bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cystobactamid 507: Concise Synthesis, Mode of Action, and Optimization toward More Potent Antibiotics
Authors: Elgaher Walid A. M. , Hamed Mostafa M. , Baumann Sascha , Herrmann Jennifer , Siebenbürger Lorenz , Krull Jana , Cirnski Katarina , Kirschning Andreas , Brönstrup Mark , Müller Rolf , Hartmann Rolf W. 
Published: January 2020

AbstractLack of new antibiotics and increasing antimicrobial resistance are among the main concerns of healthcare communities nowadays, and these concerns necessitate the search for novel antibacterial agents. Recently, we discovered the cystobactamids—a novel natural class of antibiotics with broad‐spectrum antibacterial activity. In this work, we describe 1) a concise total synthesis of cystobactamid 507, 2) the identification of the bioactive conformation using noncovalently bonded rigid analogues, and 3) the first structure–activity relationship (SAR) study for cystobactamid 507 leading to new analogues with high metabolic stability, superior topoisomerase IIA inhibition, antibacterial activity and, importantly, stability toward the resistant factor AlbD. Deeper insight into the mode of action revealed that the cystobactamids employ DNA minor‐groove binding as part of the drug–target interaction without showing significant intercalation. By designing a new analogue of cystobactamid 919‐2, we finally demonstrated that these findings could be further exploited to obtain more potent hexapeptides against Gram‐negative bacteria.
Three‐Coordinate Rhodium Complexes in Low Oxidation States
Authors: Varela‐Izquierdo Víctor , López José A. , de Bruin Bas , Tejel Cristina , Ciriano Miguel A. 
Published: January 2020

AbstractThe isolation of simultaneously low‐coordinate and low‐valent compounds is a timeless challenge for preparative chemists. This work showcases the preparation and full characterization of tri‐coordinate rhodium(‐I) and rhodium(0) complexes as well as a rare rhodium(I) complex. Reduction of [{Rh(μ‐Cl)(IPr)(dvtms)}2] (1, IPr=1,3‐bis(2,6‐diisopropylphenyl)imidazolyl‐2‐ylidene; dvtms=divinyltetramethyldisiloxane) with KC8 gave the trigonal complexes K[Rh(IPr)(dvtms)] and [Rh(IPr)(dvtms)], whereas the cation [Rh(IPr)(dvtms)]+ results from their oxidation or by abstraction of chloride from 1 with silver salts. The paramagnetic Rh0 complex is a unique fully metal‐centered radical with the unpaired electron in the dz2 orbital. The Rh(‐I) complex reacts with PPh3 with replacement of the NHC ligand, and behaves as a nucleophile, which upon reaction with [AuCl(PPh3)] generates the trigonal pyramidal complex [(IPr)(dvtms)Rh‐Au(PPh3)] with a metal–metal bond between two d10 metal centers.
Real textile wastewater treatment using nano graphene‐based materials: Optimum pH, dosage, and kinetics for colour and turbidity removal
Authors: de Araújo Caroline M. B. , Oliveira do Nascimento Gabriel F. , Bezerra da Costa Gabriel R. , Baptisttella Ana M. S. , Fraga Tiago J. M. , de Assis Filho Romero B. , Ghislandi Marcos G. , da Motta Sobrinho Mauricio A. 
Published: January 2020

AbstractTextile effluent is one of the most hazardous types of wastewater for both the environment and human health when discharged without proper treatment. This work stands out as one of the first to evaluate the parameters for the application of graphene oxide (GO) to treat real textile wastewater. A comparative analysis was conducted to investigate the removal efficiencies of turbidity and apparent colour from raw textile wastewater using GO. The effects of different parameters, such as GO dosage, pH, and contact time were discussed, considering a removal mechanism based on the salting out effect. Results regarding treatment using GO followed by centrifugation showed that in >1 hour nearly 90% turbidity was decreased, and an apparent colour removal efficiency over 76% was recorded, which is twice the value obtained with the conventional treatment applied in textile mills. Over 60% chemical oxygen demand was reduced. Tests using GO followed by sedimentation also revealed promising results, showing removal efficiencies of 66% and 88% for apparent colour and turbidity, respectively. These results suggest that GO could be promising for real wastewater treatment.
Oscillatory power number, power density model, and effect of restriction size for a moving‐baffle oscillatory baffled column using CFD modelling
Authors: Sutherland Kayte , Pakzad Leila , Fatehi Pedram 
Published: January 2020

