bluuebunny/crossref_metadata_2025 huggingface dataset:
Selektive Katalyse für Polymerisationen mit Monomermischungen: Verwendung eines kommerziellen Cr‐Salen‐Katalysators zur Herstellung von ABA‐Blockpolyestern
Authors: Stößer Tim , Williams Charlotte K.
Published: March 2018

ABA‐Dreiblock‐Polyester werden mit einem kommerziellen Chrom‐Salen‐Katalysator aus Mischungen von Epoxiden, Anhydriden und Lactonen in einer Eintopfreaktion hergestellt. Die Katalyse ist hoch selektiv und ein einziger Katalysator wird in zwei verschiedenen Reaktionen verwendet. Zuerst tritt die ringöffnende Copolymerisation von Epoxid/Anhydrid auf und anschließend findet die ringöffnende Polymerisation des Lactons statt. Dies wird genutzt, um verschiedene neue ABA‐Polyesterpolyole herzustellen; diese Polyole können in weiteren Funktionalisierungen und Kettenverlängerungsreaktionen verwendet werden. Diese schaltbare Katalyse unter Verwendung eines kommerziellen Katalysators und gemischter Monomere könnte zukünftige Studien dieser neuen Klasse von Blockpolymeren ermöglichen.
Cobalt‐Catalyzed Tandem C−H Activation/C−C Cleavage/C−H Cyclization of Aromatic Amides with Alkylidenecyclopropanes
Authors: Li Mingliang , Kwong Fuk Yee
Published: March 2018

A cobalt‐catalyzed chelation‐assisted tandem C−H activation/C−C cleavage/C−H cyclization of aromatic amides with alkylidenecyclopropanes is reported. This process allows the sequential formation of two C−C bonds, which is in sharp contrast to previous reports on using rhodium catalysts for the formation of C−N bonds. Here the inexpensive catalyst system exhibits good functional‐group compatibility and relatively broad substrate scope. The desired products can be easily transformed into polycyclic lactones with m‐CPBA. Mechanistic studies revealed that the tandem reaction proceeds through a C−H cobaltation, β‐carbon elimination, and intramolecular C−H cobaltation sequence.
Hydroxyl‐Mediated Non‐oxidative Propane Dehydrogenation over VOx/γ‐Al2O3 Catalysts with Improved Stability
Authors: Zhao Zhi‐Jian , Wu Tengfang , Xiong Chuanye , Sun Guodong , Mu Rentao , Zeng Liang , Gong Jinlong
Published: March 2018

Supported vanadium oxides are one of the most promising alternative catalysts for propane dehydrogenation (PDH) and efforts have been made to improve its catalytic performance. However, unlike Pt‐based catalysts, the nature of the active site and surface structure of the supported vanadium catalysts under reductive reaction conditions still remain elusive. This paper describes the surface structure and the important role of surface‐bound hydroxyl groups on VOx / γ‐Al2O3 catalysts under reaction conditions employing in situ DRIFTS experiments and DFT calculations. It is shown that hydroxyl groups on the VOx /Al2O3 catalyst (V−OH) are produced under H2 pre‐reduction, and the catalytic performance for PDH is closely connected to the concentration of V−OH species on the catalyst. The hydroxyl groups are found to improve the catalyst that leads to better stability by suppressing the coke deposition.
Stimuli‐Responsive NO Release for On‐Demand Gas‐Sensitized Synergistic Cancer Therapy
Authors: Fan Wenpei , Yung Bryant C. , Chen Xiaoyuan
Published: March 2018

Featuring high biocompatibility, the emerging field of gas therapy has attracted extensive attention in the medical and scientific communities. Currently, considerable research has focused on the gasotransmitter nitric oxide (NO) owing to its unparalleled dual roles in directly killing cancer cells at high concentrations and cooperatively sensitizing cancer cells to other treatments for synergistic therapy. Of particular note, recent state‐of‐the‐art studies have turned our attention to the chemical design of various endogenous/exogenous stimuli‐responsive NO‐releasing nanomedicines and their biomedical applications for on‐demand NO‐sensitized synergistic cancer therapy, which are discussed in this Minireview. Moreover, the potential challenges regarding NO gas therapy are also described, aiming to advance the development of NO nanomedicines as well as usher in new frontiers in this fertile research area.
Calcium Fluoride Nanocrystals: Tracers for In Vivo 19F Magnetic Resonance Imaging
Authors: Ashur Idan , Allouche‐Arnon Hyla , Bar‐Shir Amnon
Published: March 2018

Inorganic nanocrystals (NCs) have been extensively developed for a variety of uses. The ability to obtain high‐resolution NMR signals from the core nuclei of NCs in solution could offer new opportunities in materials sciences and MR imaging. Herein, we demonstrate that small, water‐soluble 19F‐ionic NCs can average out homonuclear dipolar interactions, enabling one to obtain high‐resolution 19F NMR signals in solution that reflect the MR properties of F− in the crystal core. Decorating 19F‐NC surfaces with a biocompatible poly(ethylene glycol) coating maintains colloidal stability in water while preserving the NC high‐resolution 19F NMR properties, even after further functionalization. The high content and magnetic equivalence of the fluorides within the NCs enable their use as imaging tracers for in vivo 19F MRI by facilitating a “hot‐spot” display of their distribution.
Conformational Planarization versus Singlet Fission: Distinct Excited‐State Dynamics of Cyclooctatetraene‐Fused Acene Dimers
Authors: Yamakado Takuya , Takahashi Shota , Watanabe Kazuya , Matsumoto Yoshiyasu , Osuka Atsuhiro , Saito Shohei
Published: March 2018

