bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical Investigation of the Kinetics of Chloride Substitution upon Reduction of [Ru(porphyrin)(NO)Cl] Complexes in Tetrahydrofuran
Authors: Zink Jeremy R. , Abucayon Erwin G. , Ramuglia Anthony R. , Fadamin Arghavan , Eilers James E. , Richter‐Addo George B. , Shaw Michael J. 
Published: February 2018

AbstractThe front cover artwork is provided by the Shaw [Southern Illinois University Edwardsville (SIUE), USA] and Richter‐Addo groups [University of Oklahoma (OU), USA]. The image shows cartoons of species formed during cyclic voltammetry analysis of [Ru(porphyrin)(NO)Cl] in tetrahydrofuran. The initial redox‐induced reversible solvent‐for‐chloride metathesis is shown in the reaction at the top. Read the full text of the Article at 10.1002/celc.201701001.
Adaptive control design for a nonlinear parabolic PDE: Application to water coning
Authors: Safari Mehdi , Ameri Mohammad Javad , Naderifar Abbas 
Published: February 2018

AbstractWater coning is usually responsible for the production of undesirable water from oil wells. This phenomenon may cause a decrease in oil production rate, increase in water cut production, and costs, which subsequently leads to early shutdown of the well. Although the boundary control of the production rate was suggested for managing the problem, due to the uncertainty associated with the physical nature of petroleum reservoirs, it failed to be implemented in practice. To overcome this issue, the paper employs the adaptive control approach for the distributed parameter system, which is modelled using a nonlinear partial differential equation (PDE). For this purpose, an adaptive control law and an update law for estimating the uncertain parameter are developed using the direct Lyapunov method. Next, the global stability of the closed‐loop system with the abovementioned laws is proven. Finally, the effectiveness and performance of the proposed idea is demonstrated by numerical simulations. The results show that the thickness of an oil column tends to zero as time tends to infinity for the whole spatial domain. In other words, as time elapses, the whole oil column will be depleted before the cone breakthrough. The numerical simulation demonstrates that though water cone breakthrough is inevitable in the conventional way of production, the adaptive control approach successfully controls the cone growth up, even with no knowledge of reservoir permeability. The results of this study can be applied to any type of reservoir subjected to water coning.
Architectonic features and relative locations of primary sensory and related areas of neocortex in mouse lemurs
Authors: Saraf Mansi P. , Balaram Pooja , Pifferi Fabien , Gămănuţ Răzvan , Kennedy Henry , Kaas Jon H. 
Published: February 2018

AbstractMouse lemurs are the smallest of the living primates, and are members of the understudied radiation of strepsirrhine lemurs of Madagascar. They are thought to closely resemble the ancestral primates that gave rise to present day primates. Here we have used multiple histological and immunochemical methods to identify and characterize sensory areas of neocortex in four brains of adult lemurs obtained from a licensed breeding colony. We describe the laminar features for the primary visual area (V1), the secondary visual area (V2), the middle temporal visual area (MT) and area prostriata, somatosensory areas S1(3b), 3a, and area 1, the primary motor cortex (M1), and the primary auditory cortex (A1). V1 has “blobs” with “nonblob” surrounds, providing further evidence that this type of modular organization might have evolved early in the primate lineage to be retained in all extant primates. The laminar organization of V1 further supports the view that sublayers of layer 3 of primates have been commonly misidentified as sublayers of layer 4. S1 (area 3b) is proportionately wider than the elongated area observed in anthropoid primates, and has disruptions that may distinguish representations of the hand, face, teeth, and tongue. Primary auditory cortex is located in the upper temporal cortex and may include a rostral area, R, in addition to A1. The resulting architectonic maps of cortical areas in mouse lemurs can usefully guide future studies of cortical connectivity and function.
Selective Hydrogenation of Phenol
Authors: Kong Xiangqian , Gong Yutong , Mao Shanjun , Wang Yong 
Published: February 2018

