bluuebunny/crossref_metadata_2025 huggingface dataset:
Why the c‐Fos/c‐Jun complex is extremely conserved: An in vitro evolution exploration by combining cDNA display and proximity ligation
Authors: Kang Shou‐Kai , Chu Xin‐Yi , Tian Tian , Dong Peng‐Fei , Chen Bai‐Xue , Zhang Hong‐Yu
Published: April 2019

Transcriptional regulation involves a series of sophisticated protein–protein and protein–DNA interactions (PPI and PDI). Some transcriptional complexes, such as c‐Fos/c‐Jun and their binding DNA fragments, have been conserved over the past one billion years. Considering the thermodynamic principle for transcriptional complex formation, we hypothesized that the c‐Fos/c‐Jun complex may represent a thermodynamic summit in the evolutionary space. To test this, we invented a new method, termed One‐Pot‐seq, which combines cDNA display and proximity ligation to analyse PPI/PDI complexes simultaneously. We found that the wild‐type c‐Fos/c‐Jun complex is indeed the most thermodynamically stable relative to various mutants of c‐Fos/c‐Jun and binding DNA fragments. Our method also provides a universal approach to detect transcriptional complexes and explore transcriptional regulation mechanisms.
Ultrasound grayscale image quality comparison between a 2D intracavitary transducer and a 3D intracavitary transducer used in 2D mode: A phantom study
Authors: Zhou Wei , Long Zaiyang , Tradup Donald J. , Stekel Scott F. , Browne Jacinta E. , Brown Douglas L. , Hangiandreou Nicholas J.
Published: April 2019

Purpose

It is unclear if a 3D transducer with the special design of mechanical swing or 2D array could provide acceptable 2D grayscale image quality for the general diagnosis purpose. The aim of this study is to compare the 2D image quality of a 3D intracavitary transducer with a conventional 2D intracavitary transducer using clinically relevant phantom experiments.

Methods

All measurements were performed on a GE Logiq E9 scanner with both a 2D (IC5‐9‐D) and a 3D (RIC5‐9‐D) transducer used in 2D mode. Selection of phantom targets and acquisition parameters were determined from analysis of 33 clinical pelvic exams. Depth of penetration (DOP), contrast response, contrast of anechoic cylinders (diameter: 6.7 mm) at 1.5 and 4.5 cm depths in transverse planes, and in‐plane resolution represented by full‐width half‐maximum of pin targets at multiple depths were measured with transmit frequencies of 7 and 8 MHz. Spherical signal‐noise‐ratio (SNR) (diameter: 4 and 2 mm) at multiple depths were measured at 8 MHz.

Results

RIC5‐9‐D demonstrated <8% decrease in DOP for both transmit frequencies (7 MHz: 69.7 ± 8.2 mm; 8 MHz: 64.3 ± 7.8 mm) compared with those from IC5‐9‐D (7 MHz: 73.9 ± 4.4 mm; 8 MHz: 69.4 ± 7.8 mm). A decreased anechoic contrast was observed with a 4.5 cm depth for RIC5‐9‐D (7 MHz: 23.2 ± 1.8 dB, P > 0.05; 8 MHz: 17.7 ± 0.9 dB, P < 0.01) compared with IC5‐9‐D (7 MHz: 25.9 ± 1.2 dB; 8 MHz: 21.5 ± 0.8 dB). The contrast response and spatial resolution performance were comparable between the two transducers. RIC5‐9‐D showed comparable SNR of anechoic spheres compared to IC5‐9‐D.

Conclusions

2D images from a 3D probe exhibited comparable overall image quality for routine clinical pelvic imaging.
Enhancement of mass transfer from particles by local shear‐rate and correlations with application to drug dissolution
Authors: Wang Yanxing , Brasseur James G.
Published: April 2019