A set of flapping acene dimers fused with an 8π cyclooctatetraene (COT) ring showed distinct excited‐state dynamics in solution. While the anthracene dimer showed a fast V‐shaped‐to‐planar conformational change within 10 ps in the lowest excited singlet state, reminding us of extended Baird aromaticity, the tetracene dimer and the pentacene dimer underwent intramolecular singlet fission (SF) in different manners: A fast and reversible SF with a characteristic delayed fluorescence (FL), and a fast and quantitative SF, respectively. Conformational flexibility of the fused COT linkage plays an important role in these ultrafast dynamics, demonstrating the utility of the flapping molecular series as a versatile platform for designing photofunctional systems.
Selective Etching of Silicon from Ti3SiC2 (MAX) To Obtain 2D Titanium Carbide (MXene)
Authors: Alhabeb Mohamed , Maleski Kathleen , Mathis Tyler S. , Sarycheva Asia , Hatter Christine B. , Uzun Simge , Levitt Ariana , Gogotsi Yury
Published: March 2018

Until now, MXenes could only be produced from MAX phases containing aluminum, such as Ti3AlC2. Here, we report on the synthesis of Ti3C2 (MXene) through selective etching of silicon from titanium silicon carbide—the most common MAX phase. Liters of colloidal solutions of delaminated Ti3SiC2‐derived MXene (0.5–1.3 mg mL−1) were produced and processed into flexible and electrically conductive films, which show higher oxidation resistance than MXene synthesized from Ti3AlC2. This new synthesis method greatly widens the range of precursors for MXene synthesis.
Influence of aging conditions on the mechanical properties and flame retardancy of HIPS composites
Authors: Wang Bibo , Zhao Kuimin , Zhang Yan , Tao Youji , Zhou Xia , Song Lei , Jie Ganxin , Hu Yuan
Published: March 2018

In this study, we evaluate the changes in physical properties and flame retardancy of HIPS composites after natural aging tests in Turpan (high sunlight radiation dose and dry) and Qionghai (high temperature and rainy) in China for 21 months. The HIPS composite aged in Turpan revealed a higher chromatic aberration than that in Qionghai due to the higher sunlight radiation dose. After aging tests for 21 months, the mechanical properties and the peak heat release of the HIPS composite aged in Qionghai decreased by more than 50% and increased by 39.7%, respectively, results that were worse than for the HIPS composite in aged Turpan. This was related to the combined effects of light, temperature, rain, and moisture in Qionghai leading to more severe degradation of HIPS composites, which results in breaking of the polymer chains and migration and erosion of the flame retardant. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46339.
Mechanical and water absorption behaviors of corn stalk/sisal fiber‐reinforced hybrid composites
Authors: Chen Juan , Zou Yu , Ge Heyi , Cui Zedong , Liu Shanshan
Published: March 2018

In this study, corn stalk flour (CSF) was used as filler instead of wood flour (WF) to prepare poly(vinyl chloride) (PVC) based wood plastic composite (WPC). In order to enhance the mechanical properties of the WPC, sisal fiber (SF) was introduced as reinforcer. The mechanical and the water absorption behaviors of WPC were investigated in detail. The results indicated that the chemical structure of CSF proved by FTIR was similar to that of WF. The effect of the hybridization of SF and CSF on the mechanical and water absorption behaviors of CSF/SF/PVC composite was studied. It was found that the introduction of SF of 5 mm in length resulted in improvement of the mechanical properties and had little effect on water absorption behavior. Scanning electron microscopy was carried out to observe the fracture surface of the composite. The distribution of CSF and SF in PVC was analyzed. Meanwhile, the hybrid enhancement mechanism of SF in PVC matrix was discussed. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46405.
Optimization of polyethylene binder for heterogeneous ion exchange membrane manufacture to improve its mechanical stability
Authors: Weinertová Kristýna , Křivčík Jan , Neděla David , Stránská Eliška , Václavíková Natália
Published: March 2018

Aim of this work is to propose polymer mixture for heterogeneous ion exchange membrane manufacture to improve membrane mechanical stability. Polyethylene (PE) binders [high‐density PE (HDPE), linear low‐density PE (LLDPE), metallocene‐linear low‐density PE (mLLDPE), and their mixtures in various ratios] with ion exchange resins were homogenized and extruded into membrane sheets. Processability of mixtures was considered using the data from extruder including torque and pressure before the extrusion die. Membrane samples were subjected to tensile deformation tests and tests of tear resistance and membrane electrochemical properties such as electrical resistance and permselectivity were measured. No significant variations in electrochemical properties of prepared membranes were observed, except of membrane made using pure mLLDPE as a binder. Surface resistance of this membrane was the highest (almost 8 Ω cm2) and as well the permselectivity (∼92%). The lowest surface resistance (lower than 3 Ω cm2) was determined for the membrane made using pure LLDPE as a binder. Therefore, taking into account the most important mechanical and processing characteristics, such as pressure before extrusion die, tensile strength, modulus of elasticity, and tear resistance assigning all these properties the same priority, membrane with the best combination of properties was prepared using the mixture of HDPE:LLDPE in the ratio of 80:20 as the binder. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46415.
Comments on the Serial Homology and Homologues of Vertebral Lateral Projections in Crocodylia (Eusuchia)
Authors: Gomes de Souza Lucy
Published: March 2018

