bluuebunny/crossref_metadata_2025_split huggingface dataset:
Philosophy of Selection (Natural, Sexual and Drift)
Authors: Pievani Telmo 
Published: April 2015

Abstract

Four main ingredients are necessary for the recipe of natural selection: a common demanding and competitive environment; individual, spontaneous variation; inheritance of part of this variation and a sufficient time frame. The result is a differential survival and reproduction of varying individuals, multiplied over generations: self‐reproducing lineages of organisms change over time. As a statistical process with probabilistic outcomes, natural selection can be explained without using misleading terms such as “adaptation” and “chance”. The selective process is an experienced fact in nature and an explanatory pattern that could be generalised in different forms (such as sexual selection, kin selection and so on). Despite its strong explanatory power, natural selection is a constrained process and is not self‐sufficient: it is the pivot within a plurality of complementary and alternative explanatory patterns, the most important of which is the genetic drift.

Key Concepts

Natural selection cannot be reduced to easy metaphors such as “survival of the fittest” or “survival of the strongest”.

As differential survival and reproduction over generations, natural selection can be described without references to slippery words such as “adaptation” and “chance”.

Natural selection has been the first scientific explanation able to replace the “argument from design” of natural theology.

Saying that we are products of natural selection does not mean that we are children of purely fortuitous chains of events.

It is a mistake to assign to natural selection the old (intentional) attributes of a “designer”.

Natural selection needs two additional demanding requirements to occur: a continuously emerging variation and a perceived individual advantage.

Survival and reproduction are two faces of the same coin, inseparable.

Natural selection can be generalised into “selective processes”.

Genetic drift is another probabilistic sampling process, but with nonselective outcomes.

Selective processes do not work in a
vacuum
, but find case by case trade‐offs with structural constraints and constraints to variation.
A Combination of Spin Diffusion Methods for the Determination of Protein–Ligand Complex Structural Ensembles
Authors: Pilger Jens , Mazur Adam , Monecke Peter , Schreuder Herman , Elshorst Bettina , Bartoschek Stefan , Langer Thomas , Schiffer Alexander , Krimm Isabelle , Wegstroth Melanie , Lee Donghan , Hessler Gerhard , Wendt K.‐Ulrich , Becker Stefan , Griesinger Christian 
Published: April 2015

AbstractStructure‐based drug design (SBDD) is a powerful and widely used approach to optimize affinity of drug candidates. With the recently introduced INPHARMA method, the binding mode of small molecules to their protein target can be characterized even if no spectroscopic information about the protein is known. Here, we show that the combination of the spin‐diffusion‐based NMR methods INPHARMA, trNOE, and STD results in an accurate scoring function for docking modes and therefore determination of protein–ligand complex structures. Applications are shown on the model system protein kinase A and the drug targets glycogen phosphorylase and soluble epoxide hydrolase (sEH). Multiplexing of several ligands improves the reliability of the scoring function further. The new score allows in the case of sEH detecting two binding modes of the ligand in its binding site, which was corroborated by X‐ray analysis.
Molecular Structure and Dynamics of Water at the Water–Air Interface Studied with Surface‐Specific Vibrational Spectroscopy
Authors: Bonn Mischa , Nagata Yuki , Backus Ellen H. G. 
Published: April 2015

AbstractWater interfaces provide the platform for many important biological, chemical, and physical processes. The water–air interface is the most common and simple aqueous interface and serves as a model system for water at a hydrophobic surface. Unveiling the microscopic (<1 nm) structure and dynamics of interfacial water at the water–vapor interface is essential for understanding the processes occurring on the water surface. At the water interface the network of very strong intermolecular interactions, hydrogen‐bonds, is interrupted and the density of water is reduced. A central question regarding water at interfaces is the extent to which the structure and dynamics of water molecules are influenced by the interruption of the hydrogen‐bonded network and thus differ from those of bulk water. Herein, we discuss recent advances in the study of interfacial water at the water–air interface using laser‐based surface‐specific vibrational spectroscopy.
Controllable Scission and Seamless Stitching of Metal–Organic Clusters by STM Manipulation
Authors: Kong Huihui , Wang Likun , Sun Qiang , Zhang Chi , Tan Qinggang , Xu Wei 
Published: April 2015