AbstractAlthough single‐hole oscillatory columns have been studied since the 1990s, to this day there is an absence of appropriate dimensionless groups to express the hydrodynamic conditions and power requirement for the moving‐baffle oscillatory baffled column (OBC). This paper uses computational fluid dynamic (CFD) software coupled with moving overset meshing to aid in the derivation of the first dimensionless oscillatory power number for OBCs. In terms of the moving‐baffle OBC, this work marks the first time a power density equation has been derived specifically to account for this column's unique hydrodynamic profile. Equations for period‐averaged Reynolds number and period‐averaged Strouhal numbers were developed to better estimate the fluid intensity within these moving‐baffle columns. This work serves as an example of how complex and challenging flow regimes, such as periodically oscillating flow, can be simplified and analyzed to produce appropriate design equations.
Survival of African American and non‐Hispanic white men with prostate cancer in an equal‐access health care system
Authors: Riviere Paul , Luterstein Elaine , Kumar Abhishek , Vitzthum Lucas K. , Deka Rishi , Sarkar Reith R. , Bryant Alex K. , Bruggeman Andrew , Einck John P. , Murphy James D. , Martínez María Elena , Rose Brent S. 
Published: January 2020

BackgroundAfrican American (AA) men in the general US population are more than twice as likely to die of prostate cancer (PC) compared with non‐Hispanic white (NHW) men. The authors hypothesized that receiving care through the Veterans Affairs (VA) health system, an equal‐access medical system, would attenuate this disparity.MethodsA longitudinal, centralized database of >20 million veterans was used to assemble a cohort of 60,035 men (18,201 AA men [30.3%] and 41,834 NHW men [69.7%]) who were diagnosed with PC between 2000 and 2015.ResultsAA men were more likely to live in regions with a lower median income ($40,871 for AA men vs $48,125 for NHW men;P < .001) and lower high school graduation rates (83% for AA men vs 88% for NHW men;P < .001). At the time of diagnosis, AA men were younger (median age, 63.0 years vs 66.0 years;P < .001) and had a higher prostate‐specific antigen level (median, 6.7 ng/mL vs 6.2 ng/mL;P < .001), but were less likely to have Gleason score 8 to 10 disease (18.8% among AA men vs 19.7% among NHW men;P < .001), a clinical T classification ≥3 (2.2% vs 2.9%;P < .001), or distant metastatic disease (2.7% vs 3.1%;P = 0.01). The 10‐year PC‐specific mortality rate was slightly lower for AA men (4.4% vs 5.1%;P = .005), which was confirmed in multivariable competing‐risk analysis (subdistribution hazard ratio, 0.85; 95% CI, 0.78‐0.93;P < .001).ConclusionsAA men diagnosed with PC in the VA health system do not appear to present with more advanced disease or experience worse outcomes compared with NHW men, in contrast to national trends, suggesting that access to care is an important determinant of racial equity.
Near‐Infrared Electrochemiluminescence from Bistridentate Ruthenium(II) Di(quinoline‐8‐yl)pyridine Complexes in Aqueous Media
Authors: Majuran Mayoorini , Armendariz‐Vidales Georgina , Carrara Serena , Haghighatbin Mohammad A. , Spiccia Leone , Barnard Peter J. , Deacon Glen B. , Hogan Conor F. , Tuck Kellie L. 
Published: January 2020

AbstractWe report the synthesis, photophysics, electrochemistry and electrochemiluminescence (ECL) of two dqp (dqp=2,6‐di(quinoline‐8‐yl)pyridine) based ruthenium(II) complexes, bearing either a n‐butyl ester (1) or the corresponding carboxylic acid functionality (2). The complexes were prepared from [Ru(dqp)(MeCN)3][PF6]2 by reaction with the dqp precursor using microwave irradiation. In both cases, photoluminescence spectra present strong 3MLCT‐based red/near‐infrared (NIR) emissions centred at about 710 nm. The photoluminescence quantum yields were 6.1 % and 1.8 % for 1 and 2 respectively while the excited state lifetimes were 3.60 μs and 2.37 μs. Both complexes are ECL active, although ECL efficiency (ΦECL) of 1 was substantially higher than 2, due to its more favourable electrochemical properties. Importantly, 1 also gave strong ECL in aqueous media, which is rare for near‐infrared emitters. The results suggest the possibility of very interesting ECL sensing applications for this class of emitter in biological media.
Synthesis of 2′‐Fluorinated Northern Methanocarbacyclic (2′‐F‐NMC) Nucleosides and Their Incorporation Into Oligonucleotides
Authors: Akabane‐Nakata Masaaki , Kumar Pawan , Erande Namrata D. , Matsuda Shigeo , Manoharan Muthiah 
Published: January 2020