AbstractThe selective hydrogenation of phenol to cyclohexanone has attracted a great deal of attention both in industry and academia. In this review, the significance, strategies and mechanisms for the production of cyclohexanone are briefly described. Then, the evolution of phenol hydrogenation in gas/liquid phase is summarized according to catalyst type. In situ hydrogenation techniques including catalytic transfer hydrogenation (CTH) and electrocatalytic hydrogenation (ECH) of phenol are also discussed. Although the technology for catalyst design has developed rapidly within the past decades, direct evidence to understand the reaction mechanisms and kinetics is still scarce. Therefore, it is still challengingto explore the function mechanisms and design advanced catalysts with high activity and high selectivity (>95%) for direct hydrogenation of phenol to cyclohexanone. This review may provide guidance for these attempts.
Biological control effects of non‐reproductive host mortality caused by insect parasitoids
Authors: Kaser Joe M. , Nielsen Anne L. , Abram Paul K. 
Published: February 2018

AbstractAs the rate of spread of invasive species increases, consumer–resource communities are often populated by a combination of exotic and native species at all trophic levels. In parasitoid–host communities, these novel associations may lead to disconnects between parasitoid preference and performance, and parasitoid oviposition may result in death of the parasitoid offspring, death of the host, or death of both. Despite their relevance for biological control risk and efficacy assessments, the direct and indirect population‐level consequences of parasitoids attacking and killing their hosts without successfully reproducing (non‐reproductive mortality) are poorly understood. Non‐reproductive mortality induced by egg parasitoids (parasitoid‐induced host egg abortion) may be particularly important for understanding the population dynamics of the invasive agricultural pest Halyomorpha halys (Hemiptera: Pentatomidae) and endemic stink bugs in North America, which are attacked by a suite of both native and introduced egg parasitoids. It is unclear, however, how various factors controlling parasitoid foraging and developmental success manifest at the population level. We constructed two related versions of a two‐host–one‐parasitoid model to evaluate the population‐level consequences of non‐reproductive host mortality. Egg abortion can result in strong negative or positive enemy‐mediated indirect effects, taking the form of apparent competition, apparent parasitism, apparent amensalism, or apparent commensalism. For parasitoids limited in their reproductive output by the number of eggs they can produce, higher non‐reproductive host mortality can reduce the strength of the positive indirect effect in cases of apparent parasitism, and it can reduce the negative indirect effect on the more suitable host in cases of apparent competition. For time‐limited parasitoids, unsuitable hosts with high levels of non‐reproductive parasitoid‐induced mortality can be strongly suppressed in the presence of a suitable host, while the suitable host is only negligibly impacted (i.e., apparent amensalism). We evaluate these model‐derived hypotheses within the context of H. halys and its native and nonnative parasitoids in North America, and discuss their application to risk assessment in biological control programs.
Iron deficiency impairs contractility of human cardiomyocytes through decreased mitochondrial function
Authors: Hoes Martijn F. , Grote Beverborg Niels , Kijlstra J. David , Kuipers Jeroen , Swinkels Dorine W. , Giepmans Ben N.G. , Rodenburg Richard J. , van Veldhuisen Dirk J. , de Boer Rudolf A. , van der Meer Peter 
Published: February 2018

AimsIron deficiency is common in patients with heart failure and associated with a poor cardiac function and higher mortality. How iron deficiency impairs cardiac function on a cellular level in the human setting is unknown. This study aims to determine the direct effects of iron deficiency and iron repletion on human cardiomyocytes.Methods and resultsHuman embryonic stem cell‐derived cardiomyocytes were depleted of iron by incubation with the iron chelator deferoxamine (DFO). Mitochondrial respiration was determined by Seahorse Mito Stress test, and contractility was directly quantified using video analyses according to the BASiC method. The activity of the mitochondrial respiratory chain complexes was examined using spectrophotometric enzyme assays. Four days of iron depletion resulted in an 84% decrease in ferritin (P < 0.0001) and significantly increased gene expression of transferrin receptor 1 and divalent metal transporter 1 (both P < 0.001). Mitochondrial function was reduced in iron‐deficient cardiomyocytes, in particular ATP‐linked respiration and respiratory reserve were impaired (both P < 0.0001). Iron depletion affected mitochondrial function through reduced activity of the iron–sulfur cluster containing complexes I, II and III, but not complexes IV and V. Iron deficiency reduced cellular ATP levels by 74% (P < 0.0001) and reduced contractile force by 43% (P < 0.05). The maximum velocities during both systole and diastole were reduced by 64% and 85%, respectively (both P < 0.001). Supplementation of transferrin‐bound iron recovered functional and morphological abnormalities within 3 days.ConclusionIron deficiency directly affects human cardiomyocyte function, impairing mitochondrial respiration, and reducing contractility and relaxation. Restoration of intracellular iron levels can reverse these effects.
DEVELOPMENT OF THE PARENT‐CHILD PLAY SCALE FOR USE IN CHILDREN WITH FEEDING DISORDERS
Authors: Chatoor Irene , Hommel Susanne , Sechi Cristina , Lucarelli Loredana 
Published: February 2018