The literature on crocodylian anatomy presents the transverse process in an ambiguous meaning, which could represent all lateral expansions derived from the neural arch, including vertebrae from cervical to caudal series, or in a more restrictive meaning, being applied only to lumbar vertebrae. The lateral expansion of sacral and caudal vertebrae usually referred to as the transverse process has been discovered to be fused ribs, bringing more ambiguity to this term. Therefore, with the lack of a definition for transverse process and other associated terms, the present work aims to propose a nomenclatural standardization, as well as definitions and biological meaning, for vertebral rib related structures. Vertebra obtained from museum collections from a total of 87 specimens of 22 species of all extant Crocodylia genera were studied. All vertebrae, except cervical and first three dorsal, exhibit transverse processes. The transverse process is more developed in dorsal and lumbar vertebrae than in sacral and caudal vertebrae in which it is suppressed by the fused ribs. The serial homology hypotheses here proposed can also be aplied to other Crurotarsi and saurischian dinosaurs specimens. This standardization clarifies the understand of the serial homology among those homotypes, and reduces the ambiguity and misleadings in future work comparisons. Anat Rec, 301:1203–1215, 2018. © 2018 Wiley Periodicals, Inc.
Synthesis, p38α MAP kinase inhibition, anti‐inflammatory activity, and molecular docking studies of 1,2,4‐triazole‐based benzothiazole‐2‐amines
Authors: Tariq Sana , Alam Ozair , Amir Mohammad
Published: March 2018

Recent studies have demonstrated that inhibition of p38α MAP kinase could effectively inhibit pro‐inflammatory cytokines including TNF‐α and interleukins. Thus, inhibition of this enzyme can prove greatly beneficial in the therapy of chronic inflammatory diseases. A new series of N‐[3‐(substituted‐4H‐1,2,4‐triazol‐4‐yl)]‐benzo[d]thiazol‐2‐amines (4a–n) were synthesized and subjected to in vitro evaluation for anti‐inflammatory activity (BSA anti‐denaturation assay) and p38α MAPK inhibition. Among the compounds selected for in vivo screening of anti‐inflammatory activity (4b, 4c, 4f, 4g, 4j, 4m, and 4n), compound 4f was found to be the most active with an in vivo anti‐inflammatory efficacy of 85.31% when compared to diclofenac sodium (83.68%). It was also found to have a low ulcerogenic risk and a protective effect on lipid peroxidation. The p38α MAP kinase inhibition of this compound (IC50 = 0.036 ± 0.12 μM) was also found to be superior to the standard SB203580 (IC50 = 0.043 ± 0.27 μM). Furthermore, the in silico binding mode of the compound on docking against p38α MAP kinase exemplified stronger interactions than those of SB203580.
Stable meso‐Aryl β‐Alkyl Hybrid Sapphyrin with a Warped π‐Conjugation Circuit and Neo‐Confused Sapphyrin–Silver(I) Complex
Authors: Mori Daiki , Yoneda Tomoki , Hoshino Tyuji , Neya Saburo
Published: March 2018

A meso‐aryl and β‐alkyl substituted sapphyrin and its rhodium(I) and silver complexes were synthesized. This sapphyrin was so stable that the non‐inverted and warped structure could be analyzed by X‐ray crystallography even in its neutral state. Its bis‐rhodium(I) complex has a more planar structure than the sapphyrin with enhanced aromaticity over the conjugation circuit. On the other hand, silver metalation of the sapphyrin caused a marked core rearrangement into a neo‐confused sapphyrin derivative with a C(α)−N bond and a twisted macrocycle.
Vom Betonbau zur Bauingenieurkunst
Authors: Dicleli Cengiz
Published: March 2018

Die Bauingenieure sind sich ihrer gesellschaftlichen Verantwortung bewusst, finden es jedoch unbefriedigend, dass ihr Anteil an der Baukultur weder ausreichend bekannt ist, noch gebührend gewürdigt wird. Der Beitrag gibt einen kurzen Überblick über diese Thematik und versucht die eigenen Defizite der Ingenieure aufzuspüren, die die Lösung des Problems erschweren. Am Beispiel von Ulrich Finsterwalder wird gezeigt, welche Haltung einer der großen Baumeister des zwanzigsten Jahrhunderts zum verantwortlichen und nachhaltigen Bauen, zur Ästhetik und Gestaltung und zur kreativen Zusammenarbeit mit Architekten eingenommen hatte.
Identification of Natural Products as Novel PI3Kβ Inhibitors Through Pharmacophore‐based Virtual Screening
Authors: Jin Xuemei , Kwon Woosun , Kim Tae Soo , Heo Jung‐Nyoung , Chung Hyun Cheol , Choi Jiwon , No Kyoung Tai
Published: March 2018

Phosphatidylinositol 3‐kinase beta (PI3Kβ) is the dominant isoform of PI3K and has been implicated in thrombosis as well as phosphatase and tensin homologue‐loss‐induced tumorigenesis. PI3Kβ has been considered to be an attractive target for anticancer drug discovery, and several PI3Kβ inhibitors have progressed into clinical trials. Here, we disclose the discovery of two natural products (PBY‐0002 and PBY‐0006) that have inhibitory effects on PI3Kβ. These two natural products were identified through pharmacophore‐based virtual screening, molecular docking, and a molecular dynamics simulation. Furthermore, an in vitro assay against human gastric cancer cell lines revealed that these two compounds showed anticancer activity. To identify the binding modes of PBY‐0002 and PBY‐0006 further, we performed a systematical investigation with comparison to the binding mode of GSK2636711, which is a known PI3Kβ inhibitor. The results demonstrated that PBY‐0002 and PBY‐0006 were tightly embedded into the ATP‐binding site via hydrogen bonds and π‐cation interactions. These two natural products can provide a promising starting point for the rational design of potent analogs with inhibitory activity against PI3Kβ.
A HILIC‐MS/MS method for simultaneous quantification of the lysosomal disease markers galactosylsphingosine and glucosylsphingosine in mouse serum
Authors: Sidhu Rohini , Mikulka Christina R. , Fujiwara Hideji , Sands Mark S. , Schaffer Jean E. , Ory Daniel S. , Jiang Xuntian
Published: March 2018