AbstractThis article describes chemical synthesis of 2′‐fluorinated Northern methanocarbacyclic (2′‐F‐NMC) nucleosides and phosphoramidites, based on a bicyclo[3.1.0]hexane scaffold bearing all four natural nucleobases (U, C, A, and G), and their incorporation into oligonucleotides by solid‐supported synthesis. This synthesis starts from commercially available cyclopent‐2‐en‐1‐one to obtain the fluorinated carbocyclic pseudosugar intermediate (S.13), which can be converted to the uridine intermediate by condensation with isocyanate, followed by cyclization, and to adenine and guanine precursors by microwave‐assisted reactions. All four 2′‐F‐NMC phosphoramidites are synthesized from S.13 in a convergent approach, and the monomers are used for synthesis of 2′‐F‐NMC‐modified oligonucleotides. © 2020 by John Wiley & Sons, Inc.Basic Protocol 1: Preparation of fluorinated carbocyclic pseudosugar intermediateBasic Protocol 2: Preparation of 2′‐F‐NMC uridine and cytidine phosphoramiditesBasic Protocol 3: Preparation of 2′‐F‐NMC adenosine phosphoramiditeBasic Protocol 4: Preparation of 2′‐F‐NMC guanosine phosphoramiditeBasic Protocol 5: Synthesis of oligonucleotides containing 2ʹ‐F‐NMC
Investigating Memory Updating in Mice Using the Objects in Updated Locations Task
Authors: Wright Destiny S. , Bodinayake Kasuni K. , Kwapis Janine L. 
Published: January 2020

AbstractIn the laboratory, memory is typically studied as a de novo experience, in which a naïve animal is exposed to a discrete learning event that is markedly different from its past experiences. Most real‐world memories, however, are updates—modifications or additions—to existing memories. This is particularly true in the aging, experienced brain. To better understand memory updating, we have developed a new behavioral paradigm called the objects in updated locations (OUL) task. OUL relies on hippocampus‐dependent spatial learning and has the advantage of being able to test both the original memory and the updated information in a single test session. Further, OUL relies on incidental learning that avoids unnecessary stress that might hinder the performance of aging animals. In OUL, animals first learn the location of two identical objects in a familiar context. This memory is then updated by moving one object to a new location. Finally, to assess the animals’ memory for the original and the updated information, all animals are given a test session in which they are exposed to four copies of the object: two in the original training locations, one in the updated location, and one in a novel location. By comparing exploration of the novel location to the familiar locations, we can infer whether the animal remembers the original and updated object locations. OUL is a simple but powerful task that could provide new insights into the cellular, circuit‐level, and molecular mechanisms that support memory updating. © 2020 by John Wiley & Sons, Inc.
Agents of change: Women in top management and corporate environmental performance
Authors: Burkhardt Kirsten , Nguyen Pascal , Poincelot Evelyne 
Published: January 2020

AbstractWe analyze the influence of gender diversity in top management on the environmental performance of French firms. Consistent with gender socialization theory, which posits that women are raised from childhood to be more nurturing and compassionate for others, we find that firms with more women in top management exhibit higher environmental performance. This result extends those already reported in the literature regarding the effect of gender diversity at board level. We also show that women in top management are associated with several key indicators such as development of eco‐friendly products and commitment to resource reduction. Furthermore, we find that the influence of women is weaker in firms with a lower environmental performance and in firms with high‐growth opportunities because these firms are likely to prioritize their own development. This suggests, in line with social role theory, that women also adapt into the role that organizations expect from them.
Impact of facies and diagenetic variability on permeability and fluid flow in an oolitic grainstone—Pleistocene Miami Oolite
Authors: Harris Paul (Mitch) , Purkis Sam 
Published: January 2020

