bluuebunny/crossref_metadata_2025 huggingface dataset:
The Effects of Exposed Specific Facets and Sulfation on the Surface Acidity of Cu2O Solids
Authors: Wu Yanan , Huang Daofeng , Fu Yingyi , Zhang Li , Liu Shixi , Tang Gangfeng , Ren Yuanhang , Ye Lin , Chen Xueying , Yue Bin , He Heyong
Published: September 2019

Cuprous oxide microcrystals with {111}, {111}/{100}, and {100} exposed facets were synthesized. 31P MAS NMR using trimethylphosphine as the probe molecule was employed to study the acidic properties of samples. It was found that the total acidic density of samples increases evidently after sulfation compared with the pristine cuprous oxide microcrystals. During sulfation, new {100} facets are formed at the expense of {111} facets and lead to the generation of two Lewis acid sites due to the different binding states of SO42− on {111} and {100} facets. Moreover, DFT calculation was used to illustrate the binding models of SO42− on {111} and {100} facets. Also, a Pechmann condensation reaction was applied to study the acidic catalytic activity of these samples. It was found that the sulfated {111} facet has better activity due to its higher Lewis acid density compared with the sulfated {100} facet.
Tunable Fullerene Affinity of Cages, Bowls and Rings Assembled by PdII Coordination Sphere Engineering
Authors: Chen Bin , Horiuchi Shinnosuke , Holstein Julian J. , Tessarolo Jacopo , Clever Guido H.
Published: September 2019

For metal‐mediated host compounds, the development of strategies to reduce symmetry and introduce multiple functionalities in a non‐statistical way is a challenging task. We show that the introduction of steric stress around the coordination environment of square‐planar PdII cations and bis‐monodentate nitrogen donor ligands allows to control the size and shape of the assembled product, from [Pd2L4] cages over [Pd2L3] bowl‐shaped structures to [Pd2L2] rings. Therefore, banana‐shaped ligand backbones were equipped with pyridines, two different quinoline isomers and acridine, the latter three introducing steric congestion through hydrogen substituents on annelated benzene rings. Differing behavior of the four resulting hosts towards the binding of C60 and C70 fullerenes was studied and related to structural differences by NMR spectroscopy, mass spectrometry and single crystal X‐ray diffraction. The three cages based on pyridine, 6‐quinoline or 3‐quinoline donors were found to either bind C60, C70 or no fullerene at all.
Twisting the TAPPs: Bay‐Substituted Non‐planar Tetraazapero‐pyrenes and their Reduced Anions
Authors: Günther Benjamin A. R. , Höfener Sebastian , Zschieschang Ute , Wadepohl Hubert , Klauk Hagen , Gade Lutz H.
Published: September 2019

A new synthesis of tetraazaperopyrenes (TAPPs) starting from a halogenated perylene derivative 3,4,9,10‐ tetrabromo‐1,6,7,12‐tetrachloroperylene (1) gave access to bay‐substituted TAPPs for the first time. Selective lithiation of the bromine‐positions and subsequent addition of tosyl azide led to the formation of the tetraazidotetrachloroperylene (2), which was subsequently reduced by addition of sodium borohydride to the corresponding tetraaminotetrachloroperylene (3). Oxidation to its semiquinoidal form 4 and subsequent cyclization with acid chlorides gave rise to a series of bay‐chlorinated TAPPs. Whereas the aromatic core of the previously studied ortho‐substituted TAPPs was found to be planar, the steric pressure of the two chlorine substituents on each side leads to the twist of the peropyrene core of approximately 30 degrees, a structural feature also observed in other bay‐substituted perylene derivatives. An experimental and computational analysis reveals that introducing chloride substituents at these positions leads to slightly increased electron affinities (EA) enabling the selective generation and characterization of the reduced mono‐anionic radicals and closed shell di‐anionic species. These anions were isolated and characterized by UV/Vis spectroscopy and EPR or NMR, respectively. Processing of the bay‐chlorinated TAPPs in n‐channel organic TFTs revealed electron mobilities of 0.001 to 0.003 cm2 V−1 s−1. These reduced electron mobilities compared to the ortho‐halogenated TAPPs are thought to be rooted in the less densely packed solid‐state structures.
Synthesis of Anthracene Derivatives with Azaacene‐Containing Iptycene Wings and the Utilization as a Dopant for Solution‐Processed Organic Light‐Emitting Diodes
Authors: Hayashi Hironobu , Kato Yuki , Matsumoto Akinobu , Shikita So , Aizawa Naoya , Suzuki Mitsuharu , Aratani Naoki , Yasuda Takuma , Yamada Hiroko
Published: September 2019

Substituted acene derivatives are regarded as promising materials for organic electronic devices such as organic light‐emitting diodes (OLEDs). In particular, anthracene derivatives are known to exhibit good fluorescence property, with the air stability and solubility in common organic solvents expected to give advantages for solution‐processed device fabrication. In this study, a series of bistriisopropylsilyl(TIPS)ethynyl anthracene derivatives with azaacene‐containing iptycene wings have been synthesized by using condensation reactions. Effects of size of azaacenes on optical properties and packing structures were investigated. UV/Vis absorption and fluorescence spectra indicate that the π‐elongation of iptycene units has small effects on the overall π‐system, which is also supported by electrochemical measurements. Secondly, single‐crystal X‐ray analysis implies that the molecules likely have interactions with the iptycene units of adjacent molecules, while the iptycene wings and TIPSethynyl groups can prevent the central anthracene unit from undesirable non‐radiative energy loss. Finally, the most emissive derivative was used as a dopant for solution‐processed OLEDs, showing obvious electroluminescence with a luminance of over 920 cd m−2.
Computer Modelling and Synthesis of Deoxy and Monohydroxy Analogues of a Ribitylaminouracil Bacterial Metabolite that Potently Activates Human T Cells
Authors: Ler Geraldine J. M. , Xu Weijun , Mak Jeffrey Y. W. , Liu Ligong , Bernhardt Paul V. , Fairlie David P.
Published: September 2019

