bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity
Authors: Luo Min , Lin Chensheng , Lin Donghong , Ye Ning 
Published: June 2020

AbstractThe first fluorosulfonic ultraviolet (UV) nonlinear optical (NLO) material, C(NH2)3SO3F, is rationally designed by taking KBe2BO3F2 (KBBF) as the parent compound. C(NH2)3SO3F features similar topological layers as KBBF by replacing inorganic (BO3)3− with organic C(NH2)3+ trigonal units and BeO3F with SO3F− tetrahedra. Therefore, C(NH2)3SO3F is a metal‐free UV NLO crystal. Benefiting from the coplanar configuration of the C(NH2)3+ cationic groups, it possesses a large SHG response of 5×KDP and moderate birefringence of 0.133@1064 nm. Besides, it has a short UV cutoff edge of 200 nm. The calculated results reveal the shortest SHG phase‐matching wavelengths can reach 200 nm. These findings highlight the exploration of metal‐free compounds as nontoxic and low‐cost UV NLO materials as a new research area.
Nanostructured Micelle Nanotubes Self‐Assembled from Dinucleobase Monomers in Water
Authors: Aparicio Fátima , Chamorro Paula B. , Chamorro Raquel , Casado Santiago , González‐Rodríguez David 
Published: June 2020

AbstractDespite the central importance of aqueous amphiphile assemblies in science and industry, the size and shape of these nano‐objects is often difficult to control with accuracy owing to the non‐directional nature of the hydrophobic interactions that sustain them. Here, using a bioinspired strategy that consists of programming an amphiphile with shielded directional Watson–Crick hydrogen‐bonding functions, its self‐assembly in water was guided toward a novel family of chiral micelle nanotubes with partially filled lipophilic pores of about 2 nm in diameter. Moreover, these tailored nanotubes are successfully demonstrated to extract and host molecules that are complementary in size and chemical affinity.
Probing the Activity of Iron Peroxo Porphyrin Intermediates in the Reaction Layer during the Electrochemical Reductive Activation of O2
Authors: Noel Jean‐Marc , Kostopoulos Nikolaos , Achaibou Célia , Fave Claire , Anxolabéhère‐Mallart Elodie , Kanoufi Frédéric 
Published: June 2020

AbstractHerein we report the first example of using scanning electrochemical microscopy (SECM) to quantitatively analyze O2 reductive activation in organic media catalyzed by three different Fe porphyrins. For each porphyrin, SECM can provide in one single experiment the redox potential of various intermediates, the association constant of FeII with O2, and the pKa of the FeIII(OOH−)/ FeIII(OO2−) couple. The results obtained can contribute to a further understanding of the parameters controlling the catalytic efficiency of the Fe porphyrin towards O2 activation and reduction.
Cooperativity of Catechols and Amines in High‐Performance Dry/Wet Adhesives
Authors: Tiu Brylee David B. , Delparastan Peyman , Ney Max R. , Gerst Matthias , Messersmith Phillip B. 
Published: June 2020

AbstractThe outstanding adhesive performance of mussel byssal threads has inspired materials scientists over the past few decades. Exploiting the amino‐catechol synergy, polymeric pressure‐sensitive adhesives (PSAs) have now been synthesized by copolymerizing traditional PSA monomers, butyl acrylate and acrylic acid, with mussel‐inspired lysine‐ and aromatic‐rich monomers. The consequences of decoupling amino and catechol moieties from each other were compared (that is, incorporated as separate monomers) against a monomer architecture in which the catechol and amine were coupled together in a fixed orientation in the monomer side chain. Adhesion assays were used to probe performance at the molecular, microscopic, and macroscopic levels by a combination of AFM‐assisted force spectroscopy, peel and static shear adhesion. Coupling of catechols and amines in the same monomer side chain produced optimal cooperative effects in improving the macroscopic adhesion performance.
Mechanically Assisted Bioluminescence with Natural Luciferase
Authors: Schramm Stefan , Al‐Handawi Marieh B. , Karothu Durga Prasad , Kurlevskaya Anastasiya , Commins Patrick , Mitani Yasuo , Wu Chun , Ohmiya Yoshihiro , Naumov Panče 
Published: June 2020