AbstractThe Miami Oolite of South Florida is representative of a grainstone‐rich carbonate unit that has been surficially karsted, and therefore may be considered as an analogue for subsurface reservoirs/aquifers with ‘high’ permeability extremes. The deposit can potentially serve to improve a conceptual understanding of heterogeneity as imparted by shallow‐marine facies changes and early meteoric diagenetic modification. Reviewed here are recent studies of the Miami Oolite with the intent to emphasize those key aspects of the facies and early diagenesis that most impact permeability and fluid flow. The Miami Oolite displays the preserved morphology of a fossilized ooid sandbody, even though it has been subaerially exposed in a tropical climate since its deposition approximately 120 kyr bp during the last interglacial highstand. The depositional motif is one of a dip‐oriented, tidal bar belt of shoals and shallow channels fronted by a strike‐oriented barrier bar. The barrier bar comprises cross‐stratified grainstones and locally burrowed grain/packstones, while the tidal shoals and channels are more commonly burrowed pack/grainstones. Surficial karst features (dolines and stratiform caves) have been added during the ca 120 kyr of subaerial exposure, but of more significance is the associated solution‐enhancement of the widespread burrowed facies. Since the Miami Oolite is the uppermost portion of the Biscayne Aquifer, there is also an understanding of fluid flow through the deposit that sheds valuable insight on the larger scale, shallow subsurface plumbing. The pore system comprises matrix pores (interparticle and separate vugs) and touching‐vug macropores that are commonly associated with burrowed [Ophiomorpha] intervals. Ground‐penetrating radar, well and flow test data indicate that matrix porosity provides most of the groundwater storage, whereas the touching vug macropores account for the majority of flow. The dolines and shallow caves seem to be sufficiently spaced as to generally not be in direct connection, with the result that they are less important in terms of regional flow than the prevailing pore system.
The Catalan butterfly monitoring scheme has the capacity to detect effects of modifying agricultural practices
Authors: Lee Marina S. , Comas Jordi , Stefanescu Constantí , Albajes Ramon 
Published: January 2020

AbstractImpacts of agricultural management practices on the receiving environment are seldom suitably assessed because environmental monitoring is costly. In this regard, data generated by already existing environmental survey networks (ESNs) may have sufficient capacity to detect effects. Here, we study the capacity of the Catalan butterfly monitoring scheme (CBMS) to detect differences in butterfly abundance due to changes in agricultural practices. As a model, we compared butterfly abundance across two landscape types according to agricultural intensification. A 2 km diameter buffer area was centered on the CBMS transect, the control group were transects located in areas where intensive agriculture represented <20% of the area; a treated group was simulated by selecting transects located in areas where intensive agriculture occupied an area over 40%. The Welch t‐test (α = 0.05 and 80% power) was used to compare butterfly abundance per section across landscape types. The capacity of the t‐test to detect changes in mean butterfly abundance, of 12 butterfly indicators relevant to farmland, was calculated annually and for 5‐, 10‐, and 15‐yr periods. Detection capacity of the t‐test depended mainly on butterfly data sample size and variability; difference in butterfly abundance was less important. The t‐test would be capable of detecting acceptably small population changes across years and sites. For instance, considering a 15‐yr period, it would be possible to detect a change in abundance below 10% of the multispecies indicators (all butterfly species, open habitat species, mobile species, and grassland indicators) and two single species (Lasiommata megera and Lycaena phlaeas). When comparisons were carried out within each year, the t‐test would only be capable of detecting a change below 30% for all butterfly species, mobile species, and L. megera. However, detection capacity rapidly improved with the addition of further years, and with 5 yr of monitoring, all indicators but Thymelicus acteon had a detection capacity below 30%. We therefore conclude that, from a statistical point of view, the CBMS data “as is” are sensitive enough for monitoring effects of changes in agricultural practices. It could be used, for instance, for the general surveillance of genetically modified crops.
Effect of Clarification System on the Conservation of Virgin Olive Oil during Its Storage
Authors: Gila Abraham , Sánchez‐Ortíz Araceli , Beltrán Gabriel , Bejaoui Mohamed Aymen , Aguilera María Paz , Jiménez Antonio 
Published: January 2020