Deficiencies of galactosylceramidase and glucocerebrosidase result in the accumulation of galactosylsphingosine (GalSph) and glucosylsphingosine (GluSph) in Krabbe and Gaucher diseases, respectively. GalSph and GluSph are useful biomarkers for both diagnosis and monitoring of treatment effects. We have developed and validated a sensitive, accurate, high‐throughput assay for simultaneous determination of the concentration of GalSph and GluSph in mouse serum. GalSph and GluSph and their deuterated internal standards were extracted by protein precipitation in quantitative recoveries, baseline separated by hydrophilic interaction chromatography and detected by positive‐ion electrospray mass spectrometry in multiple reaction monitoring mode. Total run time was 7 min. The lower limit of quantification was 0.2 ng/mL for both GalSph and GluSph. Sample stability, assay precision and accuracy, and method robustness were demonstrated. This method has been successfully applied to measurement of these lipid biomarkers in a natural history study in twitcher (Krabbe) mice.
Quantification of cystine in human renal proximal tubule cells using liquid chromatography–tandem mass spectrometry
Authors: Jamalpoor Amer , Sparidans Rolf W. , Pou Casellas Carla , Rood Johannes J.M. , Joshi Mansi , Masereeuw Rosalinde , Janssen Manoe J.
Published: March 2018

Nephropathic cystinosis is characterized by abnormal intralysosomal accumulation of cystine throughout the body, causing irreversible damage to various organs, particularly the kidneys. Cysteamine, the currently available treatment, can reduce lysosomal cystine and postpone disease progression. However, cysteamine poses serious side effects and does not address all of the symptoms of cystinosis. To screen for new treatment options, a rapid and reliable high‐performance liquid chromatography–tandem mass spectrometry (HPLC‐MS/MS) method was developed to quantify cystine in conditionally immortalized human proximal tubular epithelial cells (ciPTEC). The ciPTEC were treated with N‐ethylmaleimide, lysed and deproteinized with 15% (w/v) sulfosalicylic acid. Subsequently, cystine was measured using deuterium‐labeled cystine‐D4, as the internal standard. The assay developed demonstrated linearity to at least 20 μmol/L with a good precision. Accuracies were between 97.3 and 102.9% for both cell extracts and whole cell samples. Cystine was sufficiently stable under all relevant analytical conditions. The assay was successfully applied to determine cystine levels in both healthy and cystinotic ciPTEC. Control cells showed clearly distinguishable cystine levels compared with cystinotic cells treated with or without cysteamine. The method developed provides a fast and reliable quantification of cystine, and is applicable to screen for potential drugs that could reverse cystinotic symptoms in human kidney cells.
Photobioreactor cultivation strategies for microalgae and cyanobacteria
Authors: Johnson Tylor J. , Katuwal Sarmila , Anderson Gary A. , Gu Liping , Zhou Ruanbao , Gibbons William R.
Published: March 2018

The current burden on fossil‐derived chemicals and fuels combined with the rapidly increasing global population has led to a crucial need to develop renewable and sustainable sources of chemicals and biofuels. Photoautotrophic microorganisms, including cyanobacteria and microalgae, have garnered a great deal of attention for their capability to produce these chemicals from carbon dioxide, mineralized water, and solar energy. While there have been substantial amounts of research directed at scaling‐up production from these microorganisms, several factors have proven difficult to overcome, including high costs associated with cultivation, photobioreactor construction, and artificial lighting. Decreasing these costs will substantially increase the economic feasibility of these production processes. Thus, the purpose of this review is to describe various photobioreactor designs, and then provide an overview on lighting systems, mixing, gas transfer, and the hydrodynamics of bubbles. These factors must be considered when the goal of a production process is economic feasibility. Targets for improving microalgae and cyanobacteria cultivation media, including water reduction strategies will also be described. As fossil fuel reserves continue to be depleted and the world population continues to increase, it is imperative that renewable chemical and biofuel production processes be developed toward becoming economically feasible. Thus, it is essential that future research is directed toward improving these processes. © 2018 American Institute of Chemical EngineersBiotechnol. Prog., 34:811–827, 2018
Deletion of the C26 Methyl Substituent from the Bryostatin Analogue Merle 23 Has Negligible Impact on Its Biological Profile and Potency
Authors: Zhao Xiguang , Kedei Noemi , Michalowski Alexandra , Lewin Nancy E. , Keck Gary E. , Blumberg Peter M.
Published: March 2018

Important strides are being made in understanding the effects of structural features of bryostatin 1, a candidate therapeutic agent for cancer and dementia, in conferring its potency toward protein kinase C and the unique spectrum of biological responses that it induces. A critical pharmacophoric element in bryostatin 1 is the secondary hydroxy group at the C26 position, with a corresponding primary hydroxy group playing an analogous role in binding of phorbol esters to protein kinase C. Herein, we describe the synthesis of a bryostatin homologue in which the C26 hydroxy group is primary, as it is in the phorbol esters, and show that its biological activity is almost indistinguishable from that of the corresponding compound with a secondary hydroxy group.
Exploring the efficacy of reintegrative shaming for non‐predatory offending
Authors: Fitch Chivon H. , Nazaretian Zavin , Himmel Devon
Published: March 2018

Background

Since Braithwaite advanced reintegrative shaming theory about 25 years ago, the theory has almost invariably been retested only in relation to predatory offending. Few studies have tested the relevance of the theory for non‐predatory offending.

Aim

This study aims to explore the utility of reintegrative shaming theory in explaining non‐predatory crimes. Our main research question was: is acknowledgement of shame apportioned by others associated with reduction in non‐predatory offending?

Methods

We used zero‐inflated negative binomial modelling to analyse data from a national, longitudinal, population‐based study of 1,726 adolescents.

Results

Overall, peer shame acknowledgement at age 18–21 was a significant predictor of no non‐predatory offending at ages 21–27. Contrary to our expectation, however, similar recognition and incorporation of parental shame was not related to absence of such offending.

