bluuebunny/crossref_metadata_2025_split huggingface dataset:
Maximizing Output in RNA‐Programmed Peptidyl‐Transfer Reactions
Authors: Di Pisa Margherita , Hauser Anett , Seitz Oliver 
Published: January 2017

AbstractA chemical reaction that is triggered by a specific RNA molecule might provide opportunities for the design of artificial feedback loops. We envision a peptidyl transfer reaction in which mRNA encoding an antiapoptotic protein would instruct the synthesis of apoptosis‐inducing peptides. In this study, we used the RNA‐programmed synthesis of a 16‐mer peptide derived from the BH3 domain of the protein Bak, which inhibits the antiapoptotic protein Bcl‐xL. The reaction involves the transfer of a thioester‐linked donor peptide fragment from one PNA conjugate to an acceptor peptide–PNA conjugate. We asked two key questions. What are the chemical requirements that allow RNA‐templated synthesis of a 16‐mer peptide to proceed at lower (nanomolar) concentrations of RNA, that is, the concentration range found in cancer cells? Will such reactions provide sufficient amounts of peptide product and sufficient affinity to interfere with the targeted protein–protein interaction? Perhaps surprisingly, the lengths of the peptides involved in peptidyl transfer chemistry have little effect on the achievable rate enhancements. However, the nature of the thioester C terminus, the distance between the targeted template annealing sites, and template affinity play important roles. The investigation revealed guidelines for the reaction design for peptidyl transfer with low amounts (1–10 nm) of RNA, yet still provide sufficient product to antagonize a protein–protein interaction.
Tertiary Amines as Ligands in a Four‐Step Tandem Reaction of Hydroformylation and Hydrogenation: An Alternative Route to Industrial Diol Monomers
Authors: Fuchs Sarah , Lichte Dominik , Dittmar Morten , Meier Gregor , Strutz Heinz , Behr Arno , Vorholt Andreas J. 
Published: January 2017

AbstractA highly selective synthesis of diols is presented by simple auto‐tandem catalysis to connect hydroformylation and hydrogenation reactions by a rhodium‐catalyst with tertiary amines as ligands. This system allows the hydroformylation/hydrogenation of non‐conjugated cyclic olefins to selectively provide diols under mild reaction conditions. As a model substrate, the industrially relevant dicyclopentadiene (dcpd) was chosen. With the reaction system [Rh(octanoate)2]2 and triethylamine, diols are produced in a high yields of up to 79 % with full conversion of intermediate aldehyde and no evidence of olefin hydrogenation. The scope of the reaction was evaluated and the optimised reaction conditions were successfully scaled up to a 2 L reactor. Finally, the Rh/amine catalyst complex was recycled by a simple water extraction of the diol‐product.
Detection of Microscale Mass‐Transport Regimes in Supercritical Fluid Extraction
Authors: Salamatin Arthur A. 
Published: January 2017

AbstractThe problem of detecting supercritical fluid extraction regimes on the particle‐scale level is discussed by using a generalized multiparameter model, which includes the shrinking‐core (SC) and broken‐and‐intact‐cells (BIC) approaches as its limiting cases. The model accounts for two internal mass‐transfer resistances attributed to cell membranes and transport channels. A wide spectrum of particle‐scale extraction regimes, described by the model, agree with available up‐to‐date relatively short laboratory experiments. Simplified concepts (like SC or BIC) could only be used for available experimental data correlation, and do not allow a reliable extension to long process times. The experimental methodology was suggested to detect limiting internal mass‐transfer mechanisms.
Improved and General Manganese‐Catalyzed N‐Methylation of Aromatic Amines Using Methanol
Authors: Neumann Jacob , Elangovan Saravanakumar , Spannenberg Anke , Junge Kathrin , Beller Matthias 
Published: January 2017

AbstractA novel lutidine‐based manganese PNP‐pincer complex has been synthesized for the selective N‐methylation of aromatic amines with methanol. Using borrowing hydrogen methodology, a selection of differently functionalized aniline derivatives is selectively methylated in good yields.
The Ethical and Social Dimensions of Chemistry: Reflections, Considerations, and Clarifications
Authors: Mehlich Jan , Moser Frank , Van Tiggelen Brigitte , Campanella Luigi , Hopf Henning 
Published: January 2017

