bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regioselective Synthesis of Fused Furans by Decarboxylative Annulation of α,β‐Alkenyl Carboxylic Acid with Cyclic Ketone: Synthesis of Di‐Heteroaryl Derivatives
Authors: Agasti Soumitra , Pal Tapas , Achar Tapas Kumar , Maiti Siddhartha , Pal Debasis , Mandal Smita , Daud Kishan , Lahiri Goutam Kumar , Maiti Debabrata 
Published: June 2019

Abstractα,β‐Alkenyl carboxylic acids undergo CuII‐mediated decarboxylative annulation reactions with aliphatic cyclic ketones to provide synthetically valuable di‐heterocycles. The annulation process tolerates a variety of aliphatic ketones and heterocyclic alkenyl carboxylic acids, producing substituted fused furan derivatives with complete regioselectivity. The current protocol offers a synthetically applicable pathway to construct a variety of oligo‐heterocycles through Cu‐mediated single‐electron transfer and decarboxylation. Notably, synthesis of relatively inaccessible di‐heterocycles has been achieved successfully using this protocol.
Best professional practices when approaching religiosity/spirituality in psychotherapy in Brazil
Authors: Cunha Vivian Fukumasu da , Scorsolini‐Comin Fabio 
Published: June 2019

AbstractThe religiosity/spirituality (R/S) dimension is recognised as an important component of the concept of health advocated by the World Health Organization; however, it does not appear in the undergraduate Psychology curricula in the Brazilian context, revealing a gap in the way this theme has been covered. In order to identify the professional reality of Brazilian psychotherapists in relation to this theme, this study aimed to identify what constitutes the best professional practices when approaching R/S in psychotherapy. We interviewed 24 psychotherapists of both sexes, with a mean age of 36.43, from two medium‐sized cities of two Brazilian states. According to the interviewees, the best practices considered when addressing R/S, that is, the most appropriate actions/attitudes, are as follows: (a) Respect; (b) Knowing how to separate what is from the psychotherapist and from the patient/client; (c) Recognising the theme as an integrative dimension of the human being; (d) Knowing how to listen; (e) Questioning the role of R/S in the life of the patients/clients; (f) Knowledge about the subject matter; and (g) Not imposing knowledge, practices or doctrine. These practices were revealed as the skills, competencies and knowledge needed to deal with the subject and highlight important references to think about the theme in psychotherapy, guiding the formation of new professionals and updating practising psychotherapists.
Negative Cooperativity in NAD(P)H Quinone Oxidoreductase 1 (NQO1)
Authors: Megarity Clare F. , Abdel‐Aal Bettley Hoda , Caraher M. Clare , Scott Katherine A. , Whitehead Roger C. , Jowitt Thomas A. , Gutierrez Aldo , Bryce Richard A. , Nolan Karen A. , Stratford Ian J. , Timson David J. 
Published: June 2019

AbstractNAD(P)H quinone oxidoreductase‐1 (NQO1) is a homodimeric protein that acts as a detoxifying enzyme or as a chaperone protein. Dicourmarol interacts with NQO1 at the NAD(P)H binding site and can both inhibit enzyme activity and modulate the interaction of NQO1 with other proteins. We show that the binding of dicoumarol and related compounds to NQO1 generates negative cooperativity between the monomers. This does not occur in the presence of the reducing cofactor, NAD(P)H, alone. Alteration of Gly150 (but not Gly149 or Gly174) abolished the dicoumarol‐induced negative cooperativity. Analysis of the dynamics of NQO1 with the Gaussian network model indicates a high degree of collective motion by monomers and domains within NQO1. Ligand binding is predicted to alter NQO1 dynamics both proximal to the ligand binding site and remotely, close to the second binding site. Thus, drug‐induced modulation of protein motion might contribute to the biological effects of putative inhibitors of NQO1.
Bond Length Alternation Observed Experimentally: The Case of 1H‐Indazole
Authors: Uriarte Iciar , Reviriego Felipe , Calabrese Camilla , Elguero José , Kisiel Zbigniew , Alkorta Ibon , Cocinero Emilio J. 
Published: June 2019

