bluuebunny/crossref_metadata_2025_split huggingface dataset:
Forage mass, nutritive value, and economic viability of cowpea overseeded in tall fescue and sorghum‐sudangrass swards
Authors: Nave Renata L. G. , Quinby M. P. , Griffith A. P. , Corbin M. D. , Bates G. E. 
Published: January 2020

AbstractCowpea (Vigna unguiculata L. Walp) (CW) is being considered as an alternative feed source in the southern U.S. Legume–grass mixtures are known to provide greater forage mass compared with unfertilized grass monocultures; however, research is needed to evaluate alternatives for increasing forage availability during the summer. The objective of this study was to quantify forage mass, nutritive value, and economic viability of CW overseeded in tall fescue [Schedonorus arundinaceus (Schreb.) Dumort.] (TF) and sorghum × sudangrass hybrid [Sorghum bicolor (L.) Moench × Sorghum sudanese (P.) Stapf] (SS) swards seeded at different rates. Two experiments were established in Spring Hill, TN, one with TF and the other with SS, from June to September of 2016 and 2017. Inoculated CW seeds were drilled into TF and SS plots at 25, 50, or 75 lb acre−1 and compared with control treatments that were without CW. There were no differences in total and average forage mass of TF or SS with the addition of CW, regardless of the seeding rate, likely due to the competitiveness of the grasses. No differences among seed rates were observed in the concentration of crude protein (CP) for TF swards mixed with CW in either year while in vitro dry matter digestibility (IVDMD) was less for the control treatment in 2017. Meanwhile, the nutritive value of the SS and CW mixture was improved as the CW seeding rate increased in both years. Data from this study suggest that the addition of CW to TF or SS does not justify its cost given the minimal benefit provided.
An Air‐Stable, Neutral Phenothiazinyl Radical with Substantial Radical Stabilization Energy
Authors: Sigmund Lukas M. , Ebner Fabian , Jöst Christoph , Spengler Jonas , Gönnheimer Nils , Hartmann Deborah , Greb Lutz 
Published: January 2020

AbstractThe vital effect of radical states on the pharmacological activity of phenothiazine‐based drugs has long been speculated. Whereas cationic radicals of N‐substituted phenothiazines show high stability, the respective neutral radicals of N‐unsubstituted phenothiazines have never been isolated. Herein, the 1,9‐diamino‐3,7‐di‐tert‐butyl‐N1,N9‐bis(2,6‐diisopropylphenyl)‐10H‐phenothiazin‐10‐yl radical (SQH2.) is described as the first air‐stable, neutral phenothiazinyl free radical. The crystalline dark‐blue species is characterized by means of EPR and UV/Vis/near‐IR spectroscopy, as well as cyclic voltammetry, spectro‐electrochemical analysis, single‐crystal XRD, and computational studies. The SQH2. radical stands out from other aminyl radicals by an impressive radical stabilization energy and its parent amine has one of the weakest N−H bond dissociation energies ever determined. In addition to serving as open‐shell reference in medicinal chemistry, its tridentate binding pocket or hydrogen‐bond‐donor ability might enable manifold uses as a redox‐active ligand or proton‐coupled electron‐transfer reagent.
Molecular Packing‐Controlled Mechanical‐Induced Emission Enhancement of Tetraphenylethene‐Functionalised Pyrazoline Derivatives
Authors: Guo Shengmei , Zhang Gaobin , Kong Lin , Tian Yupeng , Yang Jiaxiang 
Published: January 2020