Implications

Our findings add further weight to the validity of reintegrative shaming theory, showing its broader value explaining criminal behaviour—and desistance from it—beyond the original model.
Differences in rotational positioning and subsequent distal main branch rewiring of the Tryton stent: An optical coherence tomography and computational study
Authors: Grundeken Maik J. , Chiastra Claudio , Wu Wei , Wykrzykowska Joanna J. , De Winter Robbert J. , Dubini Gabriele , Migliavacca Francesco
Published: March 2018

Objectives

To evaluate the occurrence of rewiring through one of the panels of the Tryton stent (instead of the assumed re‐wiring in‐between the panels) and the influence on stent geometry and mechanics.

Background

Tryton is a side branch stent used in combination with a main branch device. It is placed without the need of rotational orientation. However, it is unknown whether main branch re‐wiring accidentally may occur through a panel, instead of in‐between the panels.

Methods

We used three‐dimensional optical coherence tomography to evaluate the location of distal main branch re‐wiring through Tryton. Furthermore, we used computer simulations to evaluate the influence on stent geometry and mechanics.

Results

Rewiring through a panel (instead of in‐between two panels) occurred in 45% of the cases. By using virtual stent deployment, we found minimal differences in ostial side branch stenoses (44.8% in‐between the panels and 39.0% through a panel). There were no differences in minimum stent areas of the distal main branch (6.38 mm2 vs. 6.39 mm2). In both scenarios, the re‐wired Tryton cell was large enough for main branch stenting (expressed as the diameter of the largest possible circle that fits within the cells): 3.40 mm (in‐between the panels) vs. 3.02 mm (through a panel).

Conclusions

In 45% of the Tryton implantations, distal main branch rewiring (and subsequent main branch stenting) was performed through one Tryton panel, instead of the assumed rewiring in‐between the panels. However, this did not result in unfavorable stent geometries or mechanics, as evaluated with computer simulations.
Coronary physiological assessment combining fractional flow reserve and index of microcirculatory resistance in patients undergoing elective percutaneous coronary intervention with grey zone fractional flow reserve
Authors: Niida Takayuki , Murai Tadashi , Yonetsu Taishi , Kanaji Yoshihisa , Usui Eisuke , Matsuda Junji , Hoshino Masahiro , Araki Makoto , Yamaguchi Masao , Hada Masahiro , Ichijyo Sadamitsu , Hamaya Rikuta , Kanno Yoshinori , Isobe Mitsuaki , Kakuta Tsunekazu
Published: March 2018

Objectives

The aim of this study is to investigate the association between fractional flow reserve (FFR) values and change in coronary physiological indices after elective percutaneous coronary intervention (PCI).

Background

Decision making for revascularization when FFR is 0.75–0.80 is controversial.

Methods

A retrospective analysis was performed of 296 patients with stable angina pectoris who underwent physiological examinations before and after PCI. To investigate the differences of coronary flow improvement between territories with low‐FFR (<0.75) and grey‐zone FFR (0.75–0.80), serial changes in physiological indices including mean transit time (Tmn), coronary flow reserve (CFR), and index of microcirculatory resistance (IMR) were compared between these two groups.

Results

Compared to low‐FFR territories, grey‐zone FFR territories showed significantly lower prevalence of Tmn shortening, CFR improvement, and decrease in IMR (Tmn shorting, 63.9% vs. 87.0%, P < .001; CFR improvement, 63.0% vs. 75.7%, P = .019; IMR decrease, 51.3% vs. 63.3%, P = .040) and lower extent of their absolute changes (Tmn shorting, 0.06 (–0.03 to 0.16) vs. 0.22 (0.07–0.45), P < .001; CFR improvement, 0.45 (–0.32 to 1.87) vs. 1.08 (0.02–2.44), P < .01; IMR decrease, 0.2 (–44.0 to 31.3) vs. 2.9 (–2.9 to 11.8), P = .022). Multivariate analysis showed that pre‐PCI IMR predicted improved coronary flow profile in both groups, whereas pre‐PCI FFR predicted increased coronary flow indices in low‐FFR territories.

Conclusions

Worsening of physiological indices after PCI was not uncommon in territories showing grey‐zone FFR. Physiological assessment combining FFR and IMR may help identify patients who may benefit by PCI, particularly those in the grey zone.
Internal Donors in Ziegler–Natta Systems: is Reduction by AlR3 a Requirement for Donor Clean‐Up?
Authors: Zaccaria Francesco , Vittoria Antonio , Correa Andrea , Ehm Christian , Budzelaar Peter H. M. , Busico Vincenzo , Cipullo Roberta
Published: March 2018

The front cover artwork for issue 5/2018 is provided by the Laboratory of Stereoselective Polymerizations, at the Department of Chemical Sciences, Federico II University of Naples, (Italy). The image shows the reaction deck of a glove‐box‐contained robotic platform used to investigate the chemisorption of Al‐alkyls and organic donors on the surface of Ziegler–Natta polypropylene catalysts. See the Full Paper itself at https://doi.org/10.1002/cctc.201701422.
Simultaneous construction of dual Borgen plots. II: Algorithmic enhancement for applications to noisy spectral data
Authors: Sawall Mathias , Moog Annekathrin , Kubis Christoph , Schröder Henning , Selent Detlef , Franke Robert , Brächer Alexander , Börner Armin , Neymeyr Klaus
Published: March 2018