We analyze hydrodynamic enhancement of mass (or heat) release rate from small spherical particles within fluid flows from local flow shear‐rate, with application to drug dissolution. Combining asymptotic theories in the high/low shear Peclet number limits in Stokes flow with 205 carefully‐developed computational experiments, we develop accurate correlations for shear enhancement of Sherwood/Nusselt number (Sh/Nu) as a function of shear Peclet and Reynolds number (S*, Re
S). The data spanned S* from 0 to 500 and Re
S from 0 to 10. In Stokes flow our correlations are highly accurate over the entire S* range, whereas for finite Re
S < 1 accuracy is good for S* up to a few thousand. Shear enhancement results from highly three‐dimensional spiraling flow created by particle spin. We develop a model for particle slip velocity that is inserted into the Ranz/Marshall correlation to show that shear‐rate enhancement strongly dominates convection, a result important to drug dissolution.
High purity ethane/ethylene separation by gas phase simulated moving bed using ZIF‐8 adsorbent
Authors: Martins Vanessa F. D. , Ribeiro Ana M. , Kortunov Pavel , Ferreira Alexandre , Rodrigues Alírio E.
Published: April 2019

Growing population and demand for plastics and synthetic fluids in climate friendly environment sets the unprecedented industrial challenge to increase production of clean chemical precursors (e.g., ethylene) with reduced energy consumption and CO2 foot print. The production of polymer‐grade ethylene (>99.9%) from steam cracked gas or oil relies on a cascade of energy intensive distillations of gases. Therefore, in this work two simulated moving bed (SMB) cycles were employed to separate mixtures containing of about 40% of ethane and 60% of ethylene on zeolitic imidazole framework‐8 granulates. The separation cycles were performed with two desorbents with different relative adsorption strength. In the experiment, with carbon dioxide as desorbent, ethylene was obtained with 99.6% purity and 94.2% recovery, while in the experiment using propane as desorbent only 77.1% of ethylene is recovered with a purity of 82.7%. Indeed, it can be concluded that when CO2 is used as desorbent, the obtained productivity is higher. The mathematical SMB model and regions of separation were determined for each desorbent based on experimental data.
Determinants of objectively measured physical activity in rural East Timorese children
Authors: Spencer Phoebe R. , Sanders Katherine A. , Judge Debra S.
Published: April 2019

Objectives

The human juvenile period evolved as a period of learning and physical development in a family environment that subsidizes the costs of these processes. Children allocate energy to physical activity, maintenance, and growth. How energy is allocated has consequences for adult body size and other life‐history traits. In subsistence agriculture populations, where child contributions to the household economy are common and energy availability is low, trade‐offs in energy expenditure between activity and growth may help explain poor growth.

Methods

Using accelerometry, we measured physical activity over 2 years in 88 free‐living children aged 5‐19 years in two ecologically varying communities in rural Timor‐Leste. We model characteristics related to variation in activity, and subsequently, activity is modeled against growth, illness, and aspects of household and local ecology using linear mixed models.

Results

Physical activity in Timorese children is characterized by high levels of moderate ( = 8.8 h/day), no sustained vigorous, and little sedentary activity ( = 4.6 h/day). Children in the mountainous community show a slight trade‐off between activity and growth (P = .077). Males down‐regulate both growth and activity relative to females. Variation in household characteristics does not predict child activity. Both activity and growth are lower in the mountainous community than in the flat, coastal community.

Conclusions

Household demands on child behavior may constrain children's ability to moderate activity relative to nutritional status. Activity in this population is high relative to other subsistence populations, possibly because children face the dual pressures of contributing to household subsistence and attending school.
Protective effect of hydroxychloroquine on rheumatoid arthritis‐associated atherosclerosis
Authors: Shi Na , Zhang Shuangyue , Silverman Gregg , Li Mengtao , Cai Jun , Niu Haitao
Published: April 2019

Background

Patients with rheumatoid arthritis (RA) have an increased risk for cardiovascular disease. We examined the effect of gut microbiota in a mouse model of RA that develops atherosclerosis.

Methods

We created three groups of K/BxN female mice that were positive for the anti‐glucose‐6‐phosphate isomerase (GPI) antibody: control diet (CD), high fat diet (HFD), and HFD with hydroxychloroquine (HFD + HCQ). Serological tests were used to detect the serum levels of total cholesterol (TCHO), low‐density lipoprotein cholesterol (LDL‐C), triglyceride (TG), high‐density lipoprotein cholesterol (HDL‐C), anti‐GPI antibody titers, and serum cytokines. Atherosclerotic plaque was determined by histological analysis, and gut microbiota were determined by 16sV4 sequencing.