ABSTRACTThe Parent‐Child Play Scale was developed as a scale that complements the Parent‐Child Feeding Scale, created by I. Chatoor et al. (1997), to evaluate mother–infant/toddler interactions in two different caregiving contexts of a young child's everyday life, specifically play and feeding. This Play Scale can be used with infants and toddlers ranging in age from 1 month to 3 years and provides reliable global ratings of mother–child interactions during 10 min of videotaped free‐play in a laboratory setting. The scale consists of 32 mother and infant/toddler interactive behaviors which are rated by trained observers from videotaped observations. Four subscales are derived: Dyadic Reciprocity, Maternal Unresponsiveness to Infant's/Toddler's Cues, Dyadic Conflict, and Maternal Intrusiveness. Construct validity and interrater and test‐retest reliability of the Play Scale have been demonstrated. This Play Scale discriminates between children with and without feeding disorders as well as between children with different subtypes of feeding disorders as defined by the Diagnostic Classification of Mental Health and Developmental Disorders of Infancy and Early Childhood, Revised (DC:0–3R) (Feeding Disorder of State Regulation, Feeding Disorder of Caregiver‐Infant Reciprocity, and Infantile Anorexia). It can be used for research or clinical practice in the diagnosis and treatment of early feeding problems, to assess the pervasiveness of mother–infant/toddler difficulties and to monitor changes following therapy.
Controlled Release Characteristics of Aqueous PEO‐PPO‐PEO Micelles With Added Malachite Green, Erythrosin, and Cisplatin Determined by UV–Visible Spectroscopy
Authors: Thompson Andre L. , Ball Ashley N. , Love Brian J. 
Published: February 2018

AbstractDynamic diffusion experiments were performed on aqueous polymeric micelles mixed with malachite green (0.05% mass v−1), erythrosin (0.1% mass v−1), and cisplatin (0.1% mass v−1) to gauge release from sequestered structures using ultraviolet–visible spectroscopy. The additives were formulated with 20% mass v−1 aqueous solutions of polyethylene oxide‐polypropylene oxide‐polyethylene oxide, PEO‐PPO‐PEO (F127). Each additive was tested neat at room temperature, neat at 40 °C, and formulated with F127 at room temperature, and 40 °C. After constructing calibration curves, the dynamic release for each ternary additive and corresponding diffusion coefficients were calculated. Results show that F127 retards permeation at room temperature. In general, the neat additives at 40 °C showed the highest permeability for both malachite green and erythrosin. Malachite green released almost 90% of the dye by 60 min of permeation. When formulated with F127 at 40 °C, sizeable release was still noted, but with an induction period of 10–30 min to register release. The behavior with cisplatin was more complicated as the first 5 h of permeation resulted in a burst delivery with cisplatin (6% total release with cisplatin‐F127‐RT compared to 4% total release cisplatin‐RT) but with overall lower release. The higher fluence at elevated temperature is attributed to reducing the blocking effect of the amphiphiles on the walls of the dialysis tubing as they are directed to form colloidal gels. There is also likely a correlation between higher temperature and higher overall permeability if the membrane pores also expand with temperature.
Microbial diversity in biodeteriorated Greek historical documents dating back to the 19th and 20th century: A case study
Authors: Karakasidou Kiriaki , Nikolouli Katerina , Amoutzias Grigoris D. , Pournou Anastasia , Manassis Christos , Tsiamis George , Mossialos Dimitris 
Published: February 2018