Abstract“Ethics in Chemistry” is a huge topic with various viewpoints and arguments on what it actually is and what compliance to ethical guidelines and participation in ethical discourse imply, covering principles of science and research ethics, profession ethics, and technology ethics. Overview and clarity are lost easily. The authors—members of the recently formed EuCheMS working party “Ethics in Chemistry”—present an attempt to collect and sort the ethically relevant aspects and challenges that chemists see themselves confronted with. Based on this list, strategies for ethical action are outlined. On the one hand, there are those issues that are a matter of compliance to existing guidelines and standards. On the other hand, there are those conflicts that arise at the intersection of science, technology and society and that need engaged chemists participating in the larger discourse for sustainability. This Editorial attempts to point out why this is important and what chemists can do in particular.image
Diversity‐Oriented Peptide Stapling: A Third Generation Copper‐Catalysed Azide–Alkyne Cycloaddition Stapling and Functionalisation Strategy
Authors: Tran Phuong Thu , Larsen Christian Ørnbøl , Røndbjerg Tobias , De Foresta Martina , Kunze Micha B. A. , Marek Ales , Løper Jacob Hartvig , Boyhus Lotte‐Emilie , Knuhtsen Astrid , Lindorff‐Larsen Kresten , Pedersen Daniel Sejer 
Published: January 2017

AbstractThe introduction of macrocyclic constraints in peptides (peptide stapling) is an important tool within peptide medicinal chemistry for stabilising and pre‐organising peptides in a desired conformation. In recent years, the copper‐catalysed azide–alkyne cycloaddition (CuAAC) has emerged as a powerful method for peptide stapling. However, to date CuAAC stapling has not provided a simple method for obtaining peptides that are easily diversified further. In the present study, we report a new diversity‐oriented peptide stapling (DOPS) methodology based on CuAAC chemistry. Stapling of peptides incorporating two azide‐modified amino acids with 1,3,5‐triethynylbenzene efficiently provides (i, i+7)‐ and (i, i+9)‐stapled peptides with a single free alkyne positioned on the staple, which can be further conjugated or dimerised. A unique feature of the present method is that it provides easy access to radiolabelled stapled peptides by catalytic tritiation of the alkyne positioned on the staple.
The Advantages of Cyclic Over Acyclic Carbenes To Access Isolable Capto‐Dative C‐Centered Radicals
Authors: Mahoney Janell K. , Jazzar Rodolphe , Royal Guy , Martin David , Bertrand Guy 
Published: January 2017

AbstractA cyclic and an acyclic di(amino)carbene as well as a cyclic and an acyclic (alkyl)(amino)carbene cleanly react with benzoyl chloride to give the corresponding adducts 1+cyc, 1+acy, 2+cyc, and 2+acy, respectively. The reduction of 1+cyc and 2+cyc derived from cyclic carbenes affords the corresponding radicals 1cyc and 2cyc that are stable at room temperature. In contrast, radicals 1acy and 2acy, derived from acyclic carbenes, cannot be isolated. It is shown that 1acy is as thermodynamically stabilized as its cyclic counterpart 1cyc, but its instability is the result of β‐hydrogens of the nitrogen substituent, along with the enhanced flexibility around C−N bonds, which allow for a H.‐migration‐elimination process. Radical 2acy is thermodynamically unstable, and undergoes disproportionation into the corresponding iminium 2+acy and enolate 2−acy. This is due to the excessive steric hindrance, which prevents electron‐delocalization on the NCCO fragment, and thus, the capto‐dative stabilization. This work suggests general guidelines for the design of highly persistent (amino)(carboxy)radicals, especially by emphasizing the key advantage of cyclic patterns.
Impact of pre‐transplant depression on outcomes of allogeneic and autologous hematopoietic stem cell transplantation
Authors: El‐Jawahri Areej , Chen Yi‐Bin , Brazauskas Ruta , He Naya , Lee Stephanie J. , Knight Jennifer M. , Majhail Navneet , Buchbinder David , Schears Raquel M. , Wirk Baldeep M. , Wood William A. , Ahmed Ibrahim , Aljurf Mahmoud , Szer Jeff , Beattie Sara M. , Battiwalla Minoo , Dandoy Christopher , Diaz Miguel‐Angel , D'Souza Anita , Freytes Cesar O. , Gajewski James , Gergis Usama , Hashmi Shahrukh K. , Jakubowski Ann , Kamble Rammurti T. , Kindwall‐Keller Tamila , Lazarus Hilard M. , Malone Adriana K. , Marks David I. , Meehan Kenneth , Savani Bipin N. , Olsson Richard F. , Rizzieri David , Steinberg Amir , Speckhart Dawn , Szwajcer David , Schoemans Helene , Seo Sachiko , Ustun Celalettin , Atsuta Yoshiko , Dalal Jignesh , Sales‐Bonfim Carmem , Khera Nandita , Hahn Theresa , Saber Wael 
Published: January 2017