Results

Relative to mice given the CD, those receiving the HFD had increased serum levels of LDL‐C, TCHO, and TG, decreased serum levels of HDL‐C, increased atherosclerotic lesions in the aortic root, and altered gut microbiota. Addition of HCQ to HFD decreased the serum levels of LDL‐C, TCHO, and TG, increased serum levels of HDL‐C, and decreased the atherosclerotic lesions in the aortic root. Mice receiving HFD + HCQ also had the greatest bacterial diversity among the three experimental groups. Moreover, HCQ treatment significantly increased the abundance of Akkermansia and Parabacteroides, and decreased the abundance of Clostridium sensu stricto cluster 1, and therefore may be responsible for the reduced RA‐associated atherosclerosis and dyslipidemia.

Conclusion

Our mouse model of RA indicated that HFD increased ankle width and aggravated atherosclerosis and dyslipidemia, and that HCQ alleviated the dyslipidemia and atherosclerosis, but had no effect on ankle width.
Triple regional anaesthesia technique in resection of left pleuropulmonary sarcoma and left subclavian artery bypass
Authors: Dillon D. , Johnston D. F.
Published: April 2019

A 28‐year‐old woman presented for excision of a left‐sided pleuropulmonary sarcoma which was adherent to her left subclavian artery and mediastinum. A left upper lobe wedge resection was performed via a median sternotomy and a left carotid artery‐to‐left subclavian artery bypass was performed through a left supraclavicular incision. We report on a triple regional anaesthesia technique to provide postoperative analgesia. We inserted bilateral transverse thoracic plane catheters for continuous local anaesthetic infusion and performed bilateral subcostal transversus abdominus plane blocks for drain site analgesia. A left superficial cervical plexus block was performed to cover pain from the supraclavicular incision. Anteromedial chest wall blocks are an emerging analgesic technique for sternotomy and were successfully used as part of a combined regional anaesthetic for a patient undergoing complex thoracic surgery.
China's hegemonic intentions and trajectory: Will it opt for benevolent, coercive, or Dutch‐style hegemony?
Authors: Danner Lukas K. , Martín Félix E.
Published: April 2019

China's unprecedented economic growth led some scholars to conclude that it will replace the United States as the future global hegemon. However, China's intentions in exercising future global leadership are yet unknown and difficult to extrapolate from its often contradictory behaviour. A preliminary overview of China's island building in the South China Sea reveals its potentially coercive intentions. This inference is consistent with the analysis of those who prognosticate China's violent rise. Conversely and simultaneously, China's participation in peacekeeping operations and its global investments evince its benevolent hegemonic intentions, which are congruent with the argument of those who predict China's peaceful hegemonic ascent. Confronted with these divergent tendencies in China's recent international relations, and assuming its continued rise, it is, thus, essential to examine China's strategic intentions and how these may ultimately project its violent or peaceful hegemonic rise. This article argues that the “Third Way” or “Dutch‐style” hegemony is highly instructive in this context and, thus, should be examined and added to the existing debate on China's rise as either a benevolent or coercive hegemon. We argue that Dutch‐style hegemony may be the most viable way for China to proceed in its global hegemonic ascendancy.
Corruption and the business environment in Vietnam: Implications from an empirical study
Authors: Maruichi Daisuke , Abe Masato
Published: April 2019

This paper examines the effect of corruption on the business environment in Vietnam. Our survey of firms conducted in Vietnam suggests that corruption is perceived as the most impactful business obstacle for their operation. It was also found that corruption has a significant negative association with the overall satisfaction of the business environment in Vietnam, which supports the hypothesis that corruption has a “sand the wheel” effect on firms' business activities. Given these results, it is urgent that the Vietnamese public authorities accelerate efforts in mitigating this issue. Although this paper sheds light on the importance of corruption, it would be useful to conduct follow‐up studies examining corruption and its impact in more detail. Such studies could be conducted in segments that most severely suffer from corruption according to our survey, that is, medium‐sized enterprises in the hotel/restaurant and construction sectors, Hanoi based, and Vietnamese owned firms.
Small‐scale and multi‐species approaches for assessing litter decomposition and soil dynamics in high‐diversity forests
Authors: Martini Francesco , Xia Shang‐Wen , Yang Xiaodong , Goodale Uromi Manage
Published: April 2019

Premise of the Study

The relationship between tree species abundance and diversity and soil chemistry has been studied in several ecosystems and at different spatial scales. However, species‐specific assessments have mainly been conducted in temperate ecosystems and in monospecific settings, calling for studies from diverse, mixed forests from different ecosystems.