AbstractOrganic mechanofluorochromic (MFC) materials with mechanical‐induced emission enhancement (MIEE) are scarce. Herein, Aggregation‐induced emission (AIE)‐active tetraphenylethene‐functionalised pyrazoline derivatives with various non‐conjugated substituent groups (Br, F, N,N‐dimethylamino and cyano groups for TPEB, TPEF, TPEN and TPECN, respectively) were designed and synthesised. The fluorescence spectra of the compounds in the solid state were sensitive to mechanical stimuli and exhibited unique MFC properties. The solid fluorescence peaks of all compounds were red shifted, whereas the quantum yields of TPEB, TPEF and TPEN were increased and that of TPECN was slightly reduced after grinding. The MIEE mechanism was systematically investigated through structure–property relationship studies. The results showed that the pyrazoline ring of TPEB with MIEE property formed H‐dimer aggregates with weak π–π stacking in the solid state. After grinding, the synergistic effects of conformational planarization and destructive π–π interactions induced the red shift of the fluorescence peak and the intensity enhanced. TPECN formed incompact J‐aggregates with weak intermolecular interactions instead. The conformational planarization and increased intermolecular interactions induced by grinding led to the red‐shifted peak and the slightly reduced intensity. These results clearly demonstrated that the translation of packing arrangements is an efficient method to design MIEE materials, which opens a new scope for designing unique MFC materials.
Dual Metastability in Electroless Plating: Complex Inertness Enabling the Deposition of Composition‐Tunable Platinum Copper Alloy Nanostructures
Authors: Stohr Tobias , Brötz Joachim , Oezaslan Mehtap , Muench Falk 
Published: January 2020

AbstractAutocatalytic deposition represents a facile, versatile, and scalable wet‐chemical tool for nanofabrication. However, the intricate component interplay in plating baths containing multiple metal species impedes alloy deposition. We resolved this challenge in the bimetallic copper‐platinum system by exploiting the kinetic stability of platinum complexes, which allows adjusting their ligand sphere and thus reactivity independently from the present copper ions in a preceding, thermally activated ligand exchange step. By using metastable PtIV precursors of varying degrees of complexation, copper‐platinum alloys of adjustable atomic ratio were plated from solutions of identical composition and concentration, but differing local coordination environment. Due to its excellent conformity and nanoscale homogeneity, the reaction is compatible with ambitious 3D substrate morphologies, as demonstrated in the template‐assisted fabrication of nanotubes with high aspect ratio. The ability to generate additional synthetic degrees of freedom by decoupling the metal complex speciation from the solution composition is of large interest for redox‐chemical synthesis techniques, such as electrodeposition or nanoparticle colloid production.
Thromboembolic and bleeding risk of periprocedural bridging anticoagulation: A systematic review and meta‐analysis
Authors: Kuo Hsien‐Cheng , Liu Feng‐Lin , Chen Jui‐Tai , Cherng Yih‐Giun , Tam Ka‐Wai , Tai Ying‐Hsuan 
Published: January 2020

AbstractThe risk and benefit of periprocedural heparin bridging is not completely clarified. We aimed to assess the safety and efficacy of bridging anticoagulation prior to invasive procedures or surgery. Heparin bridging was associated with lower risks of thromboembolism and bleeding compared to non‐bridging. PubMed, Ovid and Elsevier, and Cochrane Library (2000‐2016) were searched for English‐language studies. Studies comparing interrupted anticoagulation with or without bridging and continuous oral anticoagulation in patients at moderate‐to‐high thromboembolic risk before invasive procedures were included. Primary outcomes were thromboembolic events and bleeding events. Mantel‐Haenszel method and random‐effects models were used to analyze the pooled risk ratio (RR) and 95% confidence interval (CI) for thromboembolic and bleeding risks. Eighteen studies (six randomized controlled trials and 12 cohort studies) were included (N = 23 364). There was no difference in thromboembolic risk between bridged and non‐bridged patients (RR: 1.26, 95% CI: 0.61‐2.58; RCTs: RR: 0.71, 95% CI: 0.23‐2.24; cohorts: RR: 1.45, 95% CI: 0.63‐3.37). However, bridging anticoagulation was associated with higher risk of overall bleeding (RR: 2.83, 95% CI: 2.00‐4.01; RCTs: RR: 2.24, 95% CI: 0.99‐5.09; cohorts: RR: 3.09, 95% CI: 2.07‐4.62) and major bleeding (RR: 3.00, 95% CI: 1.78‐5.06; RCTs: RR: 2.48, 95% CI: 1.29‐4.76; cohorts: RR: 3.22, 95% CI: 1.65‐6.32). Bridging anticoagulation was associated with increased bleeding risk compared to non‐bridging. Thromboembolism risk was similar between two strategies. Our results do not support routine use of bridging during anticoagulation interruption.
From Oxadiazole to Triazole Analogues: Optimization toward a Dual Orexin Receptor Antagonist with Improved in vivo Efficacy in Dogs
Authors: Brotschi Christine , Bolli Martin H. , Gatfield John , Heidmann Bibia , Jenck Francois , Roch Catherine , Sifferlen Thierry , Treiber Alexander , Williams Jodi T. , Boss Christoph 
Published: January 2020

