bluuebunny/crossref_metadata_2025 huggingface dataset:
Psychosis and sexual abuse: An interpretative phenomenological analysis
Authors: Rhodes J.E. , O'Neill N.D. , Nel P.W.
Published: March 2018

Objectives

This study aimed to investigate the first‐person perspective of psychosis sufferers who survived childhood sexual abuse.

Methods

Interpretative phenomenological analysis was employed to explore the experiences of 7 women with a history of sexual abuse and psychosis.

Results

Analysis generated six themes: (a) degradation of self, interlinking shame, guilt, and sometimes disgust; (b) body‐self entrapment, experiencing bodily constraint and distortion; (c) a sense of being different to others, involving interpersonal problems; (d) unending struggle and depression, a pervasive sense of defeat; (e) psychotic condemnations and abuse, describing psychotic phenomena related to harm and sexual abuse; and (f) perception of links to the past, the links made from past abuse to current functioning.

Conclusion

Participants suffered extreme psychological, physical, and interpersonal difficulties past and present. Psychotic experiences reported exhibited themes of condemnation by external entities and reflected the topic of sexual abuse. Participants did not generally link psychosis to their past abusive experiences.
Reduced Variability to Aspirin Antiplatelet Effect by the Coadministration of Statins in High‐Risk Patients for Cardiovascular Disease
Authors: Tacconelli Stefania , Dovizio Melania , Di Francesco Luigia , Meneguzzi Alessandra , D'Agostino Ilaria , Evangelista Virgilio , Manarini Stefano , Capone Marta L. , Grossi Linda , Porreca Ettore , Di Febbo Concetta , Bruno Annalisa , Ballerini Patrizia , Levantesi Giacomo , Fava Cristiano , Minuz Pietro , Patrignani Paola
Published: March 2018

We studied the influence of cardiovascular (CV) risk factors, previous CV events, and cotreatments with preventive medicines, on residual platelet thromboxane (TX)B2 production in 182 patients chronically treated with enteric coated (EC)‐aspirin (100 mg/day). The response to aspirin was also verified by assessing arachidonic acid‐induced platelet aggregation and urinary 11‐dehydro‐TXB2 levels. Residual serum TXB2 levels exceeded the upper limit value for an adequate aspirin response in 14% of individuals. This phenomenon was detected at 12 hours after dosing with aspirin. The coadministration of statins (mostly atorvastatin) was an independent predictor of residual serum TXB2 levels, and the percentage of patients with enhanced values was significantly lower in statin users vs. nonusers. We provide evidence in vitro that atorvastatin reduced residual TXB2 generation by increasing the extent of acetylation of platelet COX‐1 by aspirin. In conclusion, the coadministration of statins may counter the mechanisms associated with reduced bioavailability of aspirin detected in some individuals with CV disease.
Physiologically Based Pharmacokinetic Modeling to Identify Physiological and Molecular Characteristics Driving Variability in Drug Exposure
Authors: Rowland Andrew , van Dyk Madelé , Hopkins Ashley M. , Mounzer Reham , Polasek Thomas M. , Rostami‐Hodjegan Amin , Sorich Michael J.
Published: March 2018

Prospectively defining the physiological and molecular characteristics most likely driving between‐subject variability (BSV) in drug exposure provides the opportunity to inform the assessment of biomarkers to account for this variability. A physiologically based pharmacokinetic (PBPK) model was constructed and verified for dabrafenib. This model was then used to evaluate the physiological and molecular characteristics driving BSV in dabrafenib exposure. The capacity to discriminate a steady‐state dabrafenib trough concentration >48 ng/mL was also evaluated. The mean simulated/observed ratios for the parameters describing dabrafenib exposure in single‐dose, multiple‐dose, and drug–drug interaction studies were between 0.78 and 1.23. Multivariable analysis indicated that consideration of baseline weight, body mass index, and CYP2C8, CYP3A4, and P‐gp abundance strongly predicts steady‐state dabrafenib trough concentration above 48 ng/mL (ROC AUC = 0.94; accuracy = 86%). This is the first study to use a verified PBPK model to identify baseline physiological and molecular characteristics driving BSV in drug exposure.
Brain Monitoring Devices in Neuroscience Clinical Research: The Potential of Remote Monitoring Using Sensors, Wearables, and Mobile Devices
Authors: Byrom Bill , McCarthy Marie , Schueler Peter , Muehlhausen Willie
Published: March 2018

The increasing miniaturization and affordability of sensors and circuitry has led to the current level of innovation in the area of wearable and microsensor solutions for health monitoring. This facilitates the development of solutions that can be used to measure complex health outcomes in nonspecialist and remote settings. In this article, we review a number of innovations related to brain monitoring including portable and wearable solutions to directly measure brain electrical activity, and solutions measuring aspects related to brain function such as sleep patterns, gait, cognition, voice acoustics, and gaze analysis. Despite the need for more scientific validation work, we conclude that there is enough understanding of how to implement these approaches as exploratory tools that may provide additional valuable insights due to the rich and frequent data they produce, to justify their inclusion in clinical study protocols.
Dosing of Ceftriaxone and Metronidazole for Children With Severe Acute Malnutrition
Authors: Standing Joseph F. , Ongas Martin O. , Ogwang Caroline , Kagwanja Nancy , Murunga Sheila , Mwaringa Shalton , Ali Rehema , Mturi Neema , Timbwa Moline , Manyasi Christine , Mwalekwa Laura , Bandika Victor L. , Ogutu Bernhards , Waichungo Joseph , Kipper Karin , Berkley James A. ,   for the FLACSAM‐PK Study Group
Published: March 2018