AbstractPaper documents in archives, libraries, and museums often undergo biodeterioration by microorganisms. Fungi and less often bacteria have been described to advance paper staining, so called “foxing” and degradation of paper substrates. In this study, for the first time, the fungal and bacterial diversity in biodeteriorated paper documents of Hellenic General State Archives dating back to the 19th and 20th century has been assessed by culture‐dependent and independent methods. The internally transcribed spacer (ITS) region and 16S rRNA gene were amplified by PCR from fungal and bacterial isolates and amplicons were sequenced. Sequence analysis and phylogeny revealed fungal phylotypes like Penicillium sp., Cladosporium sp., Penicillium citrinum, Alternaria infectoria, Alternaria alternata, Epicoccum nigrum, and Penicillium chrysogenum which are often implicated in paper deterioration. Bacterial phylotypes closely related to known biodeteriogenic bacteria such as Bacillus spp., Micrococcus spp., Kocuria sp. in accordance with previous studies were characterized. Among the fungal phylotypes described in this study are included well‐known allergens such as Penicillium spp., Alternaria spp., and Cladosporium spp. that impose a serious health threat on staff members and scholars. Furthermore, fungal isolates such as Chalastospora gossypii and Trametes ochracea have been identified and implicated in biodeterioration of historical paper manuscripts in this study for the first time. Certain new or less known fungi and bacteria implicated in paper degradation were retrieved, indicating that particular ambient conditions, substrate chemistry, or even location might influence the composition of colonizing microbiota.
Theoretical Studies on the Structure, Optoelectronic and Photosensitizer Applications of NKX Class of Coumarin Dye Molecules
Authors: Manzoor Taniya , Pandith Altaf Hussain 
Published: February 2018

AbstractCoumarin based NKX class of molecules have been recently investigated for their promising sensitizing applications in dye Sensitized Solar Cells (DSSCs). However, the various factors limiting the sensitizing properties of these molecules such as charge transport efficiency and electron back recombination still remain to be understood properly. Herein, we report a detailed theoretical study on the structural, opto‐electronic and photo‐sensitizer applications of 2‐cyano‐3‐[5‐(1, 1, 6,6‐tetramethyl‐10‐oxo‐2,3,5,6‐tetrahydro‐1H,4H,10H‐11‐oxa‐3a‐aza‐benzo[de]anthracen‐9‐yl)‐thiophen‐2‐yl]‐acrylicacid (NKX 2587) based dye molecules. Structural variation of the dye molecule through derivatization has been attempted, with the main emphasis on the minimization of the back electron recombination rates through reduced dye – I2 interaction. The optical and photovoltaic properties of these dyes were studied in terms of the key parameters like, HOMO‐LUMO energy gap, maximum absorption wavelength, λmax, light harvesting efficiency, charge injection efficiency, open voltage, reorganization energy etc. using density functional theory methods. The results reflect that the dyes with more electron withdrawing substituents exhibit lower dye – I2 interaction, thus minimizing the back recombination. Moreover, the dyes with chloro (C3), bromo (C4), iodo (C5) and cyano (C7) substituents exhibit almost double electronic injection efficiency in comparison to the parent sensitizer molecule and are hence, expected to enhance the efficiency of the DSSCs based on such systems.
Discovery of Trypanocidal Bioactive Leads by Docking Study, Molecular Dynamic Simulation and In Vivo Screening
Authors: Ibezim Akachukwu , Obi Chukwunonso B. , Oforkansi Nneoma M. , Mbah Chika J. , Nwodo Ngozi J. 
Published: February 2018

AbstractNine selected potential antitrypanosomal hits from plants obtained by docking calculation according to the docking protocols implemented in Molecular Operating Environment were further screened by evaluating their binding affinities toward an ‘all important’ antitrypanosomal drug target – trypanothione reductase (TryR), which is absent in humans, using a more stringent scoring function obtainable in AutoDock vina. All the compounds showed binding affinity for TryR at the range of −4.90±1.78 to −8.70±0.22 Kcal/mol. Also, the compounds demonstrated affinity toward an analogous enzyme to TryR, glutathione reductase (GR) that is found in vertebrates which suggests that they could pose a selectivity challenge. However, on comparison, β‐sitosterol; the candidate that scored topmost against three out of six earlier studied antitrypanosomal drug targets (uridylyl transferase ‐ UTF, farnesyl diphosphate synthase ‐ FDS and adenosine kinase ‐ ADK), showed a significant (P<0.05) binding affinity for TryR (‐8.70±0.22 Kcal/mol) over GR (‐7.50±0.36 Kcal/mol). The complexes formed between β‐sitosterol and the proteins: UTF, FDS and ADK, remained stable over 100 ps molecular dynamic simulation. Moreover, 200 mg/kg b.w. of the candidate significantly (P<0.05) killed the pathogen in T. b. brucei infected mice from third day post treatment. This study presents β‐sitosterol as an interesting antitrypanosomal candidate.
Acetylenic Indole‐Encapsulated Schiff Bases: Synthesis, In Silico Studies as Potent Antimicrobial Agents, Cytotoxic Evaluation and Synergistic Effects
Authors: Singh Gurjaspreet , Kalra Pooja , Arora Aanchal , Singh Akshpreet , Sharma Geetika , Sanchita  , Maurya Indresh Kumar , Dutta Sanjay , Munshi Parthapratim , Verma Vikas 
Published: February 2018