AbstractMechanochemical analogues have recently been established for several enzymatic reactions, but they require periodic interruption of the reaction for sampling, dissolution, and (bio)chemical analysis to monitor their progress. By applying a mechanochemical procedure to induce bioluminescence analogous to that used by the marine ostracod Cypridina (Vargula) hilgendorfii, here we demonstrate that the light emitted by a bioluminescent reaction can be used to directly monitor the progress of a mechanoenzymatic reaction without sampling. Mechanical treatment of Cypridina luciferase with luciferin generates bright blue light which can be readily detected and analyzed spectroscopically. This mechanically assisted bioluminescence proceeds through a mechanism identical to that of bioluminescence in solution, but has higher activation energy due to being diffusion‐controlled in the viscous matrix. The results suggest that luciferases could be used as light‐emissive reporters of mechanoenzymatic reactions.
Inducing Social Self‐Sorting in Organic Cages To Tune The Shape of The Internal Cavity
Authors: Abet Valentina , Szczypiński Filip T. , Little Marc A. , Santolini Valentina , Jones Christopher D. , Evans Robert , Wilson Craig , Wu Xiaofeng , Thorne Michael F. , Bennison Michael J. , Cui Peng , Cooper Andrew I. , Jelfs Kim E. , Slater Anna G. 
Published: June 2020

AbstractMany interesting target guest molecules have low symmetry, yet most methods for synthesising hosts result in highly symmetrical capsules. Methods of generating lower symmetry pores are thus required to maximise the binding affinity in host–guest complexes. Herein, we use mixtures of tetraaldehyde building blocks with cyclohexanediamine to access low‐symmetry imine cages. Whether a low‐energy cage is isolated can be correctly predicted from the thermodynamic preference observed in computational models. The stability of the observed structures depends on the geometrical match of the aldehyde building blocks. One bent aldehyde stands out as unable to assemble into high‐symmetry cages‐and the same aldehyde generates low‐symmetry socially self‐sorted cages when combined with a linear aldehyde. We exploit this finding to synthesise a family of low‐symmetry cages containing heteroatoms, illustrating that pores of varying geometries and surface chemistries may be reliably accessed through computational prediction and self‐sorting.
The peridural membrane of the spine has characteristics of synovium
Authors: Bosscher Hemmo A. , Grozdanov Petar N. , Warraich Irfan I. , MacDonald Clinton C. , Day Miles R. 
Published: June 2020

AbstractThe peridural membrane (PDM) is a well‐defined structure between dura mater and the wall of the spinal canal. The spine may be viewed as a multi‐segmented joint, with the epidural cavity and neural foramina as joint spaces and PDM as synovial lining. The objective of this investigation was to determine if PDM has histological characteristics of synovium. Samples of the PDM of the thoraco‐lumbar spine were taken from 23 human cadavers and analyzed with conventional light microscopy and confocal microscopy. Results were compared to reports on similar analyses of synovium in the literature. Histological distribution of areolar, fibrous, and adipose connective tissue in PDM was similar to synovium. The PDM has an intima and sub‐intima. No basement membrane was identified. CD68, a marker for macrophage‐like‐synoviocytes, and CD55, a marker for fibroblast‐like synoviocytes, were seen in the lining and sub‐lining of the PDM. Multifunctional hyaluronan receptor CD44 and hyaluronic acid synthetase 2 marker HAS2 were abundantly present throughout the membrane. Marked presence of CD44, CD55, and HAS2 in the well‐developed tunica muscularis of blood vessels and in the body of the PDM suggests a role in the maintenance and lubrication of the epidural cavity and neural foramina. Presence of CD68, CD55, and CD44 suggests a scavenging function and a role in the inflammatory response to noxious stimuli. Thus, the human PDM has histological and immunohistochemical characteristics of synovium. This suggests that the PDM may be important for the homeostasis of the flexible spine and the neural structures it contains.
Quinoline‐based promising anticancer and antibacterial agents, and some metabolic enzyme inhibitors
Authors: Ökten Salih , Aydın Ali , Koçyiğit Ümit M. , Çakmak Osman , Erkan Sultan , Andac Cenk A. , Taslimi Parham , Gülçin İlhami 
Published: June 2020