Infants and young children with severe acute malnutrition (SAM) are treated with empiric broad‐spectrum antimicrobials. Parenteral ceftriaxone is currently a second‐line agent for invasive infection. Oral metronidazole principally targets small intestinal bacterial overgrowth. Children with SAM may have altered drug absorption, distribution, metabolism, and elimination. Population pharmacokinetics of ceftriaxone and metronidazole were studied, with the aim of recommending optimal dosing. Eighty‐one patients with SAM (aged 2–45 months) provided 234 postdose pharmacokinetic samples for total ceftriaxone, metronidazole, and hydroxymetronidazole. Ceftriaxone protein binding was also measured in 190 of these samples. A three‐compartment model adequately described free ceftriaxone, with a Michaelis–Menten model for concentration and albumin‐dependent protein binding. A one‐compartment model was used for both metronidazole and hydroxymetronidazole, with only 1% of hydroxymetronidazole predicted to be formed during first‐pass. Simulations showed 80 mg/kg once daily of ceftriaxone and 12.5 mg/kg twice daily of metronidazole were sufficient to reach therapeutic targets.
Alloy‐Controlled Work Function for Enhanced Charge Extraction in All‐Inorganic CsPbBr3 Perovskite Solar Cells
Authors: Ding Jie , Zhao Yuanyuan , Duan Jialong , He Benlin , Tang Qunwei
Published: March 2018

All‐inorganic CsPbX3 (X=I, Br) perovskite solar cells are regarded as cost‐effective and stable alternatives for next‐generation photovoltaics. However, sluggish charge extraction at CsPbX3/charge‐transporting material interfaces, which arises from large interfacial energy differences, have markedly limited the further enhancement of solar cell performance. In this work, the work function (WF) of the back electrode is tuned by doping alloyed PtNi nanowires in carbon ink to promote hole extraction from CsPbBr3 halides, while an intermediate energy by setting carbon quantum dots (CQDs) at TiO2/CsPbBr3 interface bridges electron transportation. The preliminary results demonstrate that the matching WFs and intermediate energy level markedly reduce charge recombination. A power conversion efficiency of 7.17 % is achieved for the WF‐tuned all‐inorganic perovskite solar cell, in comparison with 6.10 % for the pristine device, and this is further increased to 7.86 % by simultaneously modifying with CQDs. The high efficiency and improved stability make WF‐controlled all‐inorganic perovskite solar cells promising to develop advanced photovoltaic platforms.
MoS2 Quantum Dots@TiO2 Nanotube Arrays: An Extended‐Spectrum‐Driven Photocatalyst for Solar Hydrogen Evolution
Authors: Wang Qun , Huang Jianying , Sun Hongtao , Ng Yun Hau , Zhang Ke‐Qin , Lai Yuekun
Published: March 2018

TiO2 nanotube arrays (TiO2 NTAs) decorated with molybdenum disulfide quantum dots (MoS2 QDs) were synthesized by a facile electrodeposition method and used as a composite photocatalyst. MoS2 QDs/TiO2 NTAs showed enhanced photocatalytic activity compared with pristine TiO2 NTAs for solar light‐promoted H2 evolution without adding any sacrificial agents or cocatalysts. The photocatalytic activity was influenced by the amount of MoS2 QDs coated on TiO2 NTAs. The optimal composition showed excellent photocatalytic activity, achieving H2 evolution rates of 31.36, 5.29, and 1.67 μmol cm−2 h−1 corresponding to ultraviolet (UV, λ<420 nm), visible (Vis, λ≥420 nm), and near‐infrared (NIR, λ>760) illumination, respectively. The improved photocatalytic activity was attributed to the decreased bandgap and the surface plasmonic properties of MoS2 QDs/TiO2 NTAs, which promoted electron–hole pair separation and the absorption capacity for Vis and NIR light. This study presents a facile approach for fabricating MoS2 QDs/TiO2 NTA heterostructures for efficient photocatalytic H2 evolution, which will facilitate the development of designing new photocatalysts for environment and energy applications.
Porous Cobalt Oxynitride Nanosheets for Efficient Electrocatalytic Water Oxidation
Authors: Liu Wei , Hou Yang , Lin Zhan , Yang Shikuan , Yu Chunlin , Lei Chaojun , Wu Xiaolin , He Denghong , Jia Qing , Zheng Guokui , Zhang Xingwang , Lei Lecheng
Published: March 2018

Exploring efficient and cheap oxygen evolution reaction (OER) electrocatalysts is of great significance for electrochemical water splitting. Herein, we successfully prepared an efficient ternary electrocatalyst of porous cobalt oxynitride (Co3OxNy) nanosheets by a simple nitridation strategy. Specifically, CoON PNS‐400 (cobalt oxynitride with porous nanosheet structure obtained at 400 oC) offered a low OER overpotential of 0.23 V to achieve the catalytic current density of 10 mA cm−2 and a small Tafel slope of 48 mV dec−1 in alkali media, outperforming most of the first‐row transition‐metal‐based OER electrocatalysts. The calculated density of states (DOS) analysis and electron spin resonance (ESR) measurements revealed that the introduction of foreign N atoms into pristine Co3O4 nanosheets can optimize the electronic structure and create more oxygen vacancies, thus leading to enhanced electrical conductivity. Density functional theory (DFT) calculations demonstrated that the foreign N atoms can also improve the energetics for OER by modulating the free energy for adsorbed intermediates (OOH*, OH*, O*), further improving the OER electrocatalytic activity of CoON PNS‐400. This work provides a possibility for rationally designing ternary transition‐metal compounds as advanced OER electrocatalysts.
Highly Efficient Hydrogenation of Levulinic Acid into γ‐Valerolactone using an Iron Pincer Complex
Authors: Yi Yuxuan , Liu Huiying , Xiao Ling‐Ping , Wang Bo , Song Guoyong
Published: March 2018