AbstractBond length alternation is a chemical phenomenon in benzene rings fused to other rings, which has been mainly predicted theoretically. Its physical origin is still not clear and has generated discussion. Here, by using a strategy that combines microwave spectroscopy, custom‐made synthesis and high‐level ab initio calculations, we demonstrate that this phenomenon is clearly observed in the prototype indazole molecule isolated in the gas phase. The 1H‐indazole conformer was detected by rotational spectroscopy, and its 17 isotopologues resulting from single and double heavy atom substitution (13C and 15N) were also unambiguously observed. Several experimental structures were determined and, in particular, the most useful semi‐experimental equilibrium structure (reSE), allowed determination of the heavy atom bond lengths to milli‐Ångstrom precision. The experimentally determined bond length alternation is estimated to correspond to 60:40 contributions from the two resonant forms of 1H‐indazole.
“Turn‐On” Activatable AIE Dots for Tumor Hypoxia Imaging
Authors: Xue Tianhao , Jia Xiangqian , Wang Jilei , Xiang Jingyuan , Wang Wei , Du Juanjuan , He Yaning 
Published: June 2019

AbstractA hypoxia‐responsive fluorescence probe of amphiphilic PEGylated azobenzene caged tetraphenylethene (TPE) for tumor cell imaging is reported; it possesses excellent solubility in aqueous medium due to the easy formation of micelles by self‐assembly. The fluorescence resonance energy transfer (FRET) process ensures that the fluorescence of the azobenene caged AIE fluorogen is quenched efficiently. When cultured with tumor cells, the azo‐bond is reduced under hypoxia conditions and the fluorescence of AIE fluorogen recovers dramatically. Besides using UV light, NIR light can also be used as the excited light resource to generate the fluorescence due to the two‐photon fluorescence imaging process.
A Solution‐Processable meso‐Phenyl‐BODIPY‐Based n‐Channel Semiconductor with Enhanced Fluorescence Emission
Authors: Ozcan Emrah , Ozdemir Mehmet , Ho Dongil , Zorlu Yunus , Ozdemir Resul , Kim Choongik , Usta Hakan , Cosut Bunyemin 
Published: June 2019

AbstractThe molecular design, synthesis, and characterization of an acceptor‐donor‐acceptor (A‐D‐A) semiconductor BDY‐Ph‐2T‐Ph‐BDY comprising a central phenyl‐bithiophene‐phenyl π‐donor and BODIPY π‐acceptor end‐units is reported. The semiconductor shows an optical band gap of 2.32 eV with a highly stabilized HOMO/LUMO (−5.74 eV/−3.42 eV). Single‐crystal X‐ray diffraction (XRD) reveals D–A dihedral angle of ca. 66° and strong intermolecular “C−H ⋅⋅⋅ π (3.31 Å)” interactions. Reduced π‐donor strength, increased D–A dihedral angle, and restricted intramolecular D–A rotations allows for both good fluorescence efficiency (ΦF=0.30) and n‐channel OFET transport (μe=0.005 cm2/V ⋅ s; Ion/Ioff=104–105). This indicates a much improved (6‐fold) fluorescence quantum yield compared to the meso‐thienyl BODIPY semiconductor BDY‐4T‐BDY. Photophysical studies reveal important transitions between locally excited (LE) and twisted intramolecular charge‐transfer (TICT) states in solution and the solid state, which could be controlled by solvent polarity and nano‐aggregation. This is the first report of such high emissive characteristics for a BODIPY‐based n‐channel semiconductor.
The effect of pain, stress, and cortisol during labor on breastfeeding success
Authors: Karakoyunlu Özge , Ejder Apay Serap , Gürol Ayşe 
Published: June 2019

AbstractThe aim of the study is to identify and compare the effect of pain, stress, and cortisol level during labor on breastfeeding success. The study was conducted with 51 pregnant women in the delivery room of Nenehatun Maternity Hospital between 15 August and 30 December 2016. The data were collected using the personal information form, visual analog scale (VAS), verbal category scale (VCS), perceived stress scale (PSS) and Breastfeeding Diagnostic and Assessment Scale (LATCH). It was determined that the total mean score of the mothers for the LATCH breastfeeding success scale was 6.56 ± 1.64, the perceived stress scale total mean score was 48.13 ± 4.09 in their active phase, and the perceived stress scale total mean score was 41.41 ± 5.78 in their postpartum period. A negative moderate significant correlation was observed between the LATCH breastfeeding success scale mean scores and the cortisol levels in the active phase and postpartum period. It was found that the LATCH had a significant correlation with the perceived stress and cortisol in the postpartum period. It was determined that the mothers had more stress in the active phase and this stress affected negatively the lactation and sucking behavior of the infant.
Herbivore and detritivore effects on rainforest plant production are altered by disturbance
Authors: Prather Chelse M. , Belovsky Gary E. 
Published: June 2019