AbstractScanning tunneling microscopy (STM) manipulation techniques have proven to be a powerful method for advanced nanofabrication of artificial molecular architectures on surfaces. With increasing complexity of the studied systems, STM manipulations are then extended to more complicated structural motifs. Previously, the dissociation and construction of various motifs have been achieved, but only in a single direction. In this report, the controllable scission and seamless stitching of metal–organic clusters have been successfully achieved through STM manipulations. The system presented here includes two sorts of hierarchical interactions where coordination bonds hold the metal–organic elementary motifs while hydrogen bonds among elementary motifs are directly involved in bond breakage and re‐formation. The key to making this reversible switching successful is the hydrogen bonding, which is comparatively facile to be broken for controllable scission, and, on the other hand, the directional characteristic of hydrogen bonding makes precise stitching feasible.
The effect of mechanical recycling on the microstructure and properties of PA66 composites reinforced with carbon fibers
Authors: Colucci Giovanna , Ostrovskaya Oxana , Frache Alberto , Martorana Brunetto , Badini Claudio 
Published: April 2015

ABSTRACTThis article aims to prepare by injection molding recycled polymeric composites based on PA66 reinforced with short carbon fibers after artificial aging for applications in the automotive field. The aging cycles involves the combined action of UV radiation, moisture, and temperature in order to simulate the common outdoor conditions. The 100% recycled composites are obtained by the regranulation of the aged specimens followed by the remelting and re‐injection molding. The study is focused on the comparison between the mechanical behavior and the microstructure of the composites before and after mechanical recycling. The results of mechanical, thermal, and morphological investigations reveal that the recycling process had no significant effect on the final properties and microstructure of the recycled composites. Therefore the recycled PA66CF30 composites could be successfully used for structural or semi‐structural automotive applications guaranteeing good final performances and advantages from the environmental point of view. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42275.
Capacity Constraints and Public Financial Management in SmallPacific Island Countries
Authors: Haque Tobias Akhtar , Knight David , Jayasuriya Dinuk 
Published: April 2015

AbstractSound public financial management is a key concern of Pacific island country governments and their development partners. Public Expenditure and Financial Accountability assessments have become a ubiquitous tool for assessing public financial management performance in the region. This paper summarizes Pacific island country performance using global data and identifies a relationship between small population size and lower scores in Public Expenditure and Financial Accountability assessments. This relationship reflects capacity constraints to successful implementation of capacity‐intensive public financial management functions measured in such assessments. The analysis suggests that high scores may be an unrealistic and inappropriate goal for Pacific governments and development partners. Greater account should be taken of population‐related capacity constraints when designing and implementing public financial management reforms. Scarce capacity should be prioritized towards binding constraints to service delivery and macroeconomic management, rather than dispersed in attempts to improve assessment scores through adopting capacity‐intensive ‘best‐practice’ systems.
Epidural analgesia and perioperative kidney function after major liver resection
Authors: Kambakamba P , Slankamenac K , Tschuor C , Kron P , Wirsching A , Maurer K , Petrowsky H , Clavien P A , Lesurtel M 
Published: April 2015

AbstractBackgroundEpidural analgesia (EDA) is a common analgesia regimen in liver resection, and is accompanied by sympathicolysis, peripheral vasodilatation and hypotension in the context of deliberate intraoperative low central venous pressure. This associated fall in mean arterial pressure may compromise renal blood pressure autoregulation and lead to acute kidney injury (AKI). This study investigated whether EDA is a risk factor for postoperative AKI after liver surgery.MethodsThe incidence of AKI was investigated retrospectively in patients who underwent liver resection with or without EDA between 2002 and 2012. Univariable and multivariable analyses were performed including recognized preoperative and intraoperative predictors of posthepatectomy renal failure.ResultsA series of 1153 patients was investigated. AKI occurred in 8·2 per cent of patients and was associated with increased morbidity (71 versus 47·3 per cent; P = 0·003) and mortality (21 versus 0·3 per cent; P &lt; 0·001) rates. The incidence of AKI was significantly higher in the EDA group (10·1 versus 3·7 per cent; P = 0·003). Although there was no significant difference in the incidence of AKI between patients undergoing minor hepatectomy with or without EDA (5·2 versus 2·7 per cent; P = 0·421), a substantial difference in AKI rates occurred in patients undergoing major hepatectomy (13·8 versus 5·0 per cent; P = 0·025). In multivariable analysis, EDA remained an independent risk factor for AKI after hepatectomy (P = 0·040).ConclusionEDA may be a risk factor for postoperative AKI after major hepatectomy.
Ba3V2S4O3: A Mott Insulating Frustrated Quasi‐One‐Dimensional S=1 Magnet
Authors: Hopkins Emily J. , Prots Yurii , Burkhardt Ulrich , Watier Yves , Hu Zhiwei , Kuo Chang‐Yang , Chiang Jen‐Che , Pi Tun‐Wen , Tanaka Arata , Tjeng Liu Hao , Valldor Martin 
Published: April 2015