5‐(2‐Oxopropylideneamino)‐6‐d‐ribitylaminouracil (5‐OP‐RU) is a natural product formed during bacterial synthesis of vitamin B2. It potently activates mucosal associated invariant T (MAIT) cells and has immunomodulatory, inflammatory, and anticancer properties. This highly polar and unstable compound forms a remarkably stable Schiff base with a lysine residue in major histocompatibility complex class I–related protein (MR1) expressed in antigen‐presenting cells. Inspired by the importance of the ribityl moiety of 5‐OP‐RU for binding to both MR1 and the T cell receptor (TCR) on MAIT cells, each OH was removed in silico. DFT calculations and MD simulations revealed a very stable hydrogen bond between the C3′−OH and uracil N1H, which profoundly restricts flexibility and positioning of each ribityl‐OH, potentially impacting their interactions with MR1 and TCR. By using deoxygenation strategies and kinetically controlled imine formation, four monodeoxyribityl and four monohydroxyalkyl analogues of 5‐OP‐RU were synthesised as new tools for probing T cell activation mechanisms.
Synthesis of Functionalized Tetrahydropyridines by SnCl4‐Mediated [4+2] Cycloaddition between Donor–Acceptor Cyclobutanes and Nitriles
Authors: Tong David , Wu Jackie , Bazinski Nathan , Koo Donghyun , Vemula Naresh , Pagenkopf Brian L.
Published: September 2019

Cycloadditions of strained carbocycles promoted by Lewis acids are powerful methods to construct heterocyclic frameworks. In fact, the formal [3+2] cycloadditions of donor–acceptor (DA) cyclopropanes with nitriles has seen particular success in synthesis. In this work, we report on the first [4+2] cycloaddition of nitriles with DA cyclobutanes by Lewis acid activation. Tetrahydropyridine derivatives were obtained in up to 91 % yield from various aryl‐activated cyclobutane diesters and aliphatic or aromatic nitriles.
Pep‐Lipid Cubosomes and Vesicles Compartmentalized by Micelles from Self‐Assembly of Multiple Neuroprotective Building Blocks Including a Large Peptide Hormone PACAP‐DHA
Authors: Angelova Angelina , Drechsler Markus , Garamus Vasil M. , Angelov Borislav
Published: September 2019

Structural control over design and formation of self‐assembled nanomaterials for neuroprotection and neuroregeneration is crucial for their application in nanomedicine. Here a synthetic construct of the pituitary adenylate cyclase‐activating polypeptide (PACAP38) coupled to a docosahexaenoic acid (DHA: an ω‐3 polyunsaturated fatty acid (PUFA)) is designed towards the creation of compartmentalized liquid crystalline assemblies of neuroprotective compounds. The hormone PACAP38 is a ligand of the class B PAC1 G‐protein‐coupled receptor (GPCR), whereas DHA is a lipid trophic factor. The lipidated peptide PACAP‐DHA is co‐assembled into hierarchical nanostructures elaborated from hybrid vesicle‐micelle reservoirs as well into PEGylated cubosomes composed of multiple neuroprotective building blocks. The resulting nanostructures are determined by synchrotron small‐angle X‐ray scattering (BioSAXS) and cryogenic transmission electron microscopy (cryo‐TEM). Multicompartment topologies are obtained in a two‐fold approach: (i) intriguing compartmentalized vesicles, which embed pep‐lipid micelles forming nanopatterns, and (ii) multidomain pep‐lipid cubosomes. Both kinds of topologies are favorable for sustained‐release applications in combination therapies of neurodegeneration. The organizational complexity of the scaffolds involving the lipidated high‐molecular weight peptide hormone is beyond the one that has been reached with small lipid‐like peptide surfactants.
Building Blocks for High‐Efficiency Organic Photovoltaics: Interplay of Molecular, Crystal, and Electronic Properties in Post‐Fullerene ITIC Ensembles
Authors: Swick Steven M. , Gebraad Tim , Jones Leighton , Fu Bo , Aldrich Thomas J. , Kohlstedt Kevin L. , Schatz George C. , Facchetti Antonio , Marks Tobin J.
Published: September 2019

Accurate single‐crystal X‐ray diffraction data offer a unique opportunity to compare and contrast the atomistic details of bulk heterojunction photovoltaic small‐molecule acceptor structure and packing, as well as provide an essential starting point for computational electronic structure and charge transport analysis. Herein, we report diffraction‐derived crystal structures and computational analyses on the n‐type semiconductors which enable some of the highest efficiency organic solar cells produced to date, 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(4‐hexylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (ITIC) and seven derivatives (including three new crystal structures: 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(4‐propylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (ITIC‐C3), 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(3‐hexylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (m‐ITIC‐C6), and 3,9‐bis(2‐methylene‐((3‐(1,1‐dicyanomethylene)‐6,7‐difluoro)‐indanone))‐5,5,11,11‐tetrakis(4‐butylphenyl)‐dithieno[2,3‐d:2′,3′‐d′]‐s‐indaceno[1,2‐b:5,6‐b′]dithiophene (ITIC‐C4‐4F). IDTT acceptors typically pack in a face‐to‐face fashion with π–π distances ranging from 3.28–3.95 Å. Additionally, edge‐to‐face packing is observed with S⋯π interactions as short as 3.21–3.24 Å. Moreover, ITIC end group identities and side chain substituents influence the nature and strength of noncovalent interactions (e. g. H‐bonding, π–π) and thus correlate with the observed packing motif, electronic structure, and charge transport properties of the crystals. Density functional theory (DFT) calculations reveal relatively large nearest‐neighbor intermolecular π‐π electronic couplings (5.85–56.8 meV) and correlate the nature of the band structure with the dispersion interactions in the single crystals and core–end group polarization effects. Overall, this combined experimental and theoretical work reveals key insights into crystal engineering strategies for indacenodithienothiophene (IDTT) acceptors, as well as general design rules for high‐efficiency post‐fullerene small molecule acceptors.
Modified Graphitic Carbon Nitride Nanosheets for Efficient Photocatalytic Hydrogen Evolution
Authors: Zhou Xunfu , Zhu Yating , Gao Qiongzhi , Zhang Shengsen , Ge Chunyu , Yang Siyuan , Zhong Xinhua , Fang Yueping
Published: September 2019