The search for nonprecious‐metal‐based catalysts for the synthesis of γ‐valerolactone (GVL) through hydrogenation of levulinic acid and its derivatives in an efficient fashion is of great interest and importance, as GVL is an important a sustainable liquid. We herein report a pincer iron complex that can efficiently catalyze the hydrogenation of levulinic acid and methyl levulinate into GVL, achieving a turnover number of up to 23 000 and a turnover frequency of 1917 h−1. This iron‐based catalyst also enabled the formation of GVL from various biomass‐derived carbohydrates in aqueous solution, thus paving a new way toward a renewable chemical industry.
Rapid on‐site evaluation using telecytology: A major cancer center experience
Authors: Lin Oscar , Rudomina Dorota , Feratovic Rusmir , Sirintrapun S. Joseph
Published: March 2018

Background

Rapid on‐site evaluation (ROSE) with cytology preparations plays a critical role in minimally invasive procedures. The time spent by a pathologist performing ROSE is unpredictable and could be used for more cost‐effective activities. The solution encountered by several institutions to address this issue is the use of telecytology (TC). This study analyzes the experience of using telecytology for ROSE in a major cancer center over a period of over 2 years.

Methods

A retrospective analysis of all remote TC evaluations for adequacy on fine needle aspiration (FNA) and touch preparations (TP) of core biopsies (CB) performed at a major cancer center was performed. The preliminary adequacy assessment was then compared to the adequacy assessment at final diagnosis.

Results

A total of 12 949 adequacy assessments were analyzed. The most common sites biopsied in our institution were lymph node, lung, and liver. There were 7725 adequacy assessments for CB (59.7%), while adequacy assessment for FNA specimens represented 40.3% (n = 5224) of the total number of specimens evaluated by ROSE. Perfect concordance between initial adequacy assessment and the adequacy assessment at final cytologic diagnosis was 93% (12 049/12 949). The final diagnosis adequacy upgrade rate was 6.7% (n = 863), and the adequacy downgrade (a specimen considered adequate on‐site that was determined to be nondiagnostic on final examination) was 0.3% (n = 37).

Conclusions

TC can be easily implemented with the current technologies available. It is cost‐effective and allows for better patient care with a more efficient use of the pathologist's time and laboratory resources.
Utility of autopsy brain imprint and squash cytology for detection of lymphoma/leukemia emboli in select patients presenting with rapid decline in mental status
Authors: Kumarapeli Asangi R. , Gokden Murat
Published: March 2018

Central nervous system (CNS) hematologic malignancies, whether primary or secondary, are uncommon and their clinical presentations vary. Intravascular lymphoma (IVL) is a very rare, aggressive systemic malignancy that is often difficult to diagnose and susceptible to early CNS involvement. Blast crisis in myeloid leukemias can cause widespread neoplastic emboli. Here, we report two adult patients (72 years and 22 years of age) who presented with altered mental status followed by rapid decline in their conditions leading to death. No prior significant medical history was present for either patient, while acute myeloid leukemia was diagnosed in the younger patient immediately before death. During autopsy, we performed imprint and squash preparations, and frozen sections of representative cerebral cortex, cerebellum, leptomeninges, and the pituitary gland. In the older patient, presence of IVL was readily detected on cytologic preparations. Diffuse involvement of brain vasculature and perivascular parenchyma with acute myeloid leukemia was identified in the other patient. Although examination of the fresh brain is not routinely performed during autopsy, these cases are presented to illustrate that imprint and squash preparations can provide a rapid and reliable provisional autopsy diagnosis in select patients.
Paraganglioma: Cytomorphologic features, radiologic and clinical findings in 12 cases
Authors: Fite J. Judd , Maleki Zahra
Published: March 2018

Background

The cytologic diagnosis of paraganglioma can be challenging because of its rarity, wide anatomic distribution, and variable cytomorphological features.

Design

The Johns Hopkins Hospital pathology archives were searched for fine‐needle aspiration (FNA) specimens confirmed as paraganglioma on histology (2003‐2015).

Results

Twelve specimens from 10 patients (6 males and 4 females) with an age range of 16‐81 years (mean = 47) were included. Anatomic location included neck (n = 4), paraspinal (n = 2), retroperitoneum (n = 2), and peripancreatic (n = 2). Cellularity of cytological specimens ranged from scant to hypercellular. The cells were arranged in clusters (n = 7), single cells (n = 6), acini (n = 3), and syncytium (n = 1). Plasmacytoid (n = 5) and spindled cells (n = 6) were often present. Nuclear details included anisonucleosis (n = 8), marked pleomorphism (n = 8), scattered binucleation and/or multinucleation, nuclear knobbing (n = 2), speckled (n = 3), coarse (n = 2), hyperchromatic chromatin (n = 3), nuclear grooves (n = 6), intranuclear pseudoinclusions (n = 2), prominent nucleoli (n = 1), naked nuclei (n = 7), and rare nuclear streaking artifact (n = 2). Cytoplasm was delicate, abundant, and granular (n = 9). Necrosis (n = 1) was rare. Synaptophysin, chromogranin, CD56, and S100 (only in sustentacular cells) were positive in tested cases. Three cases showed loss of Succinate Dehydrogenase Subunit B (SDHB). Two patients developed metachronous lesions at different sites. Three patients developed recurrence at the surgical site. Metastatic paraganglioma to the lymph nodes (n = 2), bone (n = 1), and lung (n = 1) also occurred.