AbstractThrough a solid‐state reaction, a practically phase pure powder of Ba3V2S4O3 was obtained. The crystal structure was confirmed by X‐ray single‐crystal and synchrotron X‐ray powder diffraction (P63, a=10.1620(2), c=5.93212(1) Å). X‐ray absorption spectroscopy, in conjunction with multiplet calculations, clearly describes the vanadium in charge‐disproportionated VIIIS6 and VVSO3 coordinations. The compound is shown to be a strongly correlated Mott insulator, which contradicts previous predictions. Magnetic and specific heat measurements suggest dominant antiferromagnetic spin interactions concomitant with a weak residual ferromagnetic component, and that intrinsic geometric frustration prevents long‐range order from evolving.
Evolution of a Short Route to Strychnine by Using the Samarium‐Diiodide‐Induced Cascade Cyclization as a Key Step
Authors: Beemelmanns Christine , Reissig Hans‐Ulrich 
Published: April 2015

AbstractThis comprehensive report accounts the development of a highly diastereoselective samarium diiodide‐induced cascade reaction of substituted indolyl ketones. The complexity‐generating transformation with SmI2 allows the diastereoselective generation of three stereogenic centers including one quaternary center in one step. The obtained tetra‐ or pentacyclic dihydroindole derivatives are structural motifs of many monoterpene indole alkaloids, and their subsequent transformations gave way to one of the shortest approaches towards strychnine (14 % overall yield in ten steps, or 10 % overall yield in eight steps). During the course of this report we discuss the influence of substituents on the cyclization step, plausible mechanistic scenarios for the SmI2‐induced cascade reaction, diastereoselective reductive amination, and regioselective dehydratization protocols towards the pentacyclic core structure of strychnos alkaloids.
Autoinduced Catalysis and Inverse Equilibrium Isotope Effect in the Frustrated Lewis Pair Catalyzed Hydrogenation of Imines
Authors: Tussing Sebastian , Greb Lutz , Tamke Sergej , Schirmer Birgitta , Muhle‐Goll Claudia , Luy Burkhard , Paradies Jan 
Published: April 2015

AbstractThe frustrated Lewis pair (FLP)‐catalyzed hydrogenation and deuteration of N‐benzylidene‐tert‐butylamine (2) was kinetically investigated by using the three boranes B(C6F5)3 (1), B(2,4,6‐F3‐C6H2)3 (4), and B(2,6‐F2‐C6H3)3 (5) and the free activation energies for the H2 activation by FLP were determined. Reactions catalyzed by the weaker Lewis acids 4 and 5 displayed autoinductive catalysis arising from a higher free activation energy (2 kcal mol−1) for the H2 activation by the imine compared to the amine. Surprisingly, the imine reduction using D2 proceeded with higher rates. This phenomenon is unprecedented for FLP and resulted from a primary inverse equilibrium isotope effect.
Optimal DNA Templates for Rolling Circle Amplification Revealed by In Vitro Selection
Authors: Mao Yu , Liu Meng , Tram Kha , Gu Jimmy , Salena Bruno J. , Jiang Yuyang , Li Yingfu 
Published: April 2015

AbstractRolling circle amplification (RCA) has been widely used as an isothermal DNA amplification technique for diagnostic and bioanalytical applications. Because RCA involves repeated copying of the same circular DNA template by a DNA polymerase thousands of times, we hypothesized there exist DNA sequences that can function as optimal templates and produce more DNA amplicons within an allocated time. Herein we describe an in vitro selection effort conducted to search from a random sequence DNA pool for such templates for phi29 DNA polymerase, a frequently used polymerase for RCA. Diverse DNA molecules were isolated and they were characterized by richness in adenosine (A) and cytidine (C) nucleotides. The top ranked sequences exhibit superior RCA efficiency and the use of these templates for RCA results in significantly improved detection sensitivity. AC‐rich sequences are expected to find useful applications for setting up effective RCA assays for biological sensing.
Selective Inhibitors of the Protein Tyrosine Phosphatase SHP2 Block Cellular Motility and Growth of Cancer Cells in vitro and in vivo
Authors: Grosskopf Stefanie , Eckert Chris , Arkona Christoph , Radetzki Silke , Böhm Kerstin , Heinemann Udo , Wolber Gerhard , von Kries Jens‐Peter , Birchmeier Walter , Rademann Jörg 
Published: April 2015