AbstractConsumer effects on rainforest primary production are often considered negligible because herbivores and macrodetritivores usually consume a small fraction of annual plant and litter production, even though consumers are known to have effects on plant production and composition in nontropical systems. Disturbances, such as treefall gaps, however, often increase resources to understory food webs, thereby increasing herbivory and feeding rates of detritivores. This increase in consumption could lead to more prominent ecosystem‐level effects of consumers after disturbances, such as storms that cause light gaps. We determined how the effects of invertebrate herbivores (walking sticks) and detritivores (litter snails) on understory plant growth may be altered by disturbances in a Puerto Rican rainforest using an enclosure experiment. Consumers had significant effects on plant growth, but only in light gaps. Specifically, herbivores increased plant growth by 60%, and there was a trend for detritivores to reduce plant growth. Additionally, plant biomass tended to be 50% higher with both consumers in combination, suggesting that herbivores may mediate the effects of detritivores by altering the resources available to detritivore food webs. This study demonstrates that disturbance alters the effects of rainforest consumers, and, furthermore, that consumer activity has the potential to change rainforest successional processes.
Foodwebs based on unreliable foundations: spatiotemporal masting merged with consumer movement, storage, and diet
Authors: Clark James S. , Nuñez Chase L. , Tomasek Bradley 
Published: June 2019

AbstractMast‐fruiting trees represent a pulsed resource that both supports and destabilizes consumer populations. Whereas a reliable resource is abundant on average and with limited variation in time and space, masting is volatile and localized, and that variability ramifies throughout food‐webs. Theory is developed to evaluate how the space–time structure of masting interacts with consumers who exploit alternative hosts, forage widely in space, and store reserves in time. We derive the space–time–species covariance in resource supply and combine it with the space–time–diet breadth of consumers, or ambit. Direct connection to data is made possible with Mast Inference and Forecasting (MASTIF), a state‐space autoregressive model that fits seed‐trap and canopy observations and predicts resource availability within the canopy and on the forest floor with full uncertainty. A resource score can be assigned to each consumer–habitat combination that integrates the benefits of a high mean supply weighed against the variance cost. As the consumer ambit increases, the volatility of an unreliable resource shifts from a variance cost to a mean benefit. Consumers foraging in the canopy (arboreal arthropods and rodents, song birds) experience space‐time covariance between host trees. Consumers on the forest floor (seed and damping‐off fungi, arthropods, rodents, ground‐nesting birds, mammals) experience instead a redistribution of that covariance by dispersal. For consumers lacking mobility, demographic storage in the form of episodic birth cohorts following mast years is important for population persistence. Consumers additionally compensate volatility with diet breadth. Depending on the dominant masting strategies of host tree species in the diet, habitats differentially limit consumers depending on the misalignment between consumer ambit and spatiotemporal covariance of hosts. The impact of adding or subtracting a diet item can be gauged with the standard error (SE) rule or the benefit of an added diet item balanced against the variance cost, both of which depend on the existing diet, the abundance of the new host, and the consumer's foraging ambit. Results rank habitats by their capacities to support wildlife and other consumers from a resource perspective. Results are connected directly to data, with full uncertainty, by MASTIF.
Static and dynamic conceptual model of a complexly fractured crystalline rock aquifer
Authors: Earnest Evan , Boutt David , Murdoch Larry , Clement William P. 
Published: June 2019

