in methanol concentration can logically improve the fuel cell performance of direct methanol fuel cells (DMFCs) to address the sluggish methanol oxidation reaction (MOR). Thus, development in anodic electrocatalyst for concentrated methanol oxidation becomes highly important. Here, we report a facile method to promote the PtRu electrocatalyst's catalytic activity in concentrated methanol by polymer coating, which affords a higher CO tolerance and thus leads to a better MOR activity. As a consequence, the fuel cell performance is 2.5 times higher relative to benchmark CB/PtRu if 4 M methanol is used. Superior stability and CO tolerance are simultaneously achieved thanks to the PBI coating. Thus, the polymer decorated PtRu electrocatalyst can potentially utilized as anodic electrocatalyst for concentrated DMFC application.
Synthesis and Preliminary Evaluation of 11C‐Labeled VU0467485/AZ13713945 and Its Analogues for Imaging Muscarinic Acetylcholine Receptor Subtype 4
Authors: Deng Xiaoyun , Hatori Akiko , Chen Zhen , Kumata Katsushi , Shao Tuo , Zhang Xiaofei , Yamasaki Tomoteru , Hu Kuan , Yu Qingzhen , Ma Longle , Wang Gangqiang , Wang Lu , Shao Yihan , Josephson Lee , Sun Shaofa , Zhang Ming‐Rong , Liang Steven 
Published: December 2018

AbstractMuscarinic acetylcholine receptors (mAChRs) have five distinct subunits (M1–M5) and are involved in the action of the neurotransmitter acetylcholine in the central and peripheral nervous system. Attributed to the promising clinical efficacy of xanomeline, an M1/M4‐preferring agonist, in patients of schizophrenia and Alzheimer's disease, M1‐ or M4‐selective mAChR modulators have been developed that target the topographically distinct allosteric sites. Herein we report the synthesis and preliminary evaluation of 11C‐labeled positron emission tomography (PET) ligands based on a validated M4R positive allosteric modulator VU0467485 (AZ13713945) to facilitate drug discovery. [11C]VU0467485 and two other ligands were prepared in high radiochemical yields (>30 %, decay‐corrected) with high radiochemical purity (>99 %) and high molar activity (>74 GBq μmol−1). In vitro autoradiography studies indicated that these three ligands possess moderate‐to‐high in vitro specific binding to M4R. Nevertheless, further physiochemical property optimization is necessary to overcome the challenges associated with limited brain permeability.
A cylindrical basis set for shim coil design in magnetic resonance imaging
Authors: Phair Andrew , Brideson Michael , Forbes Lawrence K. 
Published: December 2018

AbstractShim coils used in magnetic resonance imaging and NMR to produce magnetic fields are commonly designed to generate spherical harmonics, and thus achieve accuracy over a spherical region. Herein a cylindrical basis set is presented as an alternative to spherical harmonics, so as to better suit the cylindrical coil geometry and, in cases where it more closely matches a cylinder, the imaging region of interest. Example coil winding patterns for a selection of functions in this new set are derived using the target field method. A computational approach is taken to determine their accuracy, and it is found the basis functions are generated with high accuracy over cylindrical imaging regions within the coil. The basis set is also applied to a double‐coil configuration with active shielding, which results in slightly reduced accuracy within the coil but highly effective field nullification beyond the coil radius.
A low‐cost multi‐channel software‐defined radio‐based NMR spectrometer and ultra‐affordable digital pulse programmer
Authors: Michal Carl A. 
Published: December 2018

AbstractIn recent years, a new generation of software‐defined radio (SDR) products has emerged that are well suited for adaptation for NMR instrumentation. The software and hardware of a new NMR spectrometer console based upon an inexpensive SDR product are described. This device is provided with open‐source firmware and drivers which have allowed the customization of its behavior and optimization for use in NMR. In particular, these low‐level modifications have allowed for straightforward synchronization of multiple SDR boards with each other and with other devices. Control of other devices is facilitated by a new digital pulse programmer constructed using an inexpensive open‐source, widely available microcontroller platform. The strategy used for precise, reproducible synchronization of the different components is described in detail. Representative spectra are presented demonstrating both high‐resolution and wide‐line spectroscopy with spectral widths up to 50 MHz.
Biocatalytic Production of Amino Carbohydrates through Oxidoreductase and Transaminase Cascades
Authors: Aumala Ville , Mollerup Filip , Jurak Edita , Blume Fabian , Karppi Johanna , Koistinen Antti E. , Schuiten Eva , Voß Moritz , Bornscheuer Uwe , Deska Jan , Master Emma R. 
Published: December 2018