Methods

In a subtropical forest in southern China, under four dominant tree canopy species (Lithocarpus chintungensis,Castanopsis wattii,Schima noronhae, andManglietia insignis), we assessed species’ effect on inter‐ and intraspecific percentages of litter mass loss, and the effect of species on soil nutrients and soil microbial biomass.

Results

Our results show significant differences in litter decomposition for all four species; however, the percentage of litter mass loss was stable under different species. Microbial biomass and soil nutrients presented strong differences under different tree species. Species‐specific differences in soil characteristics were seen for carbon‐nitrogen‐phosphorus relationships. Surprisingly, the correlations between carbon and phosphorus and between nitrogen and phosphorus showed opposite slopes in soils collected under different tree species.

Discussion

Our results provide insights into the importance of tree species identity in providing variety to ecosystem processes occurring on the forest floor. We recommend this methodological approach—combining analysis of litter decomposition, soil nutrient concentrations, and microbial biomass—when dealing with species‐rich forests.
Leipzig 1015 ce – a multiproxy study to reconstruct the palaeorelief of Leipzig's city centre
Authors: Grimm Ulrike , Heinrich Jürgen
Published: April 2019

The year 2015 marked the millennium of the first documentary evidence of the city of Leipzig as urbs Libzi. Inspired by this event the first digital elevation model (DEM 1015) from the palaeorelief at the time of the first settlement is modelled in two/three‐dimensions by applying geographic information system (GIS)‐technology. The article focuses on innovative multiproxy ideas to reconstruct the palaeorelief for a city centre. Thus, the topic of the project combines various scientific disciplines such as geomorphology and statistics. Qualitative data, mainly from archaeological excavations and geological drills, are linked by using GIS through surveying techniques. By applying the same method as for the DEM 1015, a recent DEM (DEM Today) is created. Furthermore, a comparison is conducted between this DEM Today and another recent DEM, which was generated with LiDAR data provided by the Staatsbetrieb Geobasisinformation und Vermessung Sachsen (GeoSN, State Operation Geobasisinformation and Surveying Saxony). A regression analysis and the descriptive comparison validate a close connection between the two recent DEMs. This supports the proposed methodology as being well suited to generate a visualization of the palaeorelief. However, models represent only a limited picture of reality. Undoubtedly, strong anthropogenic influences in the entire study area result in limiting factors which are hard to quantify. Therefore, the DEM 1015 shows the highest possible approximation of the ancient relief at the time of the first settlement. Nevertheless, the project supports further research on the landscape and settlement genesis at the study area. The DEM 1015 allows the investigation of the palaeorelief concerning geomorphological conditions during the Holocene. Furthermore, it is possible to draw inferences about how the environment has been shaped and structured by anthropogenic influences in this area over the last 1000 years. The research has the character of a case study that subsequently will open up opportunities to other areas.
Toward action comprehension for searching: Mining actionable intents in query entities
Authors: Kang Xin , Wu Yunong , Ren Fuji
Published: April 2019

Understanding search engine users' intents has been a popular study in information retrieval, which directly affects the quality of retrieved information. One of the fundamental problems in this field is to find a connection between the entity in a query and the potential intents of the users, the latter of which would further reveal important information for facilitating the users' future actions. In this article, we present a novel research method for mining the actionable intents for search users, by generating a ranked list of the potentially most informative actions based on a massive pool of action samples. We compare different search strategies and their combinations for retrieving the action pool and develop three criteria for measuring the informativeness of the selected action samples, that is, the significance of an action sample within the pool, the representativeness of an action sample for the other candidate samples, and the diverseness of an action sample with respect to the selected actions. Our experiment, based on the Action Mining (AM) query entity data set from the Actionable Knowledge Graph (AKG) task at NTCIR‐13, suggests that the proposed approach is effective in generating an informative and early‐satisfying ranking of potential actions for search users.
Should we introduce a dislike button for academic articles?
Authors: Geras Agnieszka , Siudem Grzegorz , Gagolewski Marek
Published: April 2019