AbstractThe orexin system is responsible for regulating the sleep‐wake cycle. Suvorexant, a dual orexin receptor antagonist (DORA) is approved by the FDA for the treatment of insomnia disorders. Herein, we report the optimization efforts toward a DORA, where our starting point was (5‐methoxy‐4‐methyl‐2‐[1,2,3]triazol‐2‐yl‐phenyl)‐{(S)‐2‐[5‐(2‐trifluoromethoxy‐phenyl)‐[1,2,4]oxadiazol‐3‐yl]‐pyrrolidin‐1‐yl}methanone (6), a compound which emerged from our in‐house research program. Compound 6 was shown to be a potent, brain‐penetrating DORA with in vivo efficacy similar to suvorexant in rats. However, shortcomings from low metabolic stability, high plasma protein binding (PPB), low brain free fraction (fu brain), and low aqueous solubility, were identified and hence, compound 6 was not an ideal candidate for further development. Our optimization efforts addressing the above‐mentioned shortcomings resulted in the identification of (4‐chloro‐2‐[1,2,3]triazol‐2‐yl‐phenyl)‐{(S)‐2‐methyl‐2‐[5‐(2‐trifluoromethoxy‐phenyl)‐4H‐[1,2,4]triazol‐3‐yl]‐pyrrolidin‐1‐yl}l‐methanone (42), a DORA with improved in vivo efficacy compared to 6.
Photoluminescence Mechanisms of All‐Inorganic Cesium Lead Bromide Perovskites Revealed by Single Particle Spectroscopy
Authors: Jiang Yiqun , Li Beiye , Zhang Tianxiang , Shi Yumeng , Xu Qing‐Hua 
Published: January 2020

AbstractMetal halide perovskites (MHPs) are promising materials for a range of optoelectronic applications owing to their unique structures and optical properties. The photoluminescence (PL) property of MHPs is crucial for their applications. All‐inorganic MHPs such as CsPbBr3, CsPb2Br5 and Cs4PbBr6, have been widely investigated due to their high PL quantum yield (QY). However, the PL mechanisms of these perovskites still remain controversial and lack a unifying explanation. In this review, we have summarized the recent efforts to reveal the emission process of all‐inorganic cesium lead bromide perovskites nanocrystals (NCs) by utilizing single particle spectroscopy. The recent research advances on the understanding of exciton nature in CsPbBr3 and PL emission originating from intrinsic point defects or impurity CsPbBr3 phase in CsPb2Br5 and Cs4PbBr6 are summarized. Understanding the relationship between the structure and associated PL property of MHPs paves the way for their potential applications.
Using the MINT Database to Search Protein Interactions
Authors: Calderone Alberto , Iannuccelli Marta , Peluso Daniele , Licata Luana 
Published: January 2020