Considerable research efforts have been devoted to develop noble‐metal‐free cocatalysts coupled with semiconductors for highly efficient photocatalytic H2 evolution as part of the challenge toward solar‐to‐fuel conversion. Herein, a new cocatalyst with excellent activity in the electrocatalytic H2 evolution reaction (HER) that is based on Co sheathed in N‐doped graphitic carbon nanosheets (Co@NC) was fabricated by a surfactant‐assisted pyrolysis approach and then coupled with g‐C3N4 nanosheets to construct a 2 D‐2 D g‐C3N4/Co@NC composite photocatalyst by a simple grinding method. As a result of advantages in effective electrocatalytic HER activity, suitable electronic band structure, and rapid interfacial charge transfer brought about by the 2 D‐2 D spatial configuration, the g‐C3N4/Co@NC photocatalyst that contained 4 wt % Co@NC presented a high photocatalytic H2 generation rate of 15.67 μmol h−1 under visible‐light irradiation (λ≥400 nm), which was 104.5 times higher than that of pristine g‐C3N4. The optimum g‐C3N4/Co@NC photocatalyst showed a high apparent quantum efficiency of 10.82 % at λ=400 nm.
Community carbon and water exchange responses to warming and precipitation enhancement in sandy grassland along a restoration gradient
Authors: Luo Yayong , Zuo Xiaoan , Li Yulin , Zhang Tonghui , Zhang Rui , Chen Juanli , Lv Peng , Zhao Xueyong
Published: September 2019

Temperature increasing and precipitation alteration are predicted to occur in arid and semiarid lands; however, the response mechanism of carbon and water exchange at community level is still unclear in semiarid sandy land. We investigated the responses of carbon and water exchanges to warming and precipitation enhancement along a sand dune restoration gradient: mobile sand dunes (MD), semifixed sand dunes (SFD), and fixed sand dunes (FD). The average net ecosystem productivity (NEP) and evapotranspiration (ET) between May and August increased by 98% and 59%, respectively, from MD to SFD, while they had no significant differences between FD and the other two habitats. Warming inhibited ecosystem NEP, ET, and water use efficiency (WUE) by 69%, 49% (p < .001), and 80%, respectively, in SFD, while it nearly had no significant effects in MD and FD. However, precipitation addition by 30% nearly had no significant effects on community NEP, ET, and WUE, except for warming treatment in FD. In general, precipitation addition of 30% may still not be enough to prevent drought stress for growth of plants, due to with low water holding capacity and high evaporation rates in sandy land. Temperature increase magnified drought stress as it increased evapotranspiration rates especially in summer. In addition, community NEP, ET, and WUE were usually influenced by interactions between habitats and temperature, as well as the interactions among habitats, temperature, and precipitation. Species differences in each habitat along the restoration gradient may alter climate sensitivity of sandy land. These results will support in understanding and the prediction of the impacts of warming and precipitation change in semiarid sandy grassland.
Synergistic Photoredox/Transition‐Metal Catalysis for Carbon–Carbon Bond Formation Reactions
Authors: De Abreu Maxime , Belmont Philippe , Brachet Etienne
Published: September 2019

Carbon–carbon bond formation reactions are of longstanding interest in organic chemistry. Improvements of the methods targeting its creation are still being performed, especially thanks to the development of innovative methodologies in transition metal catalysis and photocatalysis. This review will tackle the combination of transition metal and photoredox cycles to create carbon–carbon bonds, focusing on the four transition metals most reported in the literature in this domain: Ni, Pd, Au and Cu.
5,10,15‐Tris(4‐sulfonatophenyl)corrole Synthesis
Authors: Caroleo Fabrizio , Nardis Sara , Petrella Greta , Bischetti Martina , Cicero Daniel O. , Genovese Damiano , Mummolo Liviana , Prodi Luca , Randazzo Rosalba , D'Urso Alessandro , Paolesse Roberto
Published: September 2019

Two synthetic routes for the preparation of the water soluble 5,10,15‐tris(4‐sulfonatophenyl)corrole are reported. The first approach explores the chlorosulfonation reaction on the phosphorus complex of 5,10,15‐tris(4‐trimethylsilylphenyl)corrole. Following this route, the P complex of the target corrole has been obtained in low yields, while the major product was the tetrasubstituted complex, with the additional sulfonyl group regioselectively introduced at the 2‐position. To widen the scope of the reaction, the direct preparation of the 5,10,15‐tris(4‐sulfonatophenyl)corrole has been pointed out, affording both the target corrole and the intermediate chlorosulfonyl derivative in reasonable yields. The photophysical properties and the protonation equilibria of both corroles have been investigated, showing that 5,10,15‐tris(4‐sulfonatophenyl)corrole does not aggregate in acidic solutions, different from the analogous porphyrin.
Stereoselective Synthesis of α,α′‐Dihydroxy‐β,β′‐diaryl‐β‐amino Acids by Mannich‐Like Condensation of Hydroarylamides
Authors: Pecnikaj Ilir , Foschi Francesca , Bucci Raffaella , Gelmi Maria Luisa , Castellano Carlo , Meneghetti Fiorella , Penso Michele
Published: September 2019