AbstractA conceptual model of anisotropic and dynamic permeability is developed from hydrogeologic and hydromechanical characterization of a foliated, complexly fractured, crystalline rock aquifer at Gates Pond, Berlin, Massachusetts. Methods of investigation include aquifer‐pumping tests, long‐term hydrologic monitoring, fracture characterization, downhole heat‐pulse flow meter measurements, in situ extensometer testing, and earth tide analysis. A static conceptual model is developed from observations of depth‐dependent and anisotropic permeability that effectively compartmentalizes the aquifer as a function of foliation intensity. Superimposed on the static model is dynamic permeability as a function of hydraulic head in which transient bulk aquifer transmissivity is proportional to changes in hydraulic head due to hydromechanical coupling. The dynamic permeability concept is built on observations that fracture aperture changes as a function of hydraulic head, as measured during in situ extensometer testing of individual fractures, and observed changes in bulk aquifer transmissivity as determined from earth tides during seasonal changes in hydraulic head, with higher transmissivity during periods of high hydraulic head, and lower transmissivity during periods of relatively lower hydraulic head. A final conceptual model is presented that captures both the static and dynamic properties of the aquifer. The workflow presented here demonstrates development of a conceptual framework for building numerical models of complexly fractured, foliated, crystalline rock aquifers that includes both a static model to describe the spatial distribution of permeability as a function of fracture type and foliation intensity and a dynamic model that describes how hydromechanical coupling impacts permeability magnitude as a function of hydraulic head fluctuation. This model captures important geologic controls on permeability magnitude, anisotropy, and transience and therefor offers potentially more reliable history matching and forecasts of different water management strategies, such as resource evaluation, well placement, permeability prediction, and evaluating remediation strategies.
A brief review of common mathematical calculations in therapeutic apheresis
Authors: Staley Elizabeth M. , Hoang San T. , Liu Hefei , Pham Huy P. 
Published: June 2019

ABSTRACTApheresis is defined as the removal of blood from the body, its separation into constituent components, and removal or manipulation of one of these components prior to intravascular return with or without the addition of replacement fluid. Patients undergoing therapeutic apheresis often have multiple comorbidities, potentially affecting their hemodynamic status. Thus, a thorough understanding of apheresis principles and calculations is required for the performance of safe, efficacious, and successful procedures. The performance of simple transfusions or red blood cell exchange procedures is additionally complicated by the difficulties inherent in the procurement of compatible blood products, and the emphasis on minimizing exposure to unnecessary blood products. It is essential that apheresis physicians be able to accurately evaluate the risks/benefits inherent in the procedural options and efficiently stratify patients to the optimal therapeutic modality. The formulas requisite for performing therapeutic apheresis calculations are herein reviewed.
Comparing the inactivating efficacy of enteric bacteria in seawater treated with different configurations of continuous flow‐through ultraviolet devices: single‐pass and recirculation
Authors: Romero‐Martínez Leonardo , Duque‐Sarango Paola , Acevedo‐Merino Asunción , Nebot Enrique 
Published: June 2019

AbstractBACKGROUNDIndustrial and commercial activities may require seawater disinfection for which ultraviolet (UV) irradiation is a widely used technology. Ultraviolet devices are commonly used in laboratory to evaluate the disinfection efficacy, looking for the highest control of the experimental conditions such as collimated beam reactor or continuous flow reactors with recirculation. However, commercial applications usually require the application of the UV treatment by means of one single pass through the reactor. The objective in this article is to evaluate and compare the efficacy achieved by two different continuous flow systems, i.e. single‐pass and recirculation devices, on bacteria in buffered distilled and seawater matrices.RESULTSSurvival data obtained with a single‐pass device followed by disinfection kinetics according to the log‐linear + shoulder model, requiring a dose of 5.87 mJ cm−2 to inactivate one log unit of the initial concentration of the pure strain Escherichia coli ATCC 11229. The survival achieved with a recirculation reactor followed by a biphasic model, required 12.86 mJ cm−2 to inactivate one log unit of the initial concentration and showed loss of efficacy at higher doses. There was substantial loss of the inactivating efficacy in the treatment of bacteria in seawater using the recirculation device. Natural populations of Escherichia coli and Enterococcus sp. were more sensitive to the UV treatment.CONCLUSIONAccording to the obtained data and their comparison with previous experiments in the literature, the single‐pass prototype is a better approach for determining the inactivating efficacy of UV systems, in comparison with collimated beam and recirculation devices. © 2019 Society of Chemical Industry
Recovery of organic matter and microbial biomass after abandonment of degraded agricultural soils: the influence of climate
Authors: Ovsepyan Lilit , Kurganova Irina , de Gerenyu Valentin Lopes , Kuzyakov Yakov 
Published: June 2019