There is a mutual resemblance between the behavior of users of the Stack Exchange and the dynamics of the citations accumulation process in the scientific community, which enabled us to tackle the outwardly intractable problem of assessing the impact of introducing “negative” citations. Although the most frequent reason to cite an article is to highlight the connection between the 2 publications, researchers sometimes mention an earlier work to cast a negative light. While computing citation‐based scores, for instance, the h‐index, information about the reason why an article was mentioned is neglected. Therefore, it can be questioned whether these indices describe scientific achievements accurately. In this article we shed insight into the problem of “negative” citations, analyzing data from Stack Exchange and, to draw more universal conclusions, we derive an approximation of citations scores. Here we show that the quantified influence of introducing negative citations is of lesser importance and that they could be used as an indicator of where the attention of the scientific community is allocated.
Authors' status and the perceived quality of their work: Measuring citation sentiment change in nobel articles
Authors: Yan Erjia , Chen Zheng , Li Kai
Published: April 2019

Prior research in status ordering has used numeric indicators to examine the impact of a status change on the perception of a scientist's work. This study measures the perception change directly as reflected in citation sentiment, with the attainment of a Nobel Prize in Chemistry or a Nobel Prize in Physiology or Medicine considered the status change. The article identifies 12,393 citances to 25 Nobel articles in PubMed Central and includes a control article set of 75 articles with 30,851 citances. The results show a moderate increase in citation sentiment toward Nobel articles postaward. Dynamically, for Nobel articles there is a steady sentiment increase, and a Nobel Prize seems to co‐occur with this trend. This trend, however, is not evident in the control article set.
Spectral and topological analyses of the cortical representation of the head position: Does hypnotizability matter?
Authors: Ibáñez‐Marcelo Esther , Campioni Lisa , Manzoni Diego , Santarcangelo Enrica L. , Petri Giovanni
Published: April 2019

Introduction

The aim of this exploratory study was to assess the EEG correlates of head positions (which have never been studied in humans) in participants with different psychophysiological characteristics, as encoded by their hypnotizability scores. This choice is motivated by earlier studies suggesting different processing of vestibular/neck proprioceptive information in subjects with high (highs) and low (lows) hypnotizability scores maintaining their head rotated toward one side (RH).

Methods

We analyzed EEG signals recorded in 20 highs and 19 lows in basal conditions (head forward) and during RH using spectral analysis, which captures changes localized to specific recording sites, and topological data analysis (TDA), which instead describes large‐scale differences in processing and representing sensorimotor information.

Results

Spectral analysis revealed significant differences related to head position for alpha 1, beta 2, beta 3, and gamma bands, but not to hypnotizability. TDA instead revealed global hypnotizability‐related differences in the strengths of the correlations among recording sites during RH. Significant changes were observed in lows on the left parieto‐occipital side and in highs in right frontoparietal region. Significant differences between the two groups were found in the occipital region, where changes were larger in lows than in highs.

Conclusions

This study reports finding of the EEG correlates of changes in the head posture for the first time, indicating that hypnotizability is related to the head posture representation/processing on large‐scale networks and that spectral and topological data analyses provide complementary results.
Emergency treatment of iatrogenic coronary perforation by transcatheter embolization with gelatin sponge particles—Description of technique
Authors: Kałmucki Piotr , Kuzemczak Michał , Siminiak Tomasz , Baszko Artur
Published: April 2019