AbstractThe Molecular INTeractions Database (MINT) is a public database designed to store information about protein interactions. Protein interactions are extracted from scientific literature and annotated in the database by expert curators. Currently (October 2019), MINT contains information on more than 26,000 proteins and more than 131,600 interactions in over 30 model organisms. This article provides protocols for searching MINT over the Internet, using the new MINT Web Page. © 2020 by John Wiley & Sons, Inc.Basic Protocol 1: Searching MINT over the internetAlternate Protocol: MINT visualizerBasic Protocol 2: Submitting interaction data
Salt Effects on Hydrophobic Solvation: Is the Observed Salt Specificity the Result of Excluded Volume Effects or Water Mediated Ion‐Hydrophobe Association?
Authors: Francisco Olga A. , Glor Hayden M. , Khajehpour Mazdak 
Published: January 2020

AbstractThe solubility of hydrophobic molecules in water is sensitive to salt addition in an ion‐specific manner. Such “salting‐out” and “salting‐in” properties have been shown to be a major contributor to the measured ion‐specific Hofmeister effects that are observed in many biophysical phenomena. Various theoretical models have suggested a number of disparate mechanisms for salting‐out (salting‐in) of hydrophobic moieties, the most popular of which include preferential interaction, water‐mediated association, and electrostriction models. However, a complete molecular level description of this ion‐specificity is not yet available. This work investigates the ion‐specific nature of hydrophobic solvation by studying how sodium and chloride salts affect the thermodynamics of 1,2‐hexanediol micellization. The results of this study are analyzed in terms of scaled‐particle theory and we show that salt addition can affect hydrophobic solvation in two modalities: salt addition changes the cavitation free energy; salt addition also influences the solvent‐solute interaction energy by changing the hydration of the hydrophobic solute. These two effects are salt specific in nature and we suggest that for small hydrophobic solutes these effects are the main cause of salt‐specific Hofmeister effects on their solubility.
Counterion‐Trapped‐Molecules: From High Polarity and Enriched IR Spectra to Induced Isomerization
Authors: Naumkin Fedor Y. , Wales David J. 
Published: January 2020

AbstractWe report extensive computational studies of some novel intermolecular systems and their properties. Recombination of alkali‐halide counterions separated by a noncovalently trapped hydrocarbon molecule is prevented by significant potential energy barriers, resulting in unusual metastable insertion complexes. These systems are extremely polar, while the inserted molecule is strongly counter‐polarized, leading to significant cooperative nonadditivity effects. The compression and electric field produced by the counterions favours isomerization of the trapped molecule via a significant reduction of the barriers to bond rearrangement, in a field‐induced mechanochemical process. The predicted IR intensity spectra clearly reflect (1) formation of the insertion complex, rather than simple attachment of alkali halide, and (2) isomerization of the trapped molecule, thus allowing experimental access to these events.
Biomimetic Design of a 3 D Transition Metal/Carbon Dyad for the One‐Step Hydrodeoxygenation of Vanillin
Authors: Zhao Tian‐Jian , Zhang Jun‐Jun , Wang Hong‐Hui , Su Juan , Li Xin‐Hao , Chen Jie‐Sheng 
Published: January 2020

AbstractEnzyme catalysts always show an excellent catalytic selectivity, which is important in biochemistry, especially in catalytic synthesis and biopharming. This selectivity is achieved by combining the binding effect induced by the electrostatic effect of the enzyme to attract a specific substrate and then the prearrangement of the substrates inside the enzyme pocket. Herein, we report a proof‐of‐concept application of an interfacial electrostatic field induced by constructing Schottky heterojunctions to mimic the electrostatic catalysis of an enzyme. In combination with the 3 D structure, a transition metal/carbon dyad was designed by nanoconfinement methods to promote the differential binding effect and the space‐induced organization of the reaction intermediate (vanillyl alcohol) to develop a new one‐step hydrogenolysis of vanillin for the production of 2‐methoxy‐4‐methylphenol with a remarkably high selectivity (>99 %).
One‐Pot Conversion of Lignin into Naphthenes Catalyzed by a Heterogeneous Rhenium Oxide‐Modified Iridium Compound
Authors: Li Xinxin , Zhang Bo , Pan Xiaoli , Ji Jianwei , Ren Yujing , Wang Hua , Ji Na , Liu Qiying , Li Changzhi 
Published: January 2020