Conclusion

An accurate diagnosis of paraganglioma on FNA specimens is crucial for proper treatment. SDH status should be considered for all patients with paraganglioma as it may be important for patients' lifelong follow‐up as well as for familial considerations.

Paraganglioma is a rare entity with wide age and anatomic distribution and variable cytomorphological features that often overlap with those of malignant neoplasms. Possible aggressive behavior such as recurrence and metastasis to lymph nodes, bone, and lung as well as Succinate Dehydrogenase complex mutations warrant an accurate diagnosis on aspirated material for appropriate clinical management.
Rapid plasticity attenuation soon after birth revealed by habituation in newborn chicks
Authors: Chiandetti Cinzia , Dissegna Andrea , Turatto Massimo
Published: March 2018

Habituation reflects a form of experience‐dependent plasticity whereby the organism progressively learns to ignore the irrelevant information repeatedly encountered. Here, we measured the freezing response to a repeated loud noise in three groups of newborn chicks (Gallus gallus) of different ages (1–2 Day old, 2–3 Day old, and 3–4 Day old) to investigate the ontogeny of habituation in this avian species. Habituation was already present 1 Day after hatching, revealing that the neural mechanisms underlying this form of plasticity are immediately active. Unexpectedly, however, we also found that in the second Day of stimulation the amount of learning was significantly attenuated in chicks of 3–4 days of age as compared to the younger animals, thus showing that 24–48 hr of maturation were sufficient to reduce plasticity. While previous findings in other animal species have proved the existence of a precocious critical period of plasticity in early cortical areas by means of sensory deprivation, our results demonstrate that during the initial development of an intact avian brain also the degree of plasticity underlying a learning process like habituation is maximal soon after birth, and then is subject to a rapid attenuation.
Differential effects of transient and sustained activation of BDNF‐TrkB signaling
Authors: Guo Wei , Nagappan Guhan , Lu Bai
Published: March 2018

Brain‐derived neurotrophic factor (BDNF) serves a pleiotropic role in the central nervous system, ranging from promoting neuronal survival and differentiation during development and synaptic modulation in the adult. An important, yet unanswered question is how BDNF could serve such diverse functions, sometimes in the same cell. At least two modes of BDNF actions have been elucidated so far based on BDNF signaling kinetics and/or the activity status of the responding neurons. Acute and gradual increases in extracellular BDNF concentrations elicit, respectively, transient and sustained activation of TrkB receptor and its downstream signaling, leading to differential molecular and cellular functions. In cultured neurons, sustained TrkB activation promotes neuronal dendritic arborization and spinogenesis, whereas transient TrkB activation facilitates dendritic growth and spine morphogenesis. In hippocampal slices, slow delivery of BDNF facilitates LTP, whereas fast application of BDNF enhances basal synaptic transmission in schaffer collateral synapses. High‐frequency stimulation of neurons converts BDNF‐induced TrkB signaling from a transient to a sustained mode. These initial insights lay the foundation for future investigation of the BDNF‐TrkB pathway, and analogous signaling pathways to gain a comprehensive understanding to enable translational research. © 2018 Wiley Periodicals, Inc. Develop Neurobiol 78: 647–659, 2018
Detection and pharmacokinetics of grapiprant following oral administration to exercised Thoroughbred horses
Authors: Knych Heather K. , Seminoff Kelsey , McKemie Dan S.
Published: March 2018

Traditional therapeutic options for the treatment of lameness associated with inflammation in performance horses include administration of cyclooxygenase enzyme inhibiting non‐steroidal anti‐inflammatory drugs (NSAID). As long‐term use of these drugs can adversely impact the health of the horse, anti‐inflammatories with a more favorable safety profile are warranted. Grapiprant is a newly approved non‐cyclooxygenase inhibiting NSAID that has demonstrated efficacy and safety in other species and which may be a valuable alternative to traditional NSAIDs used in the horse. The objectives of the current study were to describe drug concentrations and the pharmacokinetics of grapiprant in exercised Thoroughbred horses and to develop an analytical method that could be used to regulate its use in performance horses. To that end, grapiprant, at a dose of 2 mg/kg was administered orally to 12 exercised Thoroughbred horses. Blood and urine samples were collected prior to and for up to 96 hours post drug administration. Drug concentrations were measured using liquid chromatography–tandem mass spectrometry. Grapiprant remained above the LOQ of the assay (0.005 ng/mL) in serum for 72 hours post administration and urine concentrations were above the LOQ until 96 hours. The Cmax, Tmax and elimination half‐life were 31.9 ± 13.9 ng/mL, 1.5 ± 0.5 hours and 5.86 ± 2.46 hours, respectively. The drug was well tolerated in all horses at a dose of 2 mg/kg. Results support further study of this compound in horses. Furthermore, development of a highly sensitive analytical method demonstrate that this compound can be adequately regulated in performance horses.
Drug abuse screening with exhaled breath and oral fluid in adults with substance use disorder
Authors: Arvidsson Michel , Ullah Shahid , Franck Johan , Dahl Marja‐Liisa , Beck Olof
Published: March 2018