BACKGROUNDTo evaluate the impact of depression before autologous and allogeneic hematopoietic cell transplantation (HCT) on clinical outcomes post‐transplantation.METHODSWe analyzed data from the Center for International Blood and Marrow Transplant Research to compare outcomes after autologous (n = 3786) or allogeneic (n = 7433) HCT for adult patients with hematologic malignancies with an existing diagnosis of pre‐HCT depression requiring treatment versus those without pre‐HCT depression. Using Cox regression models, we compared overall survival (OS) between patients with or without depression. We compared the number of days alive and out of the hospital in the first 100 days post‐HCT using Poisson models. We also compared the incidence of grade 2‐4 acute and chronic graft‐versus‐host disease (GVHD) in allogeneic HCT.RESULTSThe study included 1116 (15%) patients with pre‐transplant depression and 6317 (85%) without depression who underwent allogeneic HCT between 2008 and 2012. Pre‐transplant depression was associated with lower OS (hazard ratio [HR], 1.13; 95% confidence interval [CI], 1.04‐1.23; P = 0.004) and a higher incidence of grade 2‐4 acute GVHD (HR, 1.25; 95% CI, 1.14‐1.37; P < 0.0001), but similar incidence of chronic GVHD. Pre‐transplant depression was associated with fewer days‐alive‐and‐out‐of‐the hospital (means ratio [MR] = 0.97; 95% CI, 0.95‐0.99; P = 0.004). There were 512 (13.5%) patients with Pre‐transplant depression and 3274 (86.5%) without depression who underwent autologous HCT. Pre‐transplant depression in autologous HCT was not associated with OS (HR, 1.15; 95% CI, 0.98‐1.34; P = 0.096) but was associated with fewer days alive and out of the hospital (MR, 0.98; 95% CI, 0.97‐0.99; P = 0.002).CONCLUSIONPre‐transplant depression was associated with lower OS and higher risk of acute GVHD among allogeneic HCT recipients and fewer days alive and out of the hospital during the first 100 days after autologous and allogeneic HCT. Patients with pre‐transplant depression represent a population that is at risk for post‐transplant complications. Cancer 2017;123:1828–1838. © 2017 American Cancer Society.
Self‐admission to inpatient treatment for patients with anorexia nervosa: The patient's perspective
Authors: Strand Mattias , Bulik Cynthia M. , von Hausswolff‐Juhlin Yvonne , Gustafsson Sanna A. 
Published: January 2017

AbstractThe aim of the present study was to explore patients’ experiences of participating in a self‐admission program at a specialist eating disorders clinic. Sixteen adult program participants with a diagnosis of anorexia nervosa were interviewed at 6 months about their experiences in the self‐admission program. A qualitative content analysis approach was applied to identify recurring themes. Four themes were identified: Agency and Flexibility, Functions, Barriers, and Applicability. Participants used self‐admission to boost healthy behaviors, to prevent deterioration, to forestall the need for longer periods of hospitalizations, and to get a break from overwhelming demands. Quick access to brief admissions provides a safety net that can increase feelings of security in everyday life, even for patients who do not actually make use of the opportunity to self‐admit. It also provided relief to participants' relatives. Furthermore, participants experienced that self‐admission may foster agency and motivation. However, the model also requires a certain level of maturity and an encouraging environment to overcome barriers that could otherwise hinder optimal use, such as ambivalence in asking for help. Informants experienced that self‐admission could allow them to gain greater insight into their disease process, take greater responsibility for their recovery, and transform their health care from crisis‐driven to proactive. By offering a shift in perspective on help‐seeking and participation, self‐admission may potentially strengthen participants’ internal responsibility for their treatment and promote partnership in treatment.
Body checking in non‐clinical women: Experimental evidence of a specific impact on fear of uncontrollable weight gain
Authors: Bailey Natalie , Waller Glenn 
Published: January 2017