Borgen plots are low‐dimensional representations of the set of all nonnegative factorizations of spectral data matrices. Classical Borgen plots are limited to nonnegative data and can be constructed for the spectral factor or for the concentration profiles. In the first part of this paper, a simultaneous construction of the two dual Borgen plots is presented, which intensively exploits the underlying duality principles. The second part introduces algorithmic enhancements which make the simultaneous Borgen plot construction possible for noisy experimental data matrices which can contain small negative matrix entries. The new method is tested for FT‐IR spectral data from the Rhodium catalyzed hydroformylation process. The results are compared to those by the FACPACK‐implementation of the polygon inflation method.
Oligonucleotide Length‐Dependent Formation of Virus‐Like Particles
Authors: Maassen Stan J. , de Ruiter Mark V. , Lindhoud Saskia , Cornelissen Jeroen J. L. M.
Published: March 2018

Understanding the assembly pathway of viruses can contribute to creating monodisperse virus‐based materials. In this study, the cowpea chlorotic mottle virus (CCMV) is used to determine the interactions between the capsid proteins of viruses and their cargo. The assembly of the capsid proteins in the presence of different lengths of short, single‐stranded (ss) DNA is studied at neutral pH, at which the protein–protein interactions are weak. Chromatography, electrophoresis, microscopy, and light scattering data show that the assembly efficiency and speed of the particles increase with increasing length of oligonucleotides. The minimal length required for assembly under the conditions used herein is 14 nucleotides. Assembly of particles containing such short strands of ssDNA can take almost a month. This slow assembly process enabled the study of intermediate states, which confirmed a low cooperative assembly for CCMV and allowed for further expansion of current assembly theories.
Advances in Cell Scaffolds for Tissue Engineering: The Value of Liquid Crystalline Elastomers
Authors: Martella Daniele , Parmeggiani Camilla
Published: March 2018

Recent discoveries evidenced that many cells organize into well‐aligned nematic domains, showing also their topological defects and suggesting the liquid crystalline order to be necessary for some biological functions. These evidences were described as the basis for the development of a new area of research in which polymeric liquid crystals were developed to exploit and promote cell adhesion and proliferation towards tissue regeneration. To address the requirements of tissue engineering, new biocompatible materials must be designed and synthesized to support cell adherence and growth together with nutrient transport under physiological condition. This Minireview presents a journey that, starting from the first discovery of liquid crystalline phases in biological (natural) materials with different structures and physical–chemical properties, will inform readers of the very recent application of liquid crystal polymeric materials as functional cell scaffolds to address current tissue engineering issues.
Electronic Transmutation (ET): Chemically Turning One Element into Another
Authors: Zhang Xinxing , Lundell Katie A. , Olson Jared K. , Bowen Kit H. , Boldyrev Alexander I.
Published: March 2018

The concept of electronic transmutation (ET) depicts the processes that by acquiring an extra electron, an element with the atomic number Z begins to have properties that were known to only belong to its neighboring element with the atomic number Z+1. Based on ET, signature compounds and chemical bonds that are composed of certain elements can now be designed and formed by other electronically transmutated elements. This Minireview summarizes the recent developments and applications of ET on both the theoretical and experimental fronts. Examples on the ET of Group 13 elements into Group 14 elements, Group 14 elements into Group 15 elements, and Group 15 elements into Group 16 elements are discussed. Compounds and chemical bonding composed of carbon, silicon, germanium, phosphorous, oxygen and sulfur now have analogues using transmutated boron, aluminum, gallium, silicon, nitrogen, and phosphorous.
Application of 19F quantitative NMR to pharmaceutical analysis
Authors: Mattes Allison O. , Russell David , Tishchenko Evgeny , Liu Yanzhou , Cichewicz Robert H. , Robinson Sarah J.
Published: March 2018

The presence of fluorine in an active pharmaceutical ingredient (API) can impart important pharmacological attributes with regards to metabolism, stability, and selectivity. As such, nearly one‐third of newly approved small molecule drugs contain at least one fluorine atom. 19F is 100% naturally abundant lending to virtually unimpeded detection of fluorine‐containing molecules, even in complex mixtures. Despite these promising characteristics, the thorough evaluation of a method for 19F qNMR (quantitative NMR) has been lacking. Herein we present experimental methodology and optimized parameters for uniform quantitative sampling of fluorine‐containing drugs and we compare results obtained using both gravimetric and absolute concentration methods for data reduction.
Development of the functional social network index for adolescent and young adult cancer survivors
Authors: Huang I‐Chan , Jones Conor M. , Brinkman Tara M. , Hudson Melissa M. , Srivastava D. Kumar , Li Yuelin , Robison Leslie L. , Krull Kevin R.
Published: March 2018

BACKGROUND

To the authors' knowledge, social network status in adolescent and young adult (AYA) cancer survivors has not been adequately studied to date. The authors developed and validated a functional social network index (FSNI) for AYA survivors, and compared its performance with that of 2 traditional indices (density and betweenness centrality).

METHODS

A total of 102 AYA survivors and 102 noncancer controls who were matched for age, sex, and race were recruited from an Internet panel. Each participant reported relationships with up to 25 close friends and/or relatives. The authors developed a FSNI with reported marital status, contact frequency with friends/relatives, available resources for emotional and tangible support, and available resources for physical activity and weight management advice. Linear regression was used to analyze associations between the FSNI and cancer diagnoses, treatments, and coping skills.

RESULTS

Based on the FSNI, survivors were found to have more available resources for emotional support (beta [b] = 3.02; P = .003), tangible support (b = 4.17; P<.001), physical activity advice (b = 3.94; P<.001), and weight management advice (b = 4.10; P<.001) compared with noncancer controls. Survivors of lymphoma had the largest FSNI, whereas survivors of central nervous system malignancies had the smallest (b = 2.77; P = .02). A higher FSNI was associated with better coping skills: less denial (b = 0.10; P = .01), using emotional support (b = 0.08; P = .04), using instrumental support (b = 0.12; P<.001), less behavioral disengagement (b = 0.08; P = .04), venting of emotions (b = 0.10; P = .004), positive reframing (b = 0.12; P = .003), planning for the future (b = 0.08; P = .03), and religious engagement (b = 0.16; P<.001). Density and betweenness centrality indices demonstrated neither significant differences in social networks between cancer survivors and controls (all P values >.05) nor significant associations with coping skills (all P values >.05).