In the treatment of substance use disorder, regular laboratory‐based testing has the dual purpose of monitoring compliance with the prescribed medication and abstention from medically non‐motivated substances (ie, drug abuse screening). The principal specimen for testing is urine, but collection of urine has some disadvantages, for example being more time‐consuming and more intrusive compared to other matrices. There is also the risk of adulteration. This project compared exhaled breath and oral fluid as alternative matrices for drug abuse screening in patients with substance use disorder. All 51 subjects included in the study were enrolled at the Drug Addiction Emergency Unit in Stockholm. Exhaled breath, oral fluid, and urine samples were collected together with a self‐report. Of all 117 self‐reported drug intakes during the previous week, 72% were confirmed in urine, 73% in oral fluid and 39% in exhaled breath. In 31% of the subjects, additional substances other than those self‐reported were detected analytically. For substance abuse screening, urine had the highest detection rate for buprenorphine, cannabis, and benzodiazepines, while oral fluid had the highest detection rate for amphetamines and methadone. Exhaled breath showed the highest detection rate of all matrices for cocaine. To identify significant differences in detection rates between the matrices future studies with larger sampling sizes are needed. Both oral fluid and exhaled breath are viable alternative specimens to urine, depending on the circumstances and purpose of the testing.
The association between reading abilities and visual‐spatial attention in Hong Kong Chinese children
Authors: Liu Sisi , Liu Duo , Pan Zhihui , Xu Zhengye
Published: March 2018

A growing body of research suggests that visual‐spatial attention is important for reading achievement. However, few studies have been conducted in non‐alphabetic orthographies. This study extended the current research to reading development in Chinese, a logographic writing system known for its visual complexity. Eighty Hong Kong Chinese children were selected and divided into poor reader and typical reader groups, based on their performance on the measures of reading fluency, Chinese character reading, and reading comprehension. The poor and typical readers were matched on age and nonverbal intelligence. A Posner's spatial cueing task was adopted to measure the exogenous and endogenous orienting of visual‐spatial attention. Although the typical readers showed the cueing effect in the central cue condition (i.e., responses to targets following valid cues were faster than those to targets following invalid cues), the poor readers did not respond differently in valid and invalid conditions, suggesting an impairment of the endogenous orienting of attention. The two groups, however, showed a similar cueing effect in the peripheral cue condition, indicating intact exogenous orienting in the poor readers. These findings generally supported a link between the orienting of covert attention and Chinese reading, providing evidence for the attentional‐deficit theory of dyslexia.
The costs and benefits of pollinator dependence: empirically based simulations predict raspberry fruit quality
Authors: Sáez Agustín , Morales Juan M. , Morales Carolina L. , Harder Lawrence D. , Aizen Marcelo A.
Published: March 2018

Globally, agriculture increasingly depends on pollinators to produce many seed and fruit crops. However, what constitutes optimal pollination service for pollinator‐dependent crops remains unanswered. We developed a simulation model to identify the optimal pollination service that maximizes fruit quality in crops. The model depicts the pollination (i.e., autonomous self‐fertilization, pollen deposition) and post‐pollination (i.e., pollen germination, and time from germination to ovule fertilization) processes leading to fruit and seed set and allows for negative flower–pollinator interactions, specifically pistil damage. We parameterized and validated the model based on empirical observations of commercial raspberry in western Argentina. To assess the effects of pollination intensity for fruit production, we conducted simulations over a range of visit number per flower by the two primary managed pollinators worldwide, Apis mellifera and Bombus terrestris. Simulations identified that ~15–35 visits per flower by A. mellifera or ~10–20 visits by B. terrestris provide adequate pollination and maximize raspberry fruit quality (i.e., estimated as the proportion of ovules that develop into drupelets). Visits in excess of these optima reduce simulated fruit quality, and flowers receiving >670 honey bee visits or >470 bumble bee visits would produce fruits of poorer quality than those receiving no bee visits. The simulations generated consistent, unbiased predictions of fruit quality for 12 raspberry fields. This model could be adapted easily to other animal‐pollinated crops and used to guide efficient pollinator management in any agro‐ecosystem.
Within trophic level shifts in collagen–carbonate stable carbon isotope spacing are propagated by diet and digestive physiology in large mammal herbivores
Authors: Codron Daryl , Clauss Marcus , Codron Jacqueline , Tütken Thomas
Published: March 2018

Stable carbon isotope analyses of vertebrate hard tissues such as bones, teeth, and tusks provide information about animal diets in ecological, archeological, and paleontological contexts. There is debate about how carbon isotope compositions of collagen and apatite carbonate differ in terms of their relationship to diet, and to each other. We evaluated relationships between δ13Ccollagen and δ13Ccarbonate among free‐ranging southern African mammals to test predictions about the influences of dietary and physiological differences between species. Whereas the slopes of δ13Ccollagen–δ13Ccarbonate relationships among carnivores are ≤1, herbivore δ13Ccollagen increases with increasing dietary δ13C at a slower rate than does δ13Ccarbonate, resulting in regression slopes >1. This outcome is consistent with predictions that herbivore δ13Ccollagen is biased against low protein diet components (13C‐enriched C4 grasses in these environments), and δ13Ccarbonate is 13C‐enriched due to release of 13C‐depleted methane as a by‐product of microbial fermentation in the digestive tract. As methane emission is constrained by plant secondary metabolites in browse, the latter effect becomes more pronounced with higher levels of C4 grass in the diet. Increases in δ13Ccarbonate are also larger in ruminants than nonruminants. Accordingly, we show that Δ13Ccollagen‐carbonate spacing is not constant within herbivores, but increases by up to 5 ‰ across species with different diets and physiologies. Such large variation, often assumed to be negligible within trophic levels, clearly cannot be ignored in carbon isotope‐based diet reconstructions.
New biomolecular tools for aerobiological monitoring: Identification of major allergenic Poaceae species through fast real‐time PCR
Authors: Ghitarrini Sofia , Pierboni Elisa , Rondini Cristina , Tedeschini Emma , Tovo Gloria R. , Frenguelli Giuseppe , Albertini Emidio
Published: March 2018