Coronary artery perforation (CAP) is a rare but potentially life‐threatening complication of percutaneous coronary intervention (PCI) that requires prompt diagnosis and effective treatment. Importantly, dynamic advances in interventional cardiology reflected by the increasing percentage of more challenging PCIs performed in more complex lesions have resulted in significant changes in CAPs pattern. Herein, we describe a technique and present a case report of CAP that occurred during percutaneous recanalization of the occluded restenotic right coronary artery (RCA) successfully treated with transcatheter embolization using gelatin sponge particles prepared on‐site. The patient underwent coronary angiography with a subsequent attempt to open chronically occluded RCA. During the procedure, a guidewire was inadvertently positioned outside the arterial bed resulting in type III CAP. After unsuccessful prolonged balloon inflations as well as an anticoagulation reversal, embolization of the RCA with gelatin sponge particles as an ultima ratio treatment was performed. Sponge particles were prepared on‐site by the operator, by cutting gelatin sponge used for wound healing. The procedure resulted in a total occlusion of the RCA and significant clinical improvement. The patient did not require pericardiocentesis and was discharged from the hospital after 10 days of an uneventful postprocedural course. The described technique is an easy and effective method of guidewire‐related CAPs treatment in whom stent grafts cannot be implanted. Noteworthy, the technique can be applied in most cath labs as it utilizes a widely available gelatin sponge and does not require any specific expertise.
First use and limitations of Magmaris® bioresorbable stenting in a low birth weight infant with native aortic coarctation
Authors: Sallmon Hannes , Berger Felix , Cho Mi‐Young , Opgen‐Rhein Bernd
Published: April 2019

We, herein, report the first use of a Magmaris® magnesium‐based vascular scaffold for native aortic coarctation in a 1,980 g infant with multiple malformations. Due to the low body weight, complex illness, and clinical instability, it was decided to delay surgical correction. After insufficient results had been obtained by balloon angioplasty, Magmaris® implantation was chosen to bridge the patient to surgery by stabilizing left ventricular function and to allow for sufficient growth. Due to significant early stent restenosis and complete loss of radial force, the patient required balloon reangioplasty only 21 days after Magmaris® implantation and early surgical correction. In addition, high systemic sirolimus levels were detected 48 hr after the intervention (5 ng/mL). Although the bioresorbable scaffold was successfully used as a short‐term bridge‐to‐surgery in our case, due to significant early stent failure (loss of radial force), this approach does not seem promising for long‐term bridging of infants with aortic coarctation. In addition, the consequences of sirolimus‐induced systemic immunosuppression may further limit the applicability of Magmaris® scaffolds in infants with congenital heart disease.
Experience of associated liver partition and portal vein ligation for staged hepatectomy as first published case report in Saudi Arabia
Authors: Aljumaiah Shaikhah , Alarfaj Leenah , Almahozi Ahmad I. , Tabbal Mahmoud , Alqahtani Mohammed S.
Published: April 2019

Key Clinical Message

This case is the first published associated liver partition and portal vein ligation for staged hepatectomy procedure done successfully in Saudi Arabia, with excellent hypertrophic response to the liver remnant. This is a milestone in liver resection techniques in the country and the region.
Novel Supramolecular Photocatalyst Based on Conjugation of Cucurbit[7]uril to Non‐Metallated Porphyrin for Electrophotocatalytic Hydrogen Generation from Water Splitting
Authors: Kumar Yogesh , Patil Bhushan , Khaligh Aisan , Hadi Seyed E. , Uyar Tamer , Tuncel Dönüs
Published: April 2019

Visible‐light triggerable, stable, organic material‐based photocatalysts that can function in alkaline media without the necessity of sacrificial agent for hydrogen production are highly sought after. Here, we report a novel supramolecular photocatalyst that confers the aforementioned features. This supramolecular photocatalyst (TPP‐4CB7) is synthesized through the conjugation of monohydroxylated cucurbit(7)uril (CB7) hosts to a suitably substituted tetraphenyl porphyrin. Although TPP‐4CB7 by its own preforms as an efficient visible light triggered photocatalyst, the hydrogen production efficiency is significantly enhanced upon mixing with TiO2. The resulting nanocomposite (TPP‐CB‐TiO2@Pt) is observed to exhibit remarkable electrophotocatalytic activity under visible light and produces hydrogen (onset potential −10 mV, turn over frequency (TOF) 0.202 s−1, 24.5 mmol h−1 g−1) from water splitting without any significant degradation during four runs (5 h each) in alkaline media and in the absence of sacrificial agent.
Transition Metal Diborides: A New Type of High‐performance Electrocatalysts for Nitrogen Reduction
Authors: Qin Gangqiang , Cui Qianyi , Du Aijun , Wang Weihua , Sun Qiao
Published: April 2019