AbstractThe direct transformation of lignin into fuels and chemicals remains a huge challenge because of the recalcitrant and complicated structure of lignin. In this study, rhenium oxide‐modified iridium supported on SiO2 (Ir‐ReOx/SiO2) is employed for the one‐pot conversion of various lignin model compounds and lignin feedstocks into naphthenes. Up to 100 % yield of cyclohexane from model compounds and 44.3 % yield of naphthenes from lignin feedstocks are achieved. 2 D HSQC NMR spectroscopy before and after the reaction confirms the activity of Ir‐ReOx/SiO2 in the cleavage of the C−O bonds and hydrodeoxygenation of the depolymerized products. H2 temperature‐programmed reduction, temperature‐programmed desorption of NH3, IR spectroscopy of pyridine adsorption, X‐ray photoelectron spectroscopy, X‐ray absorption fine structure analysis, and control experiments reveal that a synergistic effect between Ir and ReOx in Ir‐ReOx/SiO2 plays a crucial role in the high performance; ReOx is mainly responsible for the cleavage of C−O bonds, whereas Ir is responsible for hydrodeoxygenation and saturation of the benzene rings. This methodology opens up an energy‐efficient route for the direct conversion of lignin into valuable naphthenes.
Direct Catalytic Conversion of Furfural to Furan‐derived Amines in the Presence of Ru‐based Catalyst
Authors: Jiang Shi , Ramdani Wahiba , Muller Eric , Ma Changru , Pera‐Titus Marc , Jerôme François , De Oliveira Vigiera Karine 
Published: January 2020

AbstractThe production of amine intermediates from biomass is capturing increasing attention. Herein, a simple and efficient preparation of l furan‐derived amines was developed [e.g., 1‐(furan‐2‐yl)‐4‐methylpentan‐2‐amine] with high yield (up to 95 %) from (E)‐1‐(furan‐2‐yl)‐5‐methylhex‐1‐en‐3‐one. The catalyst used was Ru/C, and it was recyclable up to the fourth cycle. To further realize cost‐efficiency, a one‐reactor tandem concept was attempted. To this aim direct reaction from furfural was investigated. A high yield (74 %) towards 1‐(furan‐2‐yl)‐4‐methylpentan‐2‐amine could be achieved starting directly from furfural in the presence of methyl isobutyl ketone, NH3, H2, and Ru/C catalyst.
The future for diabetic foot ulcer prevention: A paradigm shift from stratified healthcare towards personalized medicine
Authors: Van Netten Jaap J. , Woodburn James , Bus Sicco A. 
Published: January 2020

ABSTRACTPrevention of diabetic foot ulcers is important to reduce the burden of diabetic foot disease. However, we found that ulcer prevention is underexposed in research and clinical practice. Barriers to explain this are seen in patient's goal‐setting; in the lack of interdisciplinary teams for ulcer prevention; in sample sizes and funding for research; in industrial engagement; and in limited understanding of ulcer development. Rather than separately solving these barriers, we propose a paradigm shift from stratified healthcare towards personalized medicine for diabetic foot disease. Personalized medicine aims to deliver the right treatment to the right patient at the right time, based on individual diagnostics. Different treatment strategies should be available for different patients, delivered in an integrated, objective, quantitative and evidence‐based approach. More than on the classical risk factors of peripheral neuropathy and peripheral artery disease, individual diagnostics should focus on modifiable risk factors for ulceration. This includes structured biomechanical and behavioral profiling, while new research with (big) data science may identify additional risk factors, such as geographical or temporal patterns in ulceration. Industry involvement can drive the development of wearable instruments and assessment tools, to facilitate large‐scale individual diagnostics. For a paradigm shift towards personalized medicine in prevention, large‐scale collaborations between stakeholders are needed. As each ulcer episode not prevented costs about €10,000 in medical costs alone, such investments can be cost‐effective. We hope to see more discussions around this paradigm shift, and increasing investments of energy and money in diabetic foot ulcer prevention in research and clinical practice.
Unhealthy weight control behaviors among Ethiopian female adolescents
Authors: Tuffa Tigest A. , Gebreyesus Seifu H. , Endris Bilal S. , Getnet Yalemwork , Abebe Dawit S. 
Published: January 2020