Grasses (Poaceae) are very common plants, which are widespread in all environments and urban areas. Despite their economical importance, they can represent a problem to humans due to their abundant production of allergenic pollen. Detailed information about the pollen season for these species is needed in order to plan adequate therapies and to warn allergic people about the risks they take in certain areas at certain moments. Moreover, precise identification of the causative species and their allergens is necessary when the patient is treated with allergen‐specific immunotherapy. The intrafamily morphological similarity of grass pollen grains makes it impossible to distinguish which particular species is present in the atmosphere at a given moment. This study aimed at developing new biomolecular tools to analyze aerobiological samples and identifying major allergenic Poaceae taxa at subfamily or species level, exploiting fast real‐time PCR. Protocols were tested for DNA extraction from pollen sampled with volumetric and gravimetric methods. A fragment of the matK plastidial gene was amplified and sequenced in Poaceae species known to have high allergological impact. Species‐ and subfamily‐specific primer–probe systems were designed and tested in fast real‐time PCRs to evaluate the presence of these taxa in aerobiological pollen samples. Species‐specific systems were obtained for four of five studied species. A primer–probe set was also proposed for the detection of Pooideae (a grass subfamily that includes also major cereal grains) in aerobiological samples, as this subfamily includes species carrying both grass allergens from groups 1 and 5. These, among the 11 groups in which grass pollen allergens are classified, are considered responsible for the most frequent and severe symptoms.
A new strategy to infer circularity applied to four new complete frog mitogenomes
Authors: Jacob Machado Denis , Janies Daniel , Brouwer Cory , Grant Taran
Published: March 2018

We applied a novel strategy to infer sequence circularity and complete assembly of four mitochondrial genomes (mitogenomes) of the frog families Bufonidae (Melanophryniscus moreirae), Dendrobatidae (Hyloxalus subpunctatus and Phyllobates terribilis), and Scaphiopodidae (Scaphiopus holbrookii). These are the first complete mitogenomes of these four genera and Scaphiopodidae. We assembled mitogenomes from short genomic sequence reads using a baiting and iterative mapping strategy followed by a new ad hoc mapping strategy developed to test for assembly circularization. To assess the quality of the inferred circularization, we used Bowtie2 alignment scores and a new per‐position sequence coverage value (which we named “connectivity”). Permutation tests with 400 iterations per specimen and 1% or 5% chance of mutation at the ends of the putative circular sequences showed that the proposed method is highly sensitive, with a single nucleotide insertion or deletion being sufficient for circularity to be rejected. False positives comprised only 2% of all observations and possessed significantly lower alignment scores. The size, gene content, and gene arrangement of each mitogenome differed among the species but matched the expectations for their clades. We argue that basic studies on circular sequences can benefit from the results and bioinformatics procedures introduced here, especially when closely related references are lacking.
The environmental zero‐point problem in evolutionary reaction norm modeling
Authors: Ergon Rolf
Published: March 2018

There is a potential problem in present quantitative genetics evolutionary modeling based on reaction norms. Such models are state‐space models, where the multivariate breeder's equation in some form is used as the state equation that propagates the population state forward in time. These models use the implicit assumption of a constant reference environment, in many cases set to zero. This zero‐point is often the environment a population is adapted to, that is, where the expected geometric mean fitness is maximized. Such environmental reference values follow from the state of the population system, and they are thus population properties. The environment the population is adapted to, is, in other words, an internal population property, independent of the external environment. It is only when the external environment coincides with the internal reference environment, or vice versa, that the population is adapted to the current environment. This is formally a result of state‐space modeling theory, which is an important theoretical basis for evolutionary modeling. The potential zero‐point problem is present in all types of reaction norm models, parametrized as well as function‐valued, and the problem does not disappear when the reference environment is set to zero. As the environmental reference values are population characteristics, they ought to be modeled as such. Whether such characteristics are evolvable is an open question, but considering the complexity of evolutionary processes, such evolvability cannot be excluded without good arguments. As a straightforward solution, I propose to model the reference values as evolvable mean traits in their own right, in addition to other reaction norm traits. However, solutions based on an evolvable G matrix are also possible.
Runoff from biocrust: A vital resource for vegetation performance on Mediterranean steppes
Authors: Rodríguez‐Caballero Emilio , Chamizo Sonia , Roncero‐Ramos Beatriz , Román Raúl , Cantón Yolanda
Published: March 2018

Dryland vegetation is limited by water scarcity, and usually appears in the form of sparsely distributed patches within a heterogeneous unvegetated matrix often covered by biological soil crust. Biocrusts usually act as runoff sources, whereas vegetation acts as sinks, reinfiltrating most of the run‐on from upstream biocrusted areas. Alteration of biocrusts by human disturbances or climate change may exert a strong impact on soil erosion, promoting rill formation, increasing flow connectivity between source areas and reducing run‐on inputs to vegetation, strongly affecting ecosystem functioning. The role of biocrust runoff in vegetation productivity, which to date has not been studied in depth, must therefore be understood to predict the consequences of such changes. In this study, we analysed the response of Machrochloa tenacissima to run‐on exclusion for two years and compared it to the performance of plants of the same species receiving runoff from biocrusted source patches. The results showed that plants receiving run‐on had more photosynthetically active biomass, net C uptake rates and water‐use efficiency than plants under run‐on exclusion. Differences between treatments became wider over time, especially after rainfall, when the differences in water availability were greatest. These results lead to the conclusion that run‐on is a crucial water input for dryland vegetation. Any alteration of unvegetated areas usually covered by biocrust may have important effects on vegetation productivity similar to those from changes in precipitation pattern, and would result in a new, eco‐hydrological equilibrium of the whole ecosystem.
The impact of aerobic exercise training with vascular occlusion in patients with chronic heart failure
Authors: Tanaka Yasushi , Takarada Yudai
Published: March 2018

Aims

This study aimed to evaluate the impact of aerobic exercise training with vascular occlusion in patients with chronic heart failure.