Dual α,α′‐Dihydroxy‐β‐amino acids are highly interesting tools for several industrial applications. Nevertheless, only few derivatives are reported in the literature and knowledge concerning the substitution pattern as well as their enantioselective syntheses are lacking. Herein, we report on the preparation of enantiopure α,α′‐dihydroxy‐β,β′‐diaryl‐β‐amino acid (dual) derivatives by an efficient Mannich‐like condensation of hydroarylamides with 5,6‐diethoxy‐5,6‐dimethyl‐1,4‐dioxan‐2‐one (triethylsilyl)ketene acetal. The synthetic protocol has been optimized affording the dual compounds in very good yields and with different aryl substitution patterns. Taking advantage of the “double stereodifferentiation” concept, a highly stereoselective reaction was performed: of the 16 possible isomers, only two diastereoisomers (d.r. up to 93:7) formed. Insights into the high stereocontrol of this condensation were given.
Fibroblast Growth Factor 19–Mediated Up‐regulation of SYR‐Related High‐Mobility Group Box 18 Promotes Hepatocellular Carcinoma Metastasis by Transactivating Fibroblast Growth Factor Receptor 4 and Fms‐Related Tyrosine Kinase 4
Authors: Chen Jie , Du Feng , Dang Yunzhi , Li Xiaowei , Qian Meirui , Feng Weibo , Qiao Chenyang , Fan Daiming , Nie Yongzhan , Wu Kaichun , Xia Limin
Published: September 2019

Background and Aims

The poor prognosis of patients with hepatocellular carcinoma (HCC) is mainly attributed to its high rate of metastasis and recurrence. However, the molecular mechanisms underlying HCC metastasis need to be elucidated. The SRY‐related high‐mobility group box (SOX) family proteins, which are a group of highly conserved transcription factors, play important roles in cancer initiation and progression. Here, we report on a role of SOX18, a member of the SOX family, in promoting HCC invasion and metastasis.

Approach and Results

The elevated expression of SOX18 was positively correlated with poor tumor differentiation, higher tumor‐node‐metastasis (TNM) stage, and poor prognosis. Overexpression of SOX18 promoted HCC metastasis by up‐regulating metastasis‐related genes, including fibroblast growth factor receptor 4 (FGFR4) and fms‐related tyrosine kinase 4 (FLT4). Knockdown of both FGFR4 and FLT4 significantly decreased SOX18‐mediated HCC invasion and metastasis, whereas the stable overexpression of FGFR4 and FLT4 reversed the decrease in cell invasion and metastasis that was induced by inhibition of SOX18. Fibroblast growth factor 19 (FGF19), which is the ligand of FGFR4, up‐regulated SOX18 expression. A mechanistic investigation indicated that the up‐regulation of SOX18 that was mediated by the FGF19‐FGFR4 pathway relied on the phosphorylated (p)‐fibroblast growth factor receptor substrate 2/p‐glycogen synthase kinase 3 beta/β‐catenin pathway. SOX18 knockdown significantly reduced FGF19‐enhanced HCC invasion and metastasis. Furthermore, BLU9931, a specific FGFR4 inhibitor, significantly reduced SOX18‐mediated HCC invasion and metastasis. In human HCC tissues, SOX18 expression was positively correlated with FGF19, FGFR4, and FLT4 expression, and patients that coexpressed FGF19/SOX18, SOX18/FGFR4, or SOX18/FLT4 had the worst prognosis.

Conclusions

We defined a FGF19‐SOX18‐FGFR4 positive feedback loop that played a pivotal role in HCC metastasis, and targeting this pathway may be a promising therapeutic option for the clinical management of HCC.
Synthesis and cytotoxicity of pentacyclic triterpenes‐aniline nitrogen mustard derivatives
Authors: Liu Chun‐Mei , Tian Xiao‐Yan , Su Chun‐Hua , Huang Jia‐Yan , Chu Xiang‐Wu , Deng Sheng‐Ping , Cheng Ke‐Guang
Published: September 2019

To discover novel nitrogen mustards, the reported mustard pharmacophore was combined with natural pentacyclic triterpenes, which are characterized with pharmacological and structural diversity. Thus, six conjugates were synthesized with 1,2,3‐triazole linking N,N‐bis (2‐chloroethyl)‐1,4‐phenylenediamine and oleanolic acid, ursolic acid, or glycyrrhetinic acid, and their biological activity was evaluated against tumor cell lines HeLa, BGC‐823, BEL‐7404, and NCI‐H460 using the MTT assay. As a result, these conjugates showed some selective cytotoxicity to NCI‐H460, though all their activity potency was moderate or weak in the four cell lines.
Tendon and Ligament Healing and Current Approaches to Tendon and Ligament Regeneration
Authors: Leong Natalie L. , Kator Jamie L. , Clemens Thomas L. , James Aaron , Enamoto‐Iwamoto Motomi , Jiang Jie
Published: September 2019