AbstractBody checking is used widely among clinical and non‐clinical individuals. It is suggested to be a safety behavior, reducing anxiety initially but potentially enhancing eating and shape concerns in the longer term. However, there is little causal evidence of those negative effects. This experimental study tests the potential negative impact of body checking. Fifty non‐clinical women took part in a study of the effects of body checking in naturalistic settings. Each checked their wrist size every 15 minutes for eight hours on one day, then did not check the next day (order randomized). The impact on eating cognitions and body dissatisfaction was measured at the end of each day, and levels of change in those characteristics were also associated with eating pathology levels. Body checking did not result in more negative general eating attitudes or body dissatisfaction, but did result in a significant increase in a specific cognition that is hypothesised to be relevant to eating pathology – the fear of uncontrollable weight gain following eating. This impact was greater among those women with more negative existing eating attitudes. These findings add to the small experimental evidence base, demonstrating negative causal links between body checking and eating pathology. The findings need to be extended to clinical groups, but support the use of existing cognitive‐behavioral methods to reduce body checking behavior.
Model‐based estimators of density and connectivity to inform conservation of spatially structured populations
Authors: Morin Dana J. , Fuller Angela K. , Royle J. Andrew , Sutherland Chris 
Published: January 2017

AbstractConservation and management of spatially structured populations is challenging because solutions must consider where individuals are located, but also differential individual space use as a result of landscape heterogeneity. A recent extension of spatial capture–recapture (SCR) models, the ecological distance model, uses spatial encounter histories of individuals (e.g., a record of where individuals are detected across space, often sequenced over multiple sampling occasions), to estimate the relationship between space use and characteristics of a landscape, allowing simultaneous estimation of both local densities of individuals across space and connectivity at the scale of individual movement. We developed two model‐based estimators derived from the SCR ecological distance model to quantify connectivity over a continuous surface: (1) potential connectivity—a metric of the connectivity of areas based on resistance to individual movement; and (2) density‐weighted connectivity (DWC)—potential connectivity weighted by estimated density. Estimates of potential connectivity and DWC can provide spatial representations of areas that are most important for the conservation of threatened species, or management of abundant populations (i.e., areas with high density and landscape connectivity), and thus generate predictions that have great potential to inform conservation and management actions. We used a simulation study with a stationary trap design across a range of landscape resistance scenarios to evaluate how well our model estimates resistance, potential connectivity, and DWC. Correlation between true and estimated potential connectivity was high, and there was positive correlation and high spatial accuracy between estimated DWC and true DWC. We applied our approach to data collected from a population of black bears in New York, and found that forested areas represented low levels of resistance for black bears. We demonstrate that formal inference about measures of landscape connectivity can be achieved from standard methods of studying animal populations which yield individual encounter history data such as camera trapping. Resulting biological parameters including resistance, potential connectivity, and DWC estimate the spatial distribution and connectivity of the population within a statistical framework, and we outline applications to many possible conservation and management problems.
Landscape‐scale fuel treatment and wildfire impacts on carbon stocks and fire hazard in California spotted owl habitat
Authors: Chiono Lindsay A. , Fry Danny L. , Collins Brandon M. , Chatfield Andrea H. , Stephens Scott L. 
Published: January 2017

AbstractForest managers are challenged with meeting numerous demands that often include wildlife habitat and carbon (C) sequestration. We used a probabilistic framework of wildfire occurrence to (1) estimate the potential for fuel treatments to reduce fire risk and hazard across the landscape and within protected California spotted owl (Strix occidentalis occidentalis) habitat and (2) evaluate the consequences of treatments with respect to terrestrial C stocks and burning emissions. Silvicultural and prescribed fire treatments were simulated on 20% of a northern Sierra Nevada landscape in three treatment scenarios that varied in the land area eligible for treatment. Treatment prescriptions varied with topography, vegetation characteristics, and ownership. We then simulated many wildfires in the treated and untreated landscapes. Additional simulations allowed us to consider the influence of wildfire size on estimated emissions. Treatments constrained to the land area outside of spotted owl activity centers reduced the probability of burning and potential fire intensity within owl habitat and across the landscape relative to no‐treatment scenarios. Allowing treatment of the activity centers achieved even greater fire hazard reductions within the activity centers. Treatments also reduced estimated wildfire emissions of C by 45–61%. However, emissions from prescribed burning exceeded simulated reductions in wildfire emissions. Consequently, all treatment scenarios resulted in higher C emissions than the no‐treatment scenarios. Further, for wildfires of moderate size (714–2133 ha), the treatment scenarios reduced the C contained in live tree biomass following simulated wildfire. When large wildfires (8070–10,757 ha) were simulated, however, the treatment scenario retained more live tree C than the no‐treatment scenario. Our approach, which estimated terrestrial C immediately following wildfire, did not account for long‐term C dynamics, such as emissions associated with post‐wildfire decay, C sequestration by future forest growth, or longer‐term C sequestration in structural wood products. While simulated landscape fuel treatments in the present study reduced the risk of uncharacteristically severe wildfire across the landscape and within protected habitat, the C costs of treatment generally exceeded the C benefits.
Pain‐evoked trunk muscle activity changes during fatigue and DOMS
Authors: Larsen L.H. , Hirata R.P. , Graven‐Nielsen T. 
Published: January 2017