AbstractAfter abandonment of agricultural lands (ongoing on 220 million hectares worldwide), degraded arable soils undergo self‐restoration and development towards natural ecosystems. We studied the linkage between microbial properties and density fractions of soil organic matter (SOM) during post‐agricultural restoration of former arable Phaeozems and Chernozems. The chronosequence study was conducted in two contrasting bioclimatic zones of European Russia: deciduous forest (Luvic Phaeozem) and dry steppe (Calcic Chernozem). Each chronosequence included an arable soil, 3–4 soils with increasing periods after abandonment (from 7 to 35 years), and reference sites with native soils. The basal respiration (BR) and microbial biomass (Cmic) were closely correlated with the soil organic carbon (Corg) content as well as SOM density fractions: free particulate organic matter (fPOM), occluded particulate organic matter (oPOM), and mineral–SOM. The greatest increase in most properties was common in the top 0–5 cm and was maximal for fPOM and oPOM fractions (by 1.5–2.5‐times), Cmic (1.9‐times), and BR (1.5–2.5‐times). For the first time, the duration of full recovery of soil properties depending on climate were estimated. Generally, ~40–120 and 20–30 years in the forest and steppe, respectively, are required to restore Corg, total nitrogen (TN), and Cmic contents in the 0‐ to 5‐cm layer after the abandonment of agricultural lands. The maximal restoration rates of all properties are common in the first 15–20 years after abandonment.
Fluorination/Torrefaction Combination to Further Improve the Hydrophobicity of Wood
Authors: Pouzet Martial , Dubois Marc , Charlet Karine , Petit Elodie , Béakou Alexis , Dupont Capucine 
Published: June 2019

AbstractFollowing recent works on gas/solid fluorination applied to massive wood that sustainably increased its hydrophobicity thanks to the substitution of OH groups by covalent fluorine atoms, the present paper demonstrates that torrefaction may replace the step of the removal of HF. Because of the strength of covalent CF bonds, torrefaction does not result in defluorination. The fluorination/torrefaction combination acts at two scales: the surface develops hydrophobicity thanks to the presence of fluorine atoms whereas torrefaction enhances the water molecules barrier. Such improvements are achieved whatever the initial hydrophilicity of the wood species contrary to the fluorination or torrefaction alone.
A comprehensive assessment of Next‐Generation Sequencing variants validation using a secondary technology
Authors: Zheng Jianchao , Zhang Hongyun , Banerjee Santasree , Li Yun , Zhou Junyu , Yang Qian , Tan Xuemei , Han Peng , Fu Qinmei , Cui Xiaoli , Yuan Yuying , Zhang Meiyan , Shen Ruiqin , Song Haifeng , Zhang Xiuqing , Zhao Lijian , Peng Zhiyu , Wang Wei , Yin Ye 
Published: June 2019

AbstractBackgroundRecently, increasing innovations improved the accuracy of next generation sequencing (NGS) data. However, the validation of all NGS variants increased the cost and turn‐around time of clinical diagnosis, and therefore limited the further development of clinical applications. We aimed to comprehensively assess the necessity of validating NGS variants.MethodsValidation data of 7,601 NGS variants involving 1,045 genes were collected from 5,190 clinical samples and sequenced by one of five targeted capture panels and two NGS chemistries, respectively. These genes and variants were widely distributed in 24 human chromosomes and mitochondrial genome. Variants validation was firstly processed by Sanger sequencing. If validation results were unavailable or inconsistent with NGS calls, another validation test would be performed by mass spectrometry genotyping.ResultsA total of 6,939 high quality NGS variants with ≥35 × depth coverage and ≥35% heterozygous ratio were 100% confirmed by a secondary methodology. 5,775 heterozygous variants were separated from 760 homozygous variants and 404 hemizygous variants by 80% heterozygous ratio. A total of 1.5% (98/6,939) of NGS variants were validated by mass spectrometry genotyping.ConclusionConsidering of the above comprehensive assessment, a new variant with high quality from a well‐validated capture‐based NGS workflow can be reported directly without validation.