Ligament and tendon injuries are common problems in orthopedics. There is a need for treatments that can expedite nonoperative healing or improve the efficacy of surgical repair or reconstruction of ligaments and tendons. Successful biologically‐based attempts at repair and reconstruction would require a thorough understanding of normal tendon and ligament healing. The inflammatory, proliferative, and remodeling phases, and the cells involved in tendon and ligament healing will be reviewed. Then, current research efforts focusing on biologically‐based treatments of ligament and tendon injuries will be summarized, with a focus on stem cells endogenous to tendons and ligaments. Statement of clinical significance: This paper details mechanisms of ligament and tendon healing, as well as attempts to apply stem cells to ligament and tendon healing. Understanding of these topics could lead to more efficacious therapies to treat ligament and tendon injuries. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 38:7–12, 2020
Transforming Growth Factor β Enhances Tissue Formation by Passaged Nucleus Pulposus Cells In Vitro
Authors: Ashraf Sajjad , Chatoor Kenny , Chong Jasmine , Pilliar Robert , Santerre Paul , Kandel Rita
Published: September 2019

The nucleus pulposus (NP) is composed of NP and notochord cell. It is a paucicellular tissue and if it is to be used as a source of cells for tissue engineering the cell number will have to be expanded by cell passaging. The hypothesis of this study is that passaged NP and notochordal cells grown in three‐dimensional (3D) culture in the presence of transforming growth factor β (TGFβ) will show enhanced NP tissue formation compared with cells grown in the absence of this growth factor. Bovine NP cells isolated by sequential enzymatic digestion from caudal intervertebral discs were either placed directly in 3D culture (P0) or serially passaged up to passage 3 (P3) prior to placement in 3D culture. Serial cell passage in monolayer culture led to de‐differentiation, increased senescence and oxidative stress and decreases in the gene expression of NP and notochordal associated markers and increases in de‐differentiation markers. The NP tissue regeneration capacity of cells in 3D culture decreases with passaging as indicated by diminished tissue thickness and total collagen content when compared with tissues formed by P0 cells. Immunohistochemical studies showed that type II collagen accumulation appeared to decrease. TGFβ1 or TGFβ3 treatment enhanced the ability of cells at each passage to form tissue, in part by decreasing cell death. However, neither TGFβ1 nor TGFβ3 were able to restore the notochordal phenotype. Although TGFβ1/3 recovered NP tissue formation by passaged cells, to generate NP in vitro that resembles the native tissue will require identification of conditions facilitating retention of notochordal cell differentiation. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 38:438‐449, 2020
A Volume‐Based Feeding Protocol Improves Nutrient Delivery and Glycemic Control in a Surgical Trauma Intensive Care Unit
Authors: Prest Phillip J. , Justice Jessica , Bell Nathanial , McCarroll Richard , Watson Christopher M.
Published: September 2019

Background

Inadequate delivery of nutrition in critically ill patients has been shown to have adverse outcomes. A surgical trauma intensive care unit provides unique challenges to enteral feeds. Although volume‐based feeding protocols, like Enhanced Protein‐Energy Provision via the Enteral Route Feeding Protocol (PEP uP), have been successfully used in medical intensive care patients, data are sparse on its safety and efficacy in a surgical intensive care unit population.

Methods

A PEP uP protocol was recently initiated at our American College of Surgeons Level 1 verified trauma center. Medical records of 197 patients before this change (pre‐PEP uP) were compared with 295 patients after this change (post‐PEP uP).

Results

The post‐PEP uP group met/exceeded energy goals (defined as 80% of target) more often (57.0% compared with 26.9%, P‐value < .001), with an adjusted odds ratio (OR) of 4.98 (95% CI 3.49‐7.10), and more often met/exceeded protein goals (57.4% compared with 18.6%, P‐value < .001), with an adjusted OR of 11.84 (95% CI 7.94‐17.64). There was no significant difference in emesis during this time. Additionally, patients in the post‐PEP uP arm had less episodes of hyperglycemia (9% compared with 14.4%, P‐value < .001).

Conclusions

Volume‐based feeding protocols like PEP uP are safe in critically ill trauma patients and are more effective at delivering energy and protein while limiting hyperglycemic episodes when compared with a traditional delivery method.
Publishing in predatory open access journals: Authors' perspectives
Authors: Salehi Mohammad , Soltani Mohammad , Tamleh Hadis , Teimournezhad Shohreh
Published: September 2019

The proliferation of predatory or bogus journals has been recognized as a threat to academic research, and this study was conducted to discover the experiences of authors published in these journals. Eighty authors who had published in journals identified as predatory were surveyed. We asked how the authors learnt about these journals, what they thought about the reputation of the journals, their experiences of peer review and the quality of feedback provided, and whether publication was driven by PhD or job requirements. Our results showed that a third of authors discovered the journals by web searches or responding to email invitations. Over half said the reputation and name of the journal were important in selecting a journal, although a third admitted that the journal they published in did not have a good reputation. The main reason for selecting the journals was the promise of fast publication (31.2% respondents). Only half of the respondents said that publication was driven by PhD or job requirements. Just over a third reported that peer review was good or excellent, and only 17.5% said that peer review was poor or non‐existent – over 70% thought they had received good feedback from the journals. Although the research was somewhat limited, it does indicate general satisfaction with the journals in which the authors published. Fast publication coupled with good feedback and encouragement to submit can make publishing in predatory journals so tempting that few authors can resist.
Technical Note: Machine learning approaches for range and dose verification in proton therapy using proton‐induced positron emitters
Authors: Li Zhongxing , Wang Yiang , Yu Yajun , Fan Kuanjun , Xing Lei , Peng Hao
Published: September 2019

Purpose/objective(s)

Online proton range/dose verification based on measurements of proton‐induced positron emitters is a promising strategy for quality assurance in proton therapy. Because of the nonlinear correlation between the dose distribution and the activity distribution of positron emitters in addition to the presence of noise, machine learning approaches were proposed to establish their relationship.