CONCLUSIONS

The FSNI appears to provide a better social network assessment for AYA cancer survivors than traditional indices. Cancer 2018;124:2220‐7. © 2018 American Cancer Society.
New insights from continuous glucose monitoring into the route to diabetes
Authors: Colas Ana , Vigil Luis , Rodríguez de Castro Carmen , Vargas Borja , Varela Manuel
Published: March 2018

Aim

Type 2 diabetes mellitus (T2DM) is preceded by a period of impaired glucoregulation. We investigated if continuous glucose monitoring system (CGMS) (1) could improve our capacity to predict the development of T2DM in subjects at risk. (2) Find out if impaired fasting glucose/impaired glucose tolerance differentiation through CGMS would also elucidate differences in clinical phenotypes.

Material and methods

Observational study of 209 hypertensive patients, aged 18 to 85 years who wore at entry a CGMS. Two CGMS metrics, percent of time under the 100 mg/dL glycaemic threshold (TU100) (impaired fasting glucose surrogate phenotype) and area above the 140 mg/dL glycemic threshold (AO140) (impaired glucose tolerance surrogate phenotype) were measured. The median follow‐up was 32 months (6‐72 mo), and there were 17 new cases of T2DM.

Results

In a multivariate Cox proportional hazard survival analysis including the conventional prediabetes‐defining criteria and the 2 CGMS‐derived variables, only TU100 and HbA1c were significant and independent variables in predicting T2DM development. An increase in 0.1 in TU100 resulted in a 0.69 (95% CI, 0.54‐0.88; P < .01) odds ratio of developing T2DM. With cut‐off points of 0.5 for TU100 and 5.7% for HbA1c, the test “TU < 0.5 and HbA1c > 5.7%” had a sensitivity of 0.81 (SD, 0.10), a specificity of 0.83 (SD, 0.03), and a likelihood ratio of 4.82 (SD, 1.03) for T2DM development.

Conclusions

Continuous glucose monitoring system allows for a better T2DM risk‐development categorization than fasting glucose and HbA1c in a high‐risk population. Continuous glucose monitoring system–derived phenotyping reveals clinical differences, not disclosed by conventional fasting plasma glucose/HbA1c categorization. These differences may correlate with distinct pathophysiological mechanisms.
Neuregulin‐1 is a chemoattractant and chemokinetic molecule for trunk neural crest cells
Authors: De Bellard Maria Elena , Ortega Blanca , Sao Sothy , Kim Lino , Herman Joshua , Zuhdi Nora
Published: March 2018

Background: Trunk neural crest cells migrate rapidly along characteristic pathways within the developing vertebrate embryo. Proper trunk neural crest cell migration is necessary for the morphogenesis of much of the peripheral nervous system, melanocytes, and the adrenal medulla. Numerous molecules help guide trunk neural crest cell migration throughout the early embryo. Results: The trophic factor NRG1 is a chemoattractant through in vitro chemotaxis assays and in vivo silencing via a DN‐erbB receptor. Interestingly, we also observed changes in migratory responses consistent with a chemokinetic effect of NRG1 in trunk neural crest velocity. Conclusions: NRG1 is a trunk neural crest cell chemoattractant and chemokinetic molecule. Developmental Dynamics 247:888–902, 2018.. © 2018 Wiley Periodicals, Inc.
Self‐objectification and disordered eating: A meta‐analysis
Authors: Schaefer Lauren M. , Thompson J. Kevin
Published: March 2018

Objective

Objectification theory posits that self‐objectification increases risk for disordered eating.

Method

The current study sought to examine the relationship between self‐objectification and disordered eating using meta‐analytic techniques.

Results

Data from 53 cross‐sectional studies (73 effect sizes) revealed a significant moderate positive overall effect (r = .39), which was moderated by gender, ethnicity, sexual orientation, and measurement of self‐objectification. Specifically, larger effect sizes were associated with female samples and the Objectified Body Consciousness Scale. Effect sizes were smaller among heterosexual men and African American samples. Age, body mass index, country of origin, measurement of disordered eating, sample type and publication type were not significant moderators.

Discussion

Overall, results from the first meta‐analysis to examine the relationship between self‐objectification and disordered eating provide support for one of the major tenets of objectification theory and suggest that self‐objectification may be a meaningful target in eating disorder interventions, though further work is needed to establish temporal and causal relationships. Findings highlight current gaps in the literature (e.g., limited representation of males, and ethnic and sexual minorities) with implications for guiding future research.
Implications of DSM‐5 for the diagnosis of pediatric eating disorders
Authors: Limburg Karina , Shu Chloe Y. , Watson Hunna J. , Hoiles Kimberley J. , Egan Sarah J.
Published: March 2018

Objective

The aim of the study was to compare the DSM‐IV, DSM‐5, and ICD‐10 eating disorders (ED) nomenclatures to assess their value in the classification of pediatric eating disorders. We investigated the prevalence of the disorders in accordance with each system's diagnostic criteria, diagnostic concordance between the systems, and interrater reliability.

Method

Participants were 1062 children and adolescents assessed at intake to a specialist Eating Disorders Program (91.6% female, mean age 14.5 years, SD = 1.75). Measures were collected from routine intake assessments.

Results

DSM‐5 categorization led to a lower prevalence of unspecified EDs when compared with DSM‐IV. There was almost complete overlap for specified EDs. Kappa values indicated almost excellent agreement between the two coders on all three diagnostic systems, although there was higher interrater reliability for DSM‐5 and ICD‐10 when compared with DSM‐IV.