AbstractA series of substituted quinolines was screened for their antiproliferative, cytotoxic, antibacterial activities, DNA/protein binding affinity, and anticholinergic properties by using the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide cell proliferation, lactate dehydrogenase cytotoxicity, and microdilution assays, the Wolfe–Shimmer equality method, the Ellman method, and the esterase assay, respectively. The results of the cytotoxic and anticancer activities of the compounds displayed that 6‐bromotetrahydroquinoline (2), 6,8‐dibromotetrahydroquinoline (3), 8‐bromo‐6‐cyanoquinoline (10), 5‐bromo‐6,8‐dimethoxyquinoline (12), the novel N‐nitrated 6,8‐dimethoxyquinoline (13), and 5,7‐dibromo‐8‐hydroxyquinoline (17) showed a significant antiproliferative potency against the A549, HeLa, HT29, Hep3B, and MCF7 cancer cell lines (IC50 = 2–50 μg/ml) and low cytotoxicity (∼7–35%) as the controls, 5‐fluorouracil and cisplatin. The compound–DNA linkages are hyperchromic or hypochromic, causing variations in their spectra. This situation shows that they can be bound to DNA with the groove‐binding mode, with Kb value in the range of 2.0 × 103–2.2 × 105 M–1. Studies on human Gram(+) and Gram(−) pathogenic bacteria showed that the substituted quinolines exhibited selective antimicrobial activities with MIC values of 62.50–250 μg/ml. All tested quinoline derivatives were found to be effective inhibitors of acetylcholinesterase (AChE) and the human carbonic anhydrase I and II isoforms (hCA I and II), with Ki values of 46.04–956.82 nM for hCA I, 54.95–976.93 nM for hCA II, and 5.51–155.22 nM for AChE. As a result, the preliminary data showed that substituted quinolines displayed effective pharmacological features. Molecular docking studies were performed to investigate the binding modes and interaction energies for compounds 2–17 with AChE (PDB ID: 4EY6), hCA I (PDB ID: 1BMZ), and hCA II (PDB ID: 2ABE).
Synthesis of Bifunctional Silsesquioxanes and Spherosilicates with Organogermyl Functionalities
Authors: Grzelak Magdalena , Marciniec Bogdan 
Published: June 2020

AbstractIn this paper we present the synthesis of mixed bifunctional compounds of T8H8 silsesquioxane and spherosilicate (HSiMe2O)8Si8O12 derivatives via platinum‐catalyzed hydrosilylation of alkenylgermanes and olefins. To the best of our knowledge, this is the first literature example of bifunctional compounds with organogermyl functionalities. Eleven mixed systems with a variety of substituents (Si−H, alkyl, germyl, epoxy, and hydroxy) were prepared and fully characterized by NMR spectroscopy. Additionally, our research includes a real‐time FT‐IR study of the synthesis of these bifunctional compounds of the general formula (R)8‐m(GeR’3(CH2)n+2R)mSi8O12. and (R’’(CH2)2R)8‐m(GeR’3(CH2)2R)mSi8O12 where m∼4.
Rapid and label‐free electrochemical DNA biosensor based on a facile one‐step electrochemical synthesis of rGO–PPy–(L‐Cys)–AuNPs nanocomposite for the HTLV‐1 oligonucleotide detection
Authors: Fani Mona , Rezayi Majid , Pourianfar Hamid R. , Meshkat Zahra , Makvandi Manoocher , Gholami Mehrdad , Rezaee Seyed Abdolrahim 
Published: June 2020

AbstractHuman T cell leukemia virus type 1 (HTLV‐1) as the first human retrovirus is currently a serious endemic health challenge. Despite the use of assorted molecular or serological assays for HTLV‐1 detection, there are several limitations due to the lack of a confirmatory test that may affect the accuracy of the results. Herein, a novel label‐free biosensor for the detection of HTLV‐1 Tax gene has been reported. An electrochemical facile ecofriendly synthesis method has been demonstrated based on a synthesis of nanocomposite of reduced graphene oxide, polypyrrole, and gold nanoparticles (rGO–PPy–(l‐Cys)–AuNPs) deposited on the surface of screen‐printed carbon electrode. Electrochemical techniques were used to characterize and study the electrochemical behavior of the rGO–PPy–(l‐Cys)–AuNPs, which exhibited a stable reference peak at 0.21 V associated with hybridization forms by applying the differential pulse voltammetry. The designed DNA biosensor presented a wide linear range from 0.1 fM to 100 µM and a low detection limit of 20 atto‐molar. The proposed biosensor presented in this study provides outstanding selectivity, sensitivity, repeatability, and reproducibility.
Zwei Praxisbeispiele zur Querkrafttragfähigkeit von Brückenplatten aus Textilbeton
Authors: Bielak Jan , Will Norbert , Hegger Josef 
Published: June 2020