AbstractSelective inhibitors of the protein tyrosine phosphatase SHP2 (src homology region 2 domain phosphatase; PTPN11), an enzyme that is deregulated in numerous human tumors, were generated through a combination of chemical synthesis and structure‐based rational design. Seventy pyridazolon‐4‐ylidenehydrazinyl benzenesulfonates were prepared and evaluated in enzyme assays. The binding modes of active inhibitors were simulated in silico using a newly generated crystal structure of SHP2. The most powerful compound, GS‐493 (4‐{(2Z)‐2‐[1,3‐bis(4‐nitrophenyl)‐5‐oxo‐1,5‐dihydro‐4H‐pyrazol‐4‐yliden]hydrazino}benzenesulfonic acid; 25) inhibited SHP2 with an IC50 value of 71±15 nM in the enzyme assay and was 29‐ and 45‐fold more active toward SHP2 than against related SHP1 and PTP1B. In cell culture experiments compound 25 was found to block hepatocyte growth factor (HGF)‐stimulated epithelial–mesenchymal transition of human pancreatic adenocarcinoma (HPAF) cells, as indicated by a decrease in the minimum neighbor distances of cells. Moreover, 25 inhibited cell colony formation in the non‐small‐cell lung cancer cell line LXFA 526L in soft agar. Finally, 25 was observed to inhibit tumor growth in a murine xenograft model. Therefore, the novel specific compound 25 strengthens the hypothesis that SHP2 is a relevant protein target for the inhibition of mobility and invasiveness of cancer cells.
Effects of a clinician referral and exercise program for men who have completed active treatment for prostate cancer: A multicenter cluster randomized controlled trial (ENGAGE)
Authors: Livingston Patricia M. , Craike Melinda J. , Salmon Jo , Courneya Kerry S. , Gaskin Cadeyrn J. , Fraser Steve F. , Mohebbi Mohammadreza , Broadbent Suzanne , Botti Mari , Kent Bridie ,   the ENGAGE Uro‐Oncology Clinicians' Group
Published: April 2015

BACKGROUNDThe purpose of this study was to determine the efficacy of a clinician referral and exercise program in improving exercise levels and quality of life for men with prostate cancer.METHODSThis was a multicenter cluster randomized controlled trial in Melbourne, Australia comprising 15 clinicians: 8 clinicians were randomized to refer eligible participants (n = 54) to a 12‐week exercise program comprising 2 supervised gym sessions and 1 home‐based session per week, and 7 clinicians were randomized to follow usual care (n = 93). The primary outcome was self‐reported physical activity; the secondary outcomes were quality of life, anxiety, and symptoms of depression.RESULTSA significant intervention effect was observed for vigorous‐intensity exercise (effect size: Cohen's d, 0.46; 95% confidence interval [CI], 0.09‐0.82; P = .010) but not for combined moderate and vigorous exercise levels (effect size: d, 0.08; 95% CI, −0.28 to 0.45; P = .48). Significant intervention effects were also observed for meeting exercise guidelines (≥150 min/wk; odds ratio, 3.9; 95% CI, 1.9‐7.8; P = .002); positive intervention effects were observed in the intervention group for cognitive functioning (effect size: d, 0.34; 95% CI, −0.02 to 0.70; P = .06) and depression symptoms (effect size: d, −0.35; 95% CI, −0.71 to 0.02; P = .06). Eighty percent of participants reported that the clinician's referral influenced their decision to participate in the exercise program.CONCLUSIONSThe clinician referral and 12‐week exercise program significantly improved vigorous exercise levels and had a positive impact on mental health outcomes for men living with prostate cancer. Further research is needed to determine the sustainability of the exercise program and its generalizability to other cancer populations. Cancer 2015;121:2646–2654. © 2015 American Cancer Society.
Delay of treatment change after objective progression on first‐line erlotinib in epidermal growth factor receptor‐mutant lung cancer
Authors: Lo Peter C. , Dahlberg Suzanne E. , Nishino Mizuki , Johnson Bruce E. , Sequist Lecia V. , Jackman David M. , Jänne Pasi A. , Oxnard Geoffrey R. 
Published: April 2015