Materials/methods

Simulations were carried out with a spot‐scanning proton system using GATE‐8.0 and Geant4‐10.3 toolkit with a computed tomography (CT)‐based patient phantom. The one‐dimensional (1D) distributions of positron emitters and radiation dose were obtained. A feedforward neural network classification model comprising two hidden layers, was developed to estimate whether the range is within a preset threshold. A recurrent neural network (RNN) regression model comprising three layers and ten neurons in each hidden layer was developed to estimate dose distribution. The performance was quantitatively studied in terms of mean squared error (MSE) and mean absolute error (MAE) under different signal‐to‐noise ratio (SNR) values.

Results

The feasibility of proton range and dose verification using the proposed neural network framework was demonstrated. The feedforward NN model achieves high classification accuracy close to 100% for individual classes without bias. The RNN model is able to accurately predict the 1D dose distribution for different energies and irradiation positions. When the SNR of the input activity profiles is above 4, the framework is able to predict with an MAE of ~0.60 mm and an MSE of ~0.066. Moreover, the model demonstrates a good capability of generalization.

Conclusions

The RNN model is found to be effective in identifying the relationship between the distributions of dose and positron emitters. The machine learning‐based framework and RNN models may be a useful tool to allow for accurate online range and dose verification based on proton‐induced positron emitters.
Metallization of Silver Through Coffee‐Ring Assisted Ribonucleic Acid Scaffolding Technique
Authors: Shakir Sehar , Talebi Sara , Abd‐ur‐Rehman Hafiz Muhammad , Moi Phang Siew , Iwamoto Mitsumasa , Yunus Kamran , Periasamy Vengadesh
Published: September 2019

Preferential binding of base pair units with metallic ions within deoxyribonucleic acids (DNA) to form metal‐DNA complexes are well studied and understood. Excitingly, such natural processes have been utilized “artificially” for designing and fabricating nanometallic structures and patterns primarily using double stranded DNA. However, little or no effort has been given to ribonucleic acid or RNA in this aspect. Therefore, in this work we study the scaffolding effect of RNA on metalizing silver (Ag) ions and further the diffusion of majority of the Ag‐RNA complexes towards artificially introduced cut or scribed edges as a result of the coffee‐ring effect. Upon removal of the RNA scaffold, metallic nanostructures remain along the line of the cut corresponding to the micrometre scale length of the cut, exercising some amount of control and manipulation of parameter. Other parameters such as the height and diameter may directly be related to the concentration and diffusion of the Ag‐RNA complexes, while gap size related to the cut width. We anticipate that further in‐depth studies will be required before a comprehensive model could be proposed for highly controllable and flexible nanostructure and nanowire fabrication using nucleic acid scaffolding techniques.
Carboxylate Bridge Controlled Formation of Tetra‐ and Pentanuclear Nickel(II) Complexes: Synthesis, Crystal Structure, Spectroscopy and Magnetic Properties
Authors: Dutta Nityananda , Giri Gopal C. , Haldar Shobhraj , Vijaykumar Gonela , Stewart Christopher D. , Carrella Luca , Musie Ghezai T. , Bera Manindranath
Published: September 2019

A carboxyamine functionalized tridentate ligand in combination with three different carboxylate bridging groups (RCO2−; R=CH3, C2H5 and CF3) has been utilized to prepare tetra‐ and pentanuclear nickel(II) complexes, [Ni4(L)2(μ3‐OCH3)2(μ1,1‐O2CCH3)2(μ1,3‐O2CCH3)2(CH3OH)2] (1), [Ni4(L)2(μ3‐OCH3)2(μ1,1‐O2CC2H5)2(μ1,3‐O2CC2H5)2(CH3OH)2] (2) and [Ni5(L)4(μ3‐OH)2(μ1,3‐O2CCF3)2]Br2⋅3H2O (3) (HL=3‐[(2‐pyridylmethyl)‐amino]‐propionic acid). The complexes have been characterized using several techniques such as elemental analysis, solution electrical conductivity, FTIR and UV‐Vis spectroscopy, and low temperature magnetic measurements. While complex 1 and 3 were further characterized using single crystal X‐ray diffraction, molecular structure of complex 2 has been optimized using DFT calculation. Whereas the acetate/propionate groups deliver Ni4 cluster, the trifluoroacetate group provides Ni5 assembly. Molecular structures of complexes 1 and 2 comprise a central [Ni4O6] core that could be described as a distorted face‐shared dicubane with two missing vertices. On the other hand, the [Ni5(μ3‐OH)2(μ1,3‐O2CCF3)2]6+ structural core of complex 3 contains five coplanar nickel(II) ions in a rectangular organization. Variable‐temperature magnetic susceptibility studies reveal the interesting magnetic properties of complexes 1 and 3. While complex 1 shows both ferro‐ and antiferromagnetic interactions with J1=−1.10 cm−1, J2=+2.40 cm−1 and J3=−0.65 cm−1, complex 3 exhibits only ferromagnetic interactions with J1=+2.0 cm−1 and J2=+1.0 cm−1.
Iron Fluoride Nanoparticles Embedded in a Nitrogen and Oxygen Dual‐doped 3D Porous Carbon Derived from Nori for High Rate Cathode in Lithium‐ion Battery
Authors: Zhang Qi , Wu Xian , Gong Shan , Fan Lishuang , Zhang Naiqing
Published: September 2019