AbstractThe results obtained in this work explain how clarification systems can affect the conservation of virgin olive oils (VOOs) during the storage step. The evolution of the quality and sensory properties during the storage of VOOs clarified by different systems, vertical centrifugal separator (VCS) with minimal water addition and conical bottom settling tank (CBST), is studied at industrial scale for two different crop years. In general, VCS oils show a slight higher moisture and solid impurities content at the end of the storage step due to a higher emulsion grade (because of the emulsion generated) caused by the rotating movement of this clarification system. For the studied clarification systems, no remarkable differences are observed between the oils during their storage for quality indexes. However, these systems show differences regarding oil sensory properties. The VOOs clarified by VCS are characterized by a higher presence of phenol components, higher positive sensory attributes intensity, and higher lipoxygenase (LOX) aldehydes content during their storage. VOOs from CBST show lower phenol content, a higher “non‐LOX” volatiles content, and the presence of sensory defects during storage.Practical Applications: The results obtained in this work are very important in order to provide specific recommendations and scientific support based on objective data to improve VOO quality. As described in this study, the VCS with a minimal water addition can be a better option to produce VOO of improved quality. This clarification system is an efficient and quick operation that reduces the contact between oil and the remaining water and impurities during the storage step. The minimal water addition used in this clarification system allows obtaining VOOs with higher phenol content and positive sensory notes. This leads to prolong VOO shelf‐life and conservation during the storage stage, due to preservation of the quality indexes and minor components with antioxidant activity. Besides, this clarification system reduces the water consumption during oil clarification and generates a lower wastewater volume regarding conventional vertical centrifugation, and therefore can be considered more environmentally friendly.
A social psychological perspective on World War II collaboration in the 21st century: A Belgian case
Authors: Bouchat Pierre , Luminet Olivier , Rosoux Valérie , Aerts Koen , Cordonnier Aline , Résibois Maxime , Rimé Bernard 
Published: January 2020

AbstractThe present study addresses antecedents and consequences of attitudes towards collaboration in the context of World War II (WWII) in Belgium. A survey conducted on 922 Belgian French‐ and Dutch‐speaking participants shows that, on overall, Dutch‐speakers perceive collaboration as more moral and support amnesty of the former collaborators at a higher level than their Francophone counterparts. In addition, we show that these attitudes are predicted by the generational belonging, linguistic and national identification of the participants. Finally, we find that attitudes towards WWII collaboration are linked to specific political prospects for the future of the country only among Dutch‐speakers. These findings suggest that, 75 years after its end, the issue of collaboration during WWII still divides the Belgian society. Furthermore, they underline the added value of a multilevel approach in the understanding of social psychological phenomena.
The dixie cup problem and FKG inequality
Authors: Flatto Leopold 
Published: January 2020

AbstractLet be the number of purchases required to obtain copies of given items, each purchase choosing at random one of the items. is the expected value of the random variable . The problem of obtaining a formula for is known as the dixie cup problem. The problem is easy for , but difficult for m > 1. Newman and Shepp solve the problem for all m, n. From the formula, they obtain the asymptotics of for each fixed and tending to infinity. Later, Erdös and Rényi obtain the limit law for , for each fixed and tending to infinity. From the limit law, they also derive and improve on the result of Newman and Shepp. The derivation is however incomplete, as they do not address the problem of estimating the tails of the distribution of . In this paper, we provide the estimates. The estimates depend on notions concerning conditional probabilities. In particular, we use the FKG inequality, a correlation inequality which is a fundamental tool in statistical mechanics and probabilistic combinatorics.
Stress and subjective life expectancy: Cross‐sectional and longitudinal associations in early adolescence
Authors: McKay Michael T. , Andretta James R. , Padgett Noah R. , C. Cole Jon 
Published: January 2020

Using data from a longitudinal study, the present study employed a latent class mover‐stayer analytical strategy to examine both the cross‐sectional and longitudinal (+33 months) relationship between membership of stress classes, and subjective life expectancy. Participants were from 21 High schools in Scotland and Northern Ireland. Data were collected in the first year of High school (mean age = 12.5 years), and at +33 months (fourth year, or school year 11). Sample 1 consisted of 1171 adolescents (40.82% females, 2.56% unreported) in Northern Ireland. Sample 2 consisted of 1059 adolescents (52.79% females, 1.32% unreported) in Scotland. Adolescents with the lowest levels of stress projected the highest subjective life expectancy scores. Longitudinal analyses were jumbled and not in keeping with cross‐sectional results. More research may be needed on the trajectory of subjective life expectancy over time before it can be depended upon as a reliable outcome variable in adolescent development.