AbstractA family of pharmacophore acetylenic indole‐3‐carboxaldehyde (3) and acetylenic indole schiff bases (5 a‐5 i) bearing indole framework were synthesized to afford structurally diverse moieties. Acetylenic indole‐3‐carboxaldehyde was coupled with various amines to furnish the novel scaffolds 5 a‐5 i. These acetylenic indole Schiff bases (AISB) were synthesized in shorter times under microwave irradiation in comparison to classical reaction conditions. AISB were experimentally characterized by using IR, 1H NMR, 13C NMR, X ray crystallographic and mass spectrometric methods. The synthesized compounds showed promising anti‐bacterial and anti‐fungal properties when tested in vitro against six bacterial and seven fungal strains. Among these, hybrids 5 a, 5 c, 5 e and 5 g were found to be even more potent than the standard drugs and were more influential against the bacterial than the fungal strains. These more potent compounds were then evaluated for their cytotoxicity by MTT assay on Hek293 and HeLa cells. The synergistic effect of bis‐acetylenic compound 5 g with kanamycin and amphotericin B has also been scrutinized. Further, the structural and electronic properties of the molecules were investigated theoretically by performing density functional theory (DFT).
pH‐Controlled Nanoparticles Formation and Tracking of Lysosomal Zinc Ions in Cancer Cells by Fluorescent Carbazole–Bipyridine Conjugates
Authors: Sudheesh Karivachery V. , Joseph Manu M. , Philips Divya S. , Samanta Animesh , Kumar Maiti Kaustabh , Ajayaghosh Ayappanpillai 
Published: February 2018

AbstractFluorescent probes for simultaneous detection of multiple organelle specific analytes in cancer cells are essential for bioimaging applications. During abnormalities in cells, among other important parameters (metal ions, reactive oxygen species (ROS), enzymes, etc.) pH and Zn2+ are also altered in cells. Herein, we report the formation of nanoparticles of the fluorescent molecules based on carbazole‐bipyridine conjugates (CBL1‐3) and their use as nanoprobes to simultaneously detect Zn2+ and pH variations in lysosome. Upon increasing the pH from 4–6, these probes form nanoparticles with increased size and enhanced fluorescence at 510 nm. Among CBL1‐3, nanoparticles of CBL2 upon Zn2+ binding, exhibit pH responsive intensity change only at lysosomal pH window at 610 nm and become silent above pH 7. Fluorescent imaging experiments on cancer cells revealed that the CBL2 nanoprobe is capable of localizing at lysosomes and facilitates the detection of endogenous Zn2+ and pH variations. Furthermore, the lysosomal Zn2+ variation with external stimuli induced programmed cell death was visualized using the nanoprobe.
‘À La Carte’ Cyclic Hexapeptides: Fine Tuning Conformational Diversity while Preserving the Peptide Scaffold.
Authors: Ciudad Sonia , Bayó‐Puxán Núria , Varese Monica , Seco Jesús , Teixidó Meritxell , García Jesús , Giralt Ernest 
Published: February 2018

AbstractCyclic peptides have recently emerged as promising modulators of challenging protein‐protein interactions. Here we report on the design, synthesis and conformational behavior of a small library composed of C2 symmetric cyclic hexapeptides of type c(Xaa‐D‐Pro‐Yaa)2, where Xaa and Yaa are chosen from alanine, isoleucine, serine, glutamic acid, arginine and tryptophan due to the favorable properties of the side chains of these residues to recognize complex protein surfaces. We used a combination of nuclear magnetic resonance and molecular dynamic simulations to perform an extensive conformational analysis of a representative set of cyclic hexapeptides. Our results indicated that both the chemical nature and the chirality of the variable Xaa and Yaa positions play an important role in the cis/trans configuration of the Xaa‐D‐Pro bonds and in the conformational preferences of this family of peptides. This structural tuning can be exploited in design strategies seeking to optimize the binding efficiency and selectivity of cyclic hexapeptides towards protein surfaces.