A unique nitrogen and oxygen dual‐doped three‐dimensional porous carbon derived from nori which can be produced in large‐scale is used as conductive matrix to solve the problem of low conductivity of FeF3⋅0.33H2O cathode. Carbon with abundant channels combine with FeF3⋅0.33H2O nanoparticles to form a micro‐nanostructure material. The combination of small nanoparticles and highly conductive three dimension porous carbon skeleton forms a high‐speed ion and electron transport network which benefit the Li‐storage performance of FeF3⋅0.33H2O. The as‐prepared composite possess a capacity of 170, 157, and 104 mAh g−1 at 1 C, 2 C, and 20 C in lithium‐ion batteries which is much better than bulk FeF3⋅0.33H2O. Moreover, the capacity still maintains at 101 mAh g−1 after 500 times charge/discharge at a current density of 5 C.
Metal‐free, Visible‐Light‐Induced Radical Trifluoromethylation/Cyclization of N‐benzamides with CF3SO2Na to Synthesize CF3‐Containing Isoquinoline‐1,3‐diones
Authors: Wang Shaowei , Dai Peng , Yan Zhichao , Wang Youjia , Shao Jiaxuan , Wu Yanhui , Deng Chao , Zhang Weihua
Published: September 2019

A novel visible‐light‐induced radical cascade trifluoromethylation/cyclization of N‐benzamides with CF3SO2Na has been achieved. This protocol provides an efficient strategy for the synthesis of CF3‐containing isoquinoline‐1,3‐diones under mild reaction conditions. The reaction features metal‐free, air oxidation, CF3SO2Na as CF3 source, additives free and operational simplicity. Moreover, the representative products displayed significant potencial antifungal activities in vitro.
Unexpected Formation of Triphenylborane from Phenylboronic Acid and Its Use as an Intermediate in Palladium‐Catalyzed Cross Coupling Reaction
Authors: Motokura Ken , Fukuda Takuma , Manaka Yuichi
Published: September 2019

Triphenylborane was unexpectedly formed from phenylboronic acid in the presence of an inorganic base and a polar solvent. When K2CO3 was used as the base and DMF was used as the solvent, 0.22 mmol of triphenylborane was obtained from 1.5 mmol of phenylboronic acid after 1 h at 130 °C. The in‐situ formed triphenylborane reacted with chorobenzene over a supported Pd catalyst to afford biphenyl as the cross coupling product.
Wetlands for wastewater treatment
Authors: Ghimire Umesh , Nandimandalam Hariteja , Martinez‐Guerra Edith , Gude Veera Gnaneswar
Published: September 2019

This article presents an update on the research and practical demonstration of wetland treatment technologies for wastewater treatment. Applications of wetlands in wastewater treatment (as an advanced treatment unit or a decentralized system) and stormwater management or treatment for nutrient and pollutant removal (metals, industrial and emerging pollutants including pharmaceutical compounds and pathogens) are highlighted. A summary of studies involving the effects of vegetation, wetland design and operation, and configurations for efficient treatment of various municipal and industrial wastewaters is also included.

Practitioner points

Provides an update on current research and development of wetland technologies for wastewater treatment.

Effects of vegetation, pathogens removal, heavy metals and emerging pollutants removal are included.

Wetland design and operation is a key factor to improve water quality of wetland effluent.
The Pyridazine Scaffold as a Building Block for Energetic Materials: Synthesis, Characterization, and Properties
Authors: Gospodinov Ivan , Singer Johannes , Klapötke Thomas M. , Stierstorfer Jörg
Published: September 2019

In the present studies, the synthesis of new energetic materials based on the pyridazine scaffold and their characterization is the main subject. For this purpose, desired 3,5‐dimethoxy‐4,6‐dinitropyridazine‐1‐oxide (7) was synthesized in the first instance. The persubstituted pyridazine precursor laid the groundwork for further preparative modification. The targeted functionalization through the regioselective introduction of various smaller amine nucleophiles such as methylamine or 2‐aminoethanol gave several new energetic materials. Among them are 3,5‐bis(methylamino)‐4,6‐dinitropyridazine‐1‐oxide (8), 3,5‐bis(methylnitramino)‐4,6‐dinitropyridazine‐1‐oxide (9), 3,5‐bis(dimethylamino)‐4,6‐dinitropyridazine‐1‐oxide (10), and 3,5‐bis((2‐hydroxyethyl)amino)‐4,6‐dinitropyridazine‐1‐oxide (11). With the aim of increasing the detonation performance, compound 8 was additionally nitrated and 3,5‐bis(methylnitramino)‐4,6‐dinitropyridazine‐1‐oxide (9) was obtained. These new energetic materials were characterized and identified by multinuclear NMR (1H, 13C, 14N, 15N) and IR spectroscopy, elemental analysis and mass spectrometry. In addition, their sensitivities toward impact, friction and electrostatic discharge were thoroughly examined. Furthermore, obtained single‐crystals of the substances were characterized by low‐temperature single‐crystal X‐ray diffraction.
A novel systematic method to evaluate computer-supported collaborative design technologies
Authors: Brisco R. , Whitfield R. I. , Grierson H.
Published: September 2019

Selection of suitable computer-supported collaborative design (CSCD) technologies is crucial to facilitate successful projects. This paper presents the first systematic method for engineering design teams to evaluate and select the most suitable CSCD technologies comparing technology functionality and project requirements established in peer-reviewed literature. The paper first presents 220 factors that influence successful CSCD. These factors were then systematically mapped and categorised to create CSCD requirement statements. The novel evaluation and selection method incorporates these requirement statements within a matrix and develops a discourse analysis text processing algorithm with data from collaborative projects to automate the population of how technologies impact the success of CSCD in engineering design teams. This method was validated using data collected across 3 years of a student global design project. The impact of this method is the potential to change the way engineering design teams consider the technology they use and how the selection of appropriate tools impacts the success of their CSCD projects. The development of the CSCD evaluation matrix is the first of its kind enabling a systematic and justifiable comparison and technology selection, with the aim of best supporting the engineering designers collaborative design activity.
A family of freely slice good boundary links
Authors: Cha Jae Choon , Kim Min Hoon , Powell Mark
Published: September 2019