BACKGROUNDErlotinib is a highly active epidermal growth factor receptor (EGFR) kinase inhibitor that is approved for first‐line use in lung cancers harboring EGFR mutations. Anecdotal experience suggests that this drug may provide continued disease control after patients develop objective progression of disease (PD), although this has not been systematically studied to date.METHODSPatients who had Response Evaluation Criteria In Solid Tumors‐defined PD who were participating in 3 prospective trials of first‐line erlotinib in advanced lung cancer were studied retrospectively, and the progression characteristics were compared between patients with and without EGFR‐sensitizing mutations. Factors were studied that influenced the time until treatment change (TTC), defined as the time from PD to the start of a new systemic therapy or death. The rate of tumor progression was assessed by comparing tumor measurements between the computed tomography scan obtained at the time of PD and the preceding scan.RESULTSIn total, 92 eligible patients were studied, including 42 with and 50 without an EGFR‐sensitizing mutation. The EGFR‐mutant cohort had a slower rate of progression (P = .003) and a longer TTC (P < .001). Among the patients with EGFR‐mutant cancers, 28 (66%) continued single‐agent erlotinib after PD, and 21 (50%) were able to delay a change in systemic therapy for >3 months; only 2 patients received local debulking therapy during that period. Multivariate analysis of the patients with EGFR‐mutant tumors demonstrated that a longer time to progression, a slower rate of progression, and a lack of new extrathoracic metastases were associated with a longer TTC.CONCLUSIONSA change in systemic therapy commonly can be delayed in patients with EGFR‐mutant lung cancer who objectively progress on first‐line erlotinib, particularly in those with a longer time to progression, a slow rate of progression, and a lack of new extrathoracic metastases. Cancer 2015;121:2570–2577. © 2015 American Cancer Society.
Immunologic evidence of a strong association between non‐Hodgkin lymphoma and simian virus 40
Authors: Tognon Mauro , Luppi Mario , Corallini Alfredo , Taronna Angelo , Barozzi Patrizia , Rotondo John Charles , Comar Manola , Casali Maria Vittoria , Bovenzi Massimo , D'Agostino Antonio , Vinante Fabrizio , Rigo Antonella , Ferrarini Isacco , Barbanti‐Brodano Giuseppe , Martini Fernanda , Mazzoni Elisa 
Published: April 2015

BACKGROUNDNon‐Hodgkin lymphoma (NHL), the most common cancer of the lymphatic system, is of unknown etiology. The identification of etiologic factors in the onset of NHL is a key event that could facilitate the prevention and cure of this malignancy. Simian virus 40 (SV40) has been considered an oncogenic agent in the onset/progression of NHL.METHODSIn this study, an indirect enzyme‐linked immunosorbent assay with 2 synthetic peptides that mimic SV40 antigens of viral capsid proteins 1 to 3 was employed to detect specific antibodies against SV40. Serum samples were taken from 2 distinct cohorts of NHL‐affected patients (NHL1 [n = 89] and NHL2 [n = 61]) along with controls represented by oncologic patients affected by breast cancer (BC; n = 78) and undifferentiated nasopharyngeal carcinoma (UNPC; n = 64) and 3 different cohorts of healthy subjects (HSs; HS1 [n = 130], HS2 [n = 83], and HS3 [n = 87]).RESULTSImmunologic data indicated that in serum samples from NHL patients, antibodies against SV40 mimotopes were detectable with a prevalence of 40% in NHL1 patients and with a prevalence of 43% in NHL2 patients. In HSs of the same median age as NHL patients, the prevalence was 16% for the HS1 group (57 years) and 14% for the HS2 group (65 years). The difference was statistically significant (P < .0001 and P < .001). Interestingly, the difference between NHL1/NHL2 patients and BC patients (40%/43% vs 15%, P < .001) and between NHL1/NHL2 patients and UNPC patients (40%/43% vs 25%, P < .05) was significant.CONCLUSIONSOur data indicate a strong association between NHL and SV40 and thus a need for innovative therapeutic approaches for this hematologic malignancy. Cancer 2015;121:2618–2626. © 2015 American Cancer Society.