Discussion

DSM‐5 nomenclature is useful in classifying eating disorders in pediatric clinical samples.
Large effect quantitative trait loci for salicinoid phenolic glycosides in Populus: Implications for gene discovery
Authors: Woolbright Scott A. , Rehill Brian J. , Lindroth Richard L. , DiFazio Stephen P. , Martinsen Gregory D. , Zinkgraf Matthew S. , Allan Gerard J. , Keim Paul , Whitham Thomas G.
Published: March 2018

Genomic studies have been used to identify genes underlying many important plant secondary metabolic pathways. However, genes for salicinoid phenolic glycosides (SPGs)—ecologically important compounds with significant commercial, cultural, and medicinal applications—remain largely undescribed. We used a linkage map derived from a full‐sib population of hybrid cottonwoods (Populus spp.) to search for quantitative trait loci (QTL) for the SPGs salicortin and HCH‐salicortin. SSR markers and primer sequences were used to anchor the map to the V3.0 P. trichocarpa genome. We discovered 21 QTL for the two traits, including a major QTL for HCH‐salicortin (R2 = .52) that colocated with a QTL for salicortin on chr12. Using the V3.0 Populus genome sequence, we identified 2,983 annotated genes and 1,480 genes of unknown function within our QTL intervals. We note ten candidate genes of interest, including a BAHD‐type acyltransferase that has been potentially linked to PopulusSPGs. Our results complement other recent studies in Populus with implications for gene discovery and the evolution of defensive chemistry in a model genus. To our knowledge, this is the first study to use a full‐sib mapping population to identify QTL intervals and gene lists associated with SPGs.
Drought and irrigation affect transpiration rate and morning tree water status of a mature European beech (Fagus sylvatica L.) forest in Central Europe
Authors: Nalevanková Paulína , Ježík Marek , Sitková Zuzana , Vido Jaroslav , Leštianska Adriana , Střelcová Katarína
Published: March 2018

Severity and frequency of recurrent droughts is likely to be amplified by recent climate changes and may adversely affect large areas of temperate forests. This study addresses the ecophysiological responses of a mature beech forest in Central Europe (Slovakia, 450 m a.s.l.) exposed to drought during the growing seasons of 2012–2014. Sap flow and stem circumference changes of European beech (Fagus sylvatica L.) were measured in two contrasting treatments (drought vs. irrigation). Limited water availability reflected in the morning tree water status (morning stem contraction, ΔW) significantly reduced transpiration. Trees stressed by drought in the years 2012 and 2013 showed remarkably lower values of morning ΔW than those in the irrigated group. This suggests (a) lower water potential of the stem‐conducting tissues and (b) increased use of internally stored water to maintain daily transpiration. Additionally, morning ΔW showed a close relationship with soil water potential, particularly in the nonirrigated trees. Potential evapotranspiration (PET) explained less variability in the transpiration of the control stand than that of the irrigated stand. The use of a simple analysis of covariance model comprising morning ΔW and PET interaction significantly increased the explained variability in transpiration in the control stand. Morning ΔW of mature beech trees seems to be a useful and easily obtainable non‐invasive bioindicator of their ability to reduce and regulate transpiration in relation to atmospheric evaporative demands in response to drought.
Facile Controlled Growth of Podetium‐Like MnO2 Crystals and the Catalytic Effect of MnO2/N‐Doped Graphene on the Oxygen Reduction Reaction
Authors: Chai Hui , Wei Maoping , Su Ying , Wang Yucheng , Jia Dianzeng , Sun Zhipeng , Zhou Wanyong
Published: March 2018

The facile synthesis of MnO2 crystals with a controllable structure was achieved through a simple hydrothermal reaction. The MnO2 grew to form a quasicolumnar shape with a structure that can be controlled through the simple variation of the pH during the synthesis. This control strategy could be applied to other solvents to obtain materials with unique structures. Furthermore, composites of the as‐synthesized hollow MnO2 with N‐doped graphene (rGN) are electrocatalysts for the oxygen reduction reaction under mild conditions. The electrocatalysts were characterized through X‐ray diffraction, Raman spectroscopy, X‐ray photoelectron spectroscopy, scanning electron microscopy, and electrochemical measurements. The prepared composite exhibited excellent catalytic performance as well as improved durability and tolerance to methanol relative to those of a commercial catalyst (20 wt.‐% Pt/C); thus, such materials show potential for application as electrocatalysts.
Chemoenzymatic Synthesis of Luliconazole Mediated by Lipases
Authors: Fonseca Thiago de S. , Lima Lara D. , de Oliveira Maria da C. F. , de Lemos Telma L. G. , Zampieri Davila , Molinari Francesco , de Mattos Marcos C.
Published: March 2018

A straightforward chemoenzymatic synthesis of luliconazole has been developed. The key step involved the preparation of the enantiomerically pure β‐halohydrin (1S)‐2‐chloro‐1‐(2,4‐dichlorophenyl)‐1‐ethanol through kinetic resolution of the corresponding racemic acetate. This was achieved by a hydrolytic approach, mediated by the lipase from Thermomyces lanuginosus or Novozym 435®. The latter enzyme proved to be a robust biocatalyst for the kinetic resolution, and the (S)‐β‐halohydrin was obtained with high selectivity (ee > 99 %, E > 200) after just 15 min, at 45 °C. It could be reused five times with maintenance of high values of both conversion and enantioselectivity. Subsequently, the (S)‐β‐halohydrin was subjected to a mesylation reaction; the mesylated derivative reacted with 1‐cyanomethylimidazole in the presence of CS2 to give luliconazole in 43 % yield with >99 % ee.