Methods and results

Thirty patients with post‐infarction heart failure were randomized to an interventional exercise group (IG; n = 15) or a control exercise group (CG; n = 15). Exercise was performed at an intensity of 40–70% of the peak VO2/W for 6 months. Patients in the IG remained seated on the saddle of the cycle ergometer with their feet on the pedals. Pneumatic tourniquets were applied to the proximal ends of their thighs with appropriate pressure resulting in a 40–80 mmHg increase in the systolic blood pressure that is required for vascular occlusion (208.7 ± 7.4 mmHg). We evaluated the safety and efficacy of the intervention and its effect on exercise capacity and serum BNP levels. There were no significant differences between the IG and CG in patient characteristics at study entry. Peak VO2/W in the IG significantly increased compared with that in the CG; the change in the serum BNP levels was significantly larger in the IG than in the CG.

Conclusions

These results suggest that aerobic exercise training with vascular occlusion can improve exercise capacity and serum BNP levels in patients with chronic heart failure.
Substituent‐Induced Deformed Ni–Porphyrin as an Electrocatalyst for the Electrochemical Conversion of Water into Dioxygen
Authors: Krishna Jonnadula Venkata Suman , Krishna Narra Vamsi , Singh Santosh K. , Shaw Pankaj K. , Dhavale Vishal M. , Vardhaman Anil Kumar , Giribabu Lingamallu
Published: March 2018

The electrochemical water oxidation ability of complexes 5,15‐diphenylporphinatonickel(II) (A) and 5,15‐bis(3,5‐di‐tert‐butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5‐di‐tert‐butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.
Relationship of Crystal Structure and Microwave Dielectric Properties in Ni0.5Ti0.5NbO4 Ceramics with Ta Substitution
Authors: Huang Xin , Zhang Huaiwu , Lai Yuanming , Wang Gang , Li Mingming , Hong Caiyun , Li Jie
Published: March 2018

We have prepared Ni0.5Ti0.5Nb1–xTaxO4 microwave dielectric ceramics using a traditional solid‐state reaction method. The influence of Ta5+ substituted at the Nb5+ site on the crystal structures and dielectric properties of Ni0.5Ti0.5Nb1–xTaxO4 ceramics is discussed. Structural refinement indicates that the distortion in the oxygen octahedron is affected by Ta substitution. The dielectric constant is dependent on the polarization of the NbO6 octahedron. The Q × f value is improved as the Ta content increases, because of the increasing packing fractions. The τf value is mostly dominated by distortions of the Nb–O bonds (δNb–O); and δNb–O reduces with increasing Ta ion doping in the Nb site, which makes the τf value decrease with increasing Ta content. Optimal microwave dielectric properties (εr = 48.5, Q × f = 17500 GHz, and τf = 88.6 ppm °C–1 at the resonant frequency of 6.05 GHz) are obtained for Ni0.5Ti0.5Nb1–xTaxO4 ceramics at x = 0.2.
Modulating In Vitro Photodynamic Activities of Copper(II) Complexes
Authors: Musib Dulal , Raza Md Kausar , Kundu Somashree , Roy Mithun
Published: March 2018

The photodynamic activities of selected copper(II) complexes [Cu(L1)B]ClO4 (1,2) and [Cu(L2)B]ClO4 (3,4), where L1 = 2‐[(pyridin‐2‐yl)methyleneamino]phenol, L2 = 2‐[(pyridin‐2‐yl)methyleneamino]benzenethiol and B are 1H‐imidazo[4,5‐f][1,10]phenanthroline (L3) and 1‐(pyren‐2‐yl)‐1H‐imidazo[4,5‐f][1,10]phenanthroline (L4), were studied in detail in a structure‐activity relationship (SAR)‐based approach to explore the role of S‐coordination to CuII in photodynamic therapy (PDT) to human cervical cancer (HeLa) cells. Although all of the complexes were toxic in the dark (IC50 ≈ 10 µm), we observed enormous enhancement (about 10 fold) in the cytotoxicity of the complexes in visible light (400–700 nm, 10 J cm–2), resulting in IC50 ≈ 1.0 µm. Intracellular reactive oxygen species (ROS) generated in the HeLa cells during photoactivation of the complexes was examined by 2′,7′‐dichlorofluorescein diacetate (DCFH‐DA) assay. The degree of photocytotoxicity of the complexes is related to the 1O2 generation. S‐coordinated complexes exhibited enhanced photocytotoxicity due to the presence of the low‐lying, long‐lived triplet excited state and hence increased ability to generate 1O2 from 3O2 in a type‐II photoprocess. We observed dual photosensitization of S‐coordination and the pyrenyl moiety for complex 4, leading to a remarkable PDT effect in HeLa cells with IC50 ≈ 0.3 µm, and the cell death was apoptotic in nature. Overall, a SAR‐based approach in modulating the in vitro photodynamic activity of the copper(II) complexes is of paramount importance in designing copper‐based next‐generation PDT agents.
Halogen Bonds in Square Planar 2,5‐Dihalopyridine–Copper(II) Bromide Complexes
Authors: Puttreddy Rakesh , von Essen Carolina , Rissanen Kari
Published: March 2018