AbstractTextilbewehrter Beton (TRC) bei Neubauteilen kombiniert Hochleistungstextilien mit einer neuen Generation hochfester Betone. Aufgrund der Korrosionsbeständigkeit der nichtmetallischen Bewehrung ist der Einsatz von TRC für Außenbauteile insbesondere bei Frost‐Tausalzbelastung vielversprechend. So können die Betondeckung und das Eigengewicht reduziert werden und die Herstellung schlanker Bauelemente sowie dünner Platten ohne zusätzliche Abdichtung oder Schutzbeläge ist möglich. Bei der Planung mehrerer Brücken im Remstal und in Ottenhöfen wurden theoretische Modelle und Erfahrungen aus Forschungsprojekten genutzt, um TRC‐Platten ohne Querkraftbewehrung einzusetzen. Begleitend zur Bauausführung wurden experimentelle Untersuchungen zur Querkrafttragfähigkeit durchgeführt, um die Qualität der Ausführung zu überprüfen und die Annahmen zu validieren. Der vorliegende Beitrag zeigt die Anwendungspotenziale sowie Herausforderungen für den Einsatz von TRC in Ingenieurbauwerken auf.
Scale‐Free Biology: Integrating Evolutionary and Developmental Thinking
Authors: Fields Chris , Levin Michael 
Published: June 2020

AbstractWhen the history of life on earth is viewed as a history of cell division, all of life becomes a single cell lineage. The growth and differentiation of this lineage in reciprocal interaction with its environment can be viewed as a developmental process; hence the evolution of life on earth can also be seen as the development of life on earth. Here, in reviewing this field, some potentially fruitful research directions suggested by this change in perspective are highlighted. Variation and selection become, for example, bidirectional information flows between scales, while the notions of “cooperation” and “competition” become scale relative. The language of communication, inference, and information processing becomes more useful than the language of causation to describe the interactions of both homogeneous and heterogeneous living systems at any scale. Emerging scale‐free theoretical frameworks such as predictive coding and active inference provide conceptual tools for reconceptualizing biology as the study of a unified, multiscale dynamical system.
Compound optimal allocations for survival clinical trials
Authors: Baldi Antognini Alessandro , Novelli Marco , Zagoraiou Maroussa , Vagheggini Alessandro 
Published: June 2020

AbstractThe aim of the present paper is to provide optimal allocations for comparative clinical trials with survival outcomes. The suggested targets are derived adopting a compound optimization strategy based on a subjective weighting of the relative importance of inferential demands and ethical concerns. The ensuing compound optimal targets are continuous functions of the treatment effects, so we provide the conditions under which they can be approached by standard response‐adaptive randomization procedures, also guaranteeing the applicability of the classical asymptotic inference. The operating characteristics of the suggested methodology are verified both theoretically and by simulation, including the robustness to model misspecification. With respect to the other available proposals, our strategy always assigns more patients to the best treatment without compromising inference, taking into account estimation efficiency and power as well. We illustrate our procedure by redesigning two real oncological trials.
Simultaneous quantitative determination of liraglutide and insulin degludec in rat plasma by liquid chromatography–tandem mass spectrometry method and its application
Authors: Zhai Jianping , Li Li , Dong Lihou , Dong Kelly , Xiang Shensi , Gui Luolan , Zhang Jiaying , Song Haifeng , Ge Zhiqiang 
Published: June 2020

AbstractA simple, fast and high‐throughput LC–tandem mass spectrometry method was developed and validated to simultaneously measure liraglutide and insulin degludec in rat plasma. After protein precipitation, plasma samples were subjected to gradient elution using an InertSustain Bio C18 column with 1000/20/1 water/acetonitrile/formic acid (v/v/v) and 1000/1 acetonitrile/formic acid (v/v) as the mobile phase. The method was validated from 1.00 to 500 ng/mL of liraglutide and insulin degludec. Further, the extraction recovery from the plasma was 41.8%–49.2% for liraglutide and 56.5%–69.7% for insulin degludec. Intra‐ and inter‐day precision of liraglutide was 3.5%–9.4% and 8.4%–9.8%, respectively, whereas its accuracy was between −12.6% and −1.3%. Intra‐ and inter‐day precision of insulin degludec was 5.2%–13.6% and 11.8%–19.1%, respectively, showing an accuracy between −3.0% and 9.9%. As a result, the method was successfully applied to a pharmacokinetics study of liraglutide and insulin degludec following a single‐dose subcutaneous administration to rats.
Identifying potential serum biomarkers of breast cancer through targeted free fatty acid profiles screening based on a GC–MS platform
Authors: Tan Binbin , Zhang Ying , Zhang Tiantian , He Jinsong , Luo Xueying , Bian Xiqing , Wu Jianlin , Zou Chang , Wang Yangzhi , Fu Li 
Published: June 2020