AbstractBackgroundUnhealthy weight control behaviors are a serious concern, impairing the quality of life in adolescents. Although recent epidemiological studies indicate a high level of disordered eating in developing countries, such data in Ethiopia are scarce. Thus, this study aimed to determine the extent of unhealthy weight control behaviors (i.e., purging and nonpurging) and corresponding associated factors among urban Ethiopian adolescents.MethodA cross‐sectional study using self‐administered questionnaires was applied to 690 randomly selected female high school adolescents in Addis Ababa, Ethiopia in 2017. Measures included unhealthy weight control behaviors, body mass index, subjective perception of body weight, appearance satisfaction, depressive symptoms, and socio‐demographic factors. Logistic regression was applied for data analyses, that is, adjusted odds ratio (aOR) with 95% confidence interval (CI).ResultsThe level of unhealthy weight control behaviors (i.e., a score of at least once a week in the last 1 month) was 30.7% (N = 208). Specifically, the extent of purging and nonpurging weight control behaviors was 1.5% (N = 10) and 29.8% (N = 202), respectively. Factors that were significantly associated with unhealthy weight control behaviors were perception of being overweight [aOR = 3.01; 95%CI: 1.11–8.11], being overweight [aOR = 3.28; 95%CI: 1.54–7.01], severe depression [aOR = 4.09; 95%CI: 1.73–9.96], and high socio‐economic status [aOR = 2.07; 95%CI: 1.30–2.80].ConclusionThis study reveals a considerable level of unhealthy weight control behaviors among female adolescents in an urban setting in Ethiopia. Researchers and policy makers should focus their attention upon this emerging public health challenge and develop associated strategies.
Is physical exercise and dietary therapy a feasible alternative to cognitive behavior therapy in treatment of eating disorders? A randomized controlled trial of two group therapies
Authors: Mathisen Therese Fostervold , Rosenvinge Jan H. , Friborg Oddgeir , Vrabel KariAnne , Bratland‐Sanda Solfrid , Pettersen Gunn , Sundgot‐Borgen Jorunn 
Published: January 2020

AbstractObjectiveTo compare effects of physical exercise and dietary therapy (PED‐t) to cognitive behavioral therapy (CBT) in treatment of bulimia nervosa (BN) and binge‐eating disorder (BED).MethodThe active sample (18–40 years of age) consisted of 76 women in the PED‐t condition and 73 in the CBT condition. Participants who chose not to initiate treatment immediately (n = 23) were put on a waiting list. Outcome measures were the eating disorder examination questionnaire (EDE‐Q), Clinical Impairment Assessment (CIA), Satisfaction with Life Scale (SWLS), Beck Depression Inventory (BDI), and numbers in remission at posttreatment, and at 6‐, 12‐, and 24‐months follow‐up.ResultsBoth treatment conditions produced medium to strong significant improvements on all outcomes with long‐term effect. The PED‐t produced a faster improvement in EDE‐Q and CIA, but these differences vanished at follow‐ups. Only PED‐t provided improvements in BDI, still with no between‐group difference. Totally, 30–50% of participants responded favorable to treatments, with no statistical between‐group difference.DiscussionBoth treatments shared a focus on normalizing eating patterns, correcting basic self‐regulatory processes and reducing idealized aesthetic evaluations of self‐worth. The results point to the PED‐t as an alternative to CBT for BN and BED, although results are limited due to compliance and dropout rates. Replications are needed by independent research groups as well as in more clinical settings.