We show that every good boundary link with a pair of derivative links on a Seifert surface satisfying a homotopically trivial plus assumption is freely slice. This subsumes all previously known methods for freely slicing good boundary links with two or more components, and provides new freely slice links.
Trust in genomic data sharing among members of the general public in the UK, USA, Canada and Australia
Authors:   on behalf of the Participant Values Work Stream of the Global Alliance for Genomics and Health, Milne Richard , Morley Katherine I. , Howard Heidi , Niemiec Emilia , Nicol Dianne , Critchley Christine , Prainsack Barbara , Vears Danya , Smith James , Steed Claire , Bevan Paul , Atutornu Jerome , Farley Lauren , Goodhand Peter , Thorogood Adrian , Kleiderman Erika , Middleton Anna
Published: September 2019

Trust may be important in shaping public attitudes to genetics and intentions to participate in genomics research and big data initiatives. As such, we examined trust in data sharing among the general public. A cross-sectional online survey collected responses from representative publics in the USA, Canada, UK and Australia (n = 8967). Participants were most likely to trust their medical doctor and less likely to trust other entities named. Company researchers were least likely to be trusted. Low, Variable and High Trust classes were defined using latent class analysis. Members of the High Trust class were more likely to be under 50 years, male, with children, hold religious beliefs, have personal experience of genetics and be from the USA. They were most likely to be willing to donate their genomic and health data for clinical and research uses. The Low Trust class were less reassured than other respondents by laws preventing exploitation of donated information. Variation in trust, its relation to areas of concern about the use of genomic data and potential of legislation are considered. These findings have relevance for efforts to expand genomic medicine and data sharing beyond those with personal experience of genetics or research participants.
Design and rationale of ischaemia-driven complete revascularisation versus usual care in patients with non-ST-elevation myocardial infarction and multivessel coronary disease: the South Limburg Myocardial Infarction (SLIM) trial
Authors: Pustjens T. F. S. , Streukens B. , Vainer J. , Gho B. , Ruiters A. W. , Stein M. , Ilhan M. , Veenstra L. , Theunissen R. , Bekkers S. C. A. M. , van’t Hof A. W. J. , Rasoul S.
Published: September 2019

Aims

To compare ischaemia-driven complete coronary revascularisation by percutaneous coronary intervention (PCI) with usual care in patients with non-ST-elevation myocardial infarction (non-STEMI) and multivessel disease (MVD).

Methods

The South Limburg Myocardial Infarction (SLIM) trial (NCT03562572) is an investigator-initiated, prospective, multicentre, randomised controlled trial that compares fractional flow reserve (FFR)-guided complete revascularisation during the index procedure with usual care in non-STEMI patients with MVD. A total of 414 patients will be randomised in a 1:1 fashion. The primary endpoint is the composite of all-cause mortality, non-fatal myocardial infarction, and any revascularisation and stroke (MACCE) at 12 months. The secondary endpoints are: MACCE at 24 and 36 months, and the composite of cardiac death, myocardial infarction, any revascularisation, stroke, major bleeding and left ventricular ejection fraction below 45% at 12, 24 and 36 months. Furthermore, quality of life will be assessed by the Patient Health Questionnaire (PHQ-9) and the Short Form (36) Health Survey (SF-36) at 1 and 12 months of follow-up.

Conclusion

The SLIM trial aims to provide evidence whether FFR-guided complete revascularisation by PCI is superior to usual care with respect to clinical outcomes (major adverse cardiovascular events) in non-STEMI patients with MVD.
Occupation of Racial Grief, Loss as a Resource: Learning From ‘The Combahee River Collective Black Feminist Statement’
Authors: Nayak Suryia
Published: September 2019

The methodology of ‘occupation’ through re-reading The Combahee River Collective Black Feminist Statement (The Combahee River Collective, in: James, Sharpley-Whiting (eds) The Black Feminist Reader. Blackwell Publishers Ltd., Oxford, pp 261–270, 1977) demonstrates the necessity of temporal linkages to historical Black feminist texts and the wisdom of Black feminist situated knowers. This paper argues that racism produces grief and loss and as long as there is racism, we all remain in racial grief and loss. However, in stark contrast to the configuration of racial grief and loss as something to get over, perhaps grief and loss can be thought about differently, for example, in terms of racial grief and loss as a resource. This paper questions Western Eurocentric paternalistic responses to Black women’s ‘talk about their feelings of craziness… [under] patriarchal rule’ (The Combahee River Collective 1977: 262) and suggests alternative ways of thinking about the psychological impact of grief and loss in the context of racism. In this paper, a Black feminist occupation of racial grief and loss includes the act of residing within, and the act of working with the constituent elements of racial grief and loss. The proposal is that an occupation of racial grief and loss is a paradoxical catalyst for building a twenty-first century global intersectional Black feminist movement.
Optimality, Equilibrium, and Curb Sets in Decision Problems Without Commitment
Authors: Herings P. Jean-Jacques , Meshalkin Andrey , Predtetchinski Arkadi
Published: September 2019

The paper considers a class of decision problems with an infinite time horizon that contains Markov decision problems as an important special case. Our interest concerns the case where the decision maker cannot commit himself to his future action choices. We model the decision maker as consisting of multiple selves, where each history of the decision problem corresponds to one self. Each self is assumed to have the same utility function as the decision maker. Our results are twofold: Firstly, we demonstrate that the set of subgame optimal policies coincides with the set of subgame perfect equilibria of the decision problem. Furthermore, the set of subgame optimal policies is contained in the set of optimal policies and the set of optimal policies is contained in the set of Nash equilibria. Secondly, we show that the set of pure subgame optimal policies is the unique minimal curb set of the decision problem. The concept of a subgame optimal policy is therefore robust to the absence of commitment technologies.