AbstractPlant‐derived carbohydrates are an abundant renewable resource. Transformation of carbohydrates into new products, including amine‐functionalized building blocks for biomaterials applications, can lower reliance on fossil resources. Herein, biocatalytic production routes to amino carbohydrates, including oligosaccharides, are demonstrated. In each case, two‐step biocatalysis was performed to functionalize d‐galactose‐containing carbohydrates by employing the galactose oxidase from Fusarium graminearum or a pyranose dehydrogenase from Agaricus bisporus followed by the ω‐transaminase from Chromobacterium violaceum (Cvi‐ω‐TA). Formation of 6‐amino‐6‐deoxy‐d‐galactose, 2‐amino‐2‐deoxy‐d‐galactose, and 2‐amino‐2‐deoxy‐6‐aldo‐d‐galactose was confirmed by mass spectrometry. The activity of Cvi‐ω‐TA was highest towards 6‐aldo‐d‐galactose, for which the highest yield of 6‐amino‐6‐deoxy‐d‐galactose (67 %) was achieved in reactions permitting simultaneous oxidation of d‐galactose and transamination of the resulting 6‐aldo‐d‐galactose.
Telecytology implementation: Deployment of telecytology for rapid on‐site evaluations at an Academic Medical Center
Authors: Monaco Sara E. , Koah Amber E. , Xing Juan , Ahmed Ishtiaque , Cuda Jackie , Cunningham Jayna , Metahri Djamila , Progar Abbigal , Pantanowitz Liron 
Published: December 2018

IntroductionThere are limited publications that address technical and practical informatics considerations when implementing telecytology for rapid on‐site evaluation (ROSE). Our aim was to share the experience of deploying telecytology for ROSE at our institution.Materials and methodsKey informatics issues relevant to adopting telecytology for ROSE at our institution were appraised including workflow, information technology (IT), validation, training, and quality assurance (QA).ResultsA dynamic telemicroscopy solution was selected that required trained cytotechnologists to attend on‐site procedures for ROSE. For validation 60 cases were reviewed using the first camera at each facility, but only 20 cases to validate subsequent cameras. A concordance rate of >90% between ROSE interpretation performed digitally to original interpretations was required for clinical validation. After reviewing 440 cases from two comparable time periods before and after implementation, employing telecytology was shown to decrease cytopathologists’ work time per ROSE case from an average of 20.95 min per case to 2.91 min per case (86% time savings). The non‐diagnostic rate for traditional ROSE was 7.7% compared with 4.1% after the implementation of telecytology, and the deferral rate went from 43.6% for traditional ROSE to 44.1% with telecytology. Traditional ROSE diagnoses correlated with final diagnoses in 91.8% cases, compared to 95.5% with telecytology.ConclusionsChallenges when implementing telecytology for ROSE included technical issues, workflow concerns, and incorporating trainees into daily practice. The end result of our implementation was the adoption of an innovative way to deliver a ROSE service that maximised efficiency for cytopathologists without compromising diagnostic performance.
An ultrasensitive spintronic strain‐gauge sensor and a spin‐MEMS microphone
Authors: Fuji Yoshihiko , Hara Michiko , Higashi Yoshihiro , Kaji Shiori , Masunishi Kei , Nagata Tomohiko , Yuzawa Akiko , Otsu Kenji , Okamoto Kazuaki , Baba Shotaro , Ono Tomio , Hori Akio , Fukuzawa Hideaki 
Published: December 2018

AbstractThis review provides the spintronic strain‐gauge sensor (Spin‐SGS) based on a magnetic tunnel junction (MTJ) with a high gauge factor in excess of 5000, which was realized by adopting a novel amorphous Fe‐B‐based sensing layer with high magnetostriction and low coercivity in a high magnetoresistance Mg‐O barrier MTJ. This review also provides a demonstration of novel “Spintronic MEMS (Spin‐MEMS) microphone,” in which a series of Spin‐SGSs are integrated onto a bulk micromachined diaphragm. The Spin‐MEMS microphone exhibits a signal‐to‐noise ratio (SNR) of 57 dB(A) due to the high strain sensitivity of the Spin‐SGSs.
Analyzing the Relation between Structure and Aggregation Induced Emission (AIE) Properties of Iridium(III) Complexes through Modification of Non‐Chromophoric Ancillary Ligands
Authors: Galán Laura Abad , Cordes David B. , Slawin Alexandra M. Z. , Jacquemin Denis , Ogden Mark I. , Massi Massimiliano , Zysman‐Colman Eli 
Published: December 2018

AbstractInvited for the cover of this issue is Eli Zysman‐Colman from the University of St. Andrews, Fife, UK. The cover image shows the structures of the iridium complexes against a background of the light they emit in the solid state, emphasizing the relationship between structural modifications and photophysical properties.