Halogen bonding in self‐complementary 1:2 metal–ligand complexes obtained from copper(II) bromide (CuBr2) and seven 2,5‐dihalopyridines were analyzed using single‐crystal X‐ray diffraction. All presented discrete complexes form 1D polymeric chains connected with C–X···Br–Cu halogen bonds (XB). In (2‐chloro‐5‐X‐pyridine)2·CuBr2 (X = Cl, Br, and I) only the C5‐halogen and in (2‐bromo‐5‐X‐pyridine)2·CuBr2 (X = Cl, Br, and I) both C2‐ and C5‐halogens form C–X···Br–Cu halogen bonds with the X acting as the XB donor and copper‐coordinated bromide as the XB acceptor. The electron‐withdrawing C2‐chloride in (2‐chloro‐5‐X‐pyridine)2·CuBr2 complexes has only a minor effect on the C5–X5···Br–Cu XBs, and the X5···Br distances follow the expected order I5 < Br5 < Cl5 with RXB values of 0.91, 0.94, and 0.99, respectively. In (2‐bromo‐5‐X‐pyridine)2·CuBr2 complexes, due to the polarization of both halogens, the C2–X2···Br–Cu and C5–X5···Br–Cu RXB values are very similar [0.92–0.99] as a result of the competition between C2‐ and C5‐halogens for XB formation. In addition to the classical halogen bonds, the square‐planar CuII complexes exhibit C2–X2···Cu (X = Cl and Br) contacts perpendicular to the Br–Cu–Br plane with shorter C2–Br2···Cu than C2–Cl2···Cu contacts. These interactions induce a pseudo‐octahedral geometry for CuII ions. Notably, C2–X2···Br–Cu halogen bonds and the additional C2–X2···Cu contacts are slightly enhanced by the C5‐halogen electronegativity.
Reaction Systems for Bubbly Flows
Authors: Paul Melanie , Strassl Florian , Hoffmann Alexander , Hoffmann Marko , Schlüter Michael , Herres‐Pawlis Sonja
Published: March 2018

Reactive bubbly flows are at the heart of multiphase flows which are a major topic in chemical engineering since many bulk chemicals are produced in bubbly flows. However, the factors determining product yield and selectivity are often subject of complicated mass transfer effects. Herein, we describe the latest developments in the detection of mass transfer effects in bubbly flows. Coordination chemistry has given new impulses to this topic due to the possibility to synthesise tailored complex systems for the detection of O2 and NO with various time‐ and space‐resolved techniques. For each chemical reaction system, a background section is summarised to allow the reader to get an overview of the different systems.
Self‐Assembly of Polyoxometalate–Peptide Hybrids in Solution: Elucidating the Contributions of Multiple Possible Driving Forces
Authors: Luo Jiancheng , Zhang Baofang , Yvon Carine , Hutin Marie , Gerislioglu Selim , Wesdemiotis Chrys , Cronin Leroy , Liu Tianbo
Published: March 2018

Incorporating the building blocks of nature (e.g., peptides and DNA) into inorganic polyoxometalate (POM) clusters is a promising approach to improve the compatibilities of POMs in biological fields. To extend their biological applications, it is necessary to understand the importance of different non‐covalent interactions during self‐organization. A series of Anderson POM–peptide hybrids have been used as a simple model to demonstrate the role of different interactions in POM–peptide (biomolecules) systems. Regardless of peptide chain length, these hybrids follow similar solution behaviors, forming hollow, spherical supramolecular structures in acetonitrile/water mixed solvents. The incorporation of peptide tails introduces interesting stimuli‐responsive properties to temperature, hybrid concentration, solvent polarity and ionic strength. Unlike the typical bilayer amphiphilic vesicles, they are found to follow the blackberry‐type assemblies of hydrophilic macroions, which are regulated by electrostatic interaction and hydrogen bonding. The formation of electrostatic assemblies before the supramolecular formation is confirmed by ion‐mobility mass spectrometry (IMS‐MS).
Ligand Rearrangement and Hemilability in Rhodium(I) and Iridium(I) Complexes Bearing Terphenyl Phosphanes
Authors: Moreno Juan José , Espada María F. , Krüger Eric , López‐Serrano Joaquín , Campos Jesús , Carmona Ernesto
Published: March 2018

The synthesis of a series of cationic rhodium(I) and iridium(I) compounds stabilized by sterically demanding phosphanes that contain a terphenyl substituent PMe2Ar′ (Ar′ = 2,6‐diarylphenyl) is described. Salt metathesis of metal precursors [MCl(COD)(PMe2Ar′)] (M = Rh, Ir; COD = cyclooctadiene) with NaBArF {BArF = B[3,5‐C6H3(CF3)2]4} resulted in a series of cationic complexes in which the loss of the chlorido ligand is compensated by the appearance of relatively weak π interactions with one of the flanking aryl rings of the terphenyl substituent. The same experiments carried out with carbonyl complexes [MCl(CO)2(PMe2Ar′)] led to the corresponding cationic carbonyl complexes, the CO‐induced rearrangement reactivity of which was investigated, both experimentally and computationally. The differences in reactivity between rhodium and iridium complexes and as a result of varying the sterics of terphenyl phosphanes are discussed.