AbstractRecent advances suggest that abnormal fatty acid metabolism highly correlates with breast cancer, which provide clues to discover potential biomarkers of breast cancer. This study aims to identify serum free fatty acid (FFA) metabolic profiles and screen potential biomarkers for breast cancer diagnosis. Gas chromatography–mass spectrometry and our in‐house fatty acid methyl ester standard substances library were combined to accurately identify FFA profiles in serum samples of breast cancer patients and breast adenosis patients (as controls). Potential biomarkers were screened by applying statistical analysis. A total of 18 FFAs were accurately identified in serum sample. Two groups of patients were correctly discriminated by the orthogonal partial least squares–discriminant analysis model based on FFA profiles. Seven FFA levels were significantly higher in serum from breast cancer patients than that in controls, and exhibited positive correlation with malignant degrees of disease. Furthermore, five candidates (palmitic acid, oleic acid, cis‐8,11,14‐eicosatrienoic acid, docosanoic acid and the ratio of oleic acid to stearic acid) were selected as potential serum biomarkers for differential diagnosis of breast cancer. Our study will help to reveal the metabolic signature of FFAs in breast cancer patients, and provides valuable information for facilitating clinical noninvasive diagnosis.
Differences in the preferential location and invasiveness of diffuse low‐grade gliomas and their impact on outcome
Authors: Latini Francesco , Fahlström Markus , Hesselager Göran , Zetterling Maria , Ryttlefors Mats 
Published: June 2020

AbstractBackgroundLow‐grade gliomas (LGGs) are primary diffuse slow‐growing brain tumors derived from glial cells. The management of these tumors is dependent on their location, which often harbors eloquent areas. We retrospectively recorded the location of diffuse gliomas to identify whether specific differences exist between the histological types.MethodsWe analyzed 102 patients with previous histological diagnosis of WHO‐II astrocytomas (62) and WHO‐II oligodendrogliomas (40) according to WHO‐2016 classification. MRI sequences (T2‐FLAIR) were used for tumor volume segmentation and to create a frequency map of their locations within the Montreal Neurological Institute (MNI) space. The Brain‐Grid (BG) system (standardized radiological tool of intersected lines according to anatomical landmarks) was created and merged with a tractography atlas for infiltration analysis.ResultsAstrocytomas frequently infiltrated association and projection white matter pathways within fronto‐temporo‐insular regions on the left side. Oligodendrogliomas infiltrated larger white matter networks (association‐commissural‐projection) of the frontal lobe bilaterally. A critical number of infiltrated BG voxels (7 for astrocytomas, 10 for oligodendrogliomas) significantly predicted shorter overall survival (OS) in both groups. Bilateral tumor extension in astrocytomas and preoperative tumor volume in oligodendrogliomas were independent prognostic factors for shorter OS.ConclusionsAstrocytomas and oligodendrogliomas differ in preferential location, and this has an impact on the type and the extent of white matter involvement. The number of BG voxels infiltrated reflected different tumor invasiveness and its impact on OS in both groups. All this new information may be valuable in neurosurgical oncology to classify and plan treatment for patients with diffuse gliomas.
Transcatheter cerebral embolic protection during WATCHMAN procedure in two patients with persistent left atrial appendage thrombus: Case report with review of the literature
Authors: Tan Bryan E‐Xin , Depta Jeremiah P. 
Published: June 2020

AbstractPercutaneous left atrial appendage closure (LAAC) has been increasingly used in patients with atrial fibrillation who are poor candidates for long‐term oral anticoagulation. The presence of a left atrial appendage (LAA) thrombus is a contraindication for percutaneous LAAC. Despite oral anticoagulation, persistent thrombus is not uncommon. We describe the use of transcatheter cerebral embolic protection with the Sentinel cerebral protection system during LAAC using WATCHMAN in two atrial fibrillation patients who had persistent LAA thrombus despite oral anticoagulation.
Reduced Graphene Oxide Supported Ag Nanoparticles: An Efficient Catalyst for CO2 Conversion at Ambient Conditions
Authors: Zhang Xiao , Chen Kai‐Hong , Zhou Zhi‐Hua , He Liang‐Nian 
Published: June 2020

AbstractA highly efficient carboxylative cyclization of propargylic alcohols with CO2 under atmospheric pressure catalyzed by silver (0) nanoparticles decorated reduced graphene oxide (Ag‐rGO) is reported. Ag‐rGO was fully characterized by scanning electron microscope spectra (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FT‐IR) spectra, Raman spectra and X‐ray photoelectron spectroscopy (XPS). Notably, Ag‐rGO can be also applied to the construction of other value‐added chemicals (β‐oxopropylcarbamates and 2‐oxazolidinones) from CO2 at ambient conditions. In addition, Ag‐rGO is stable and reusable, which shows the potential for the practical application for CO2 capture and utilization (CCU).