AbstractBackgroundMuscle pain may reorganize trunk muscle activity but interactions with exercise‐related muscle fatigue and delayed onset muscle soreness (DOMS) is to be clarified.MethodsIn 19 healthy participants, the trunk muscle activity during 20 multi‐directional unpredictable surface perturbations were recorded after bilateral isotonic saline injections (control) and during unilateral and bilateral hypertonic saline‐induced low back pain (LBP) in conditions of back muscle fatigue (Day‐1) and DOMS (Day‐2). Pain intensity and distribution were assessed by visual analogue scale (VAS) scores and pain drawings. The degree of fatigue and DOMS were assessed by Likert scale scores. Root‐mean‐square electromyographic (RMS‐EMG) signals were recorded post‐perturbation from six bilateral trunk muscles and the difference from baseline conditions (Delta‐RMS‐EMG) was extracted and averaged across abdominal and back muscles.ResultsIn DOMS, peak VAS scores were higher during bilateral control and bilateral saline‐induced pain than fatigue (p < 0.001) and during bilateral compared with unilateral pain (p < 0.001). The saline‐induced pain areas were larger during DOMS than fatigue (p < 0.01). In response to surface perturbations during fatigue and DOMS, the back muscle Delta‐RMS‐EMG increased during bilateral compared with unilateral pain and control injections (p < 0.001) and decreased during unilateral pain compared with control injections (p < 0.04). In DOMS compared with fatigue, the post‐perturbation Delta‐RMS‐EMG in back muscles was higher during bilateral pain and lower during unilateral pain (p < 0.001). The abdominal Delta‐RMS‐EMG was not significantly affected.ConclusionFacilitated and attenuated back muscle responses to surface perturbations in bilateral and unilateral LBP, respectively, was more expressed during exercise‐induced back muscle soreness compared with fatigue.SignificanceBack muscle activity decreased during unilateral and increased during bilateral pain after unpredictable surface perturbations during muscle fatigue and DOMS. Accumulation effects of DOMS on pain intensity and spreading and trunk muscle activity after pain‐induction.
Shake table tests on standard and innovative temporary partition walls
Authors: Petrone Crescenzo , Magliulo Gennaro , Manfredi Gaetano 
Published: January 2017

SummaryShake table tests are performed on temporary internal partitions for office buildings. Four different specimens are tested. A steel frame is designed to exhibit relative displacements which typically occur at a given story of ordinary buildings. Four different partition walls are tested simultaneously for each specimen typology. This allows investigating the influence of an innovative device on the seismic performance of the tested components. The innovative device avoids the unhooking of the panels from the supporting studs. Several shake table tests are performed subjecting the specimens to interstory drift ratios up to 1.57%. Both the hysteretic curves and the natural frequency trend highlight that the partitions do not contribute to the lateral stiffness of the test setup. The damping ratio increases after the partition walls are installed within the test frame, causing a beneficial effect in the dynamic response. Minor damage state occurs for interstory drift ratio (IDR) in the range 0.41–0.65% in standard specimens, whereas moderate and major damage states are attained for IDR in the range 0.51–0.95%. Significant increase of collapse IDR is recorded with the introduction of the innovative device, up to IDR larger than 1.45%. It can be therefore concluded that a simple innovative device is defined, which significantly improves the seismic performance of the tested specimen. Copyright © 2017 John Wiley & Sons, Ltd.