Nitrogen reduction reaction (NRR) to produce ammonia via electrochemical methods at ambient conditions is of great significance for sustainable development of energy. However, searching for the highly efficient catalysts is still a great challenge. In this study, we report a type of novel electrocatalysts named transition metal diborides (TMB2) with a high‐activity, ‐selectivity, ‐conductivity and super‐stability for NRR. We have computationally calculated the binding energies of N2 and H2O on three TMB2 (TM=V, Nb and Ti), and the results show that all the three TMB2 can selectively adsorb and significantly activate N2. Further investigations of the NRR on the three TMB2 with two possible mechanisms, named associative Heyrovsky mechanism (AHM) and dissociative Heyrovsky mechanism (DHM), suggest that the VB2 is the most efficient electrocatalyst among them with a low limiting reaction energy of just 0.28 eV. Moreover, our calculated results have proved that the TMB2 used as electrocatalysts are highly recyclable as the binding energies of N2 on them are much larger than those of NH3. Consequently, our study demonstrates for the first time the mechanisms of NRR on TMB2, which offers a new type of electrocatalysts with high efficiency and durability for sustainable NH3 production.
Gold(I)‐Catalyzed Intramolecular C(sp3)−H Insertion by Decarbenation of Cycloheptatrienes
Authors: Yin Xiang , Zuccarello Giuseppe , García‐Morales Cristina , Echavarren Antonio M.
Published: April 2019

A novel synthesis of indanes and dihydronaphtalenes based on the intramolecular insertion into C(sp3)−H bonds of gold(I) carbenes generated by retro‐Buchner reaction (decarbenation) has been developed. Deuterium‐labeling and kinetic isotope effect experiments, DFT calculations, and generation of the proposed carbene intermediate from a well‐characterized gold(I) carbenoid support the involvement of a three‐center concerted mechanism for the C(sp3)−H functionalization process.
The role of cancer in marijuana and prescription opioid use in the United States: A population‐based analysis from 2005 to 2014
Authors: Tringale Kathryn R. , Huynh‐Le Minh‐Phuong , Salans Mia , Marshall Deborah C. , Shi Yuyan , Hattangadi‐Gluth Jona A.
Published: April 2019

Background

For patients with cancer, marijuana may be an alternative to prescription opioid analgesics. This study analyzed self‐reported marijuana and prescription opioid use among people with cancer over a 10‐year time period.

Methods

Population‐based data sets from the US National Health and Nutrition Examination Survey between 2005 and 2014 were compiled for respondents aged 20 to 60 years. Respondents with cancer and respondents without cancer were propensity score–matched (1:2) by demographics to compare substance use. Outcomes included current marijuana and prescription opioid use (ie, within the past 30 days). Pearson chi‐square tests and logistic regressions were performed; a 2‐tailed P value < .05 was significant.

Results

There were 19,604 respondents, and 826 people with cancer were matched to 1652 controls. Among the respondents with cancer, 40.3% used marijuana within the past year, and 8.7% used it currently. Respondents with cancer were significantly more likely to use prescription opioids (odds ratio [OR], 2.43; 95% CI, 1.68‐3.57; P < .001). Cancer was not associated with current marijuana use in a multivariable conditional logistic regression but was associated with current opioid use (OR, 1.82; 95% CI, 1.17‐2.82; P = .008). Among all survey respondents, the odds of marijuana use significantly increased over time (OR, 1.05; 95% CI, 1.01‐1.10; P = .012), whereas the odds of opioid use did not significantly change. There were no significant differences in the longitudinal odds of marijuana or opioid use over time between respondents with a cancer diagnosis and those without one.

Conclusions

This population‐based analysis revealed a considerable proportion of respondents with cancer self‐reporting marijuana use (40.3%) and a significantly higher prevalence of opioid use among respondents with cancer. In the midst of an opioid epidemic, an evolving political landscape, and new developments in oncology, quantifying the prevalence of opioid and marijuana use in the US population, especially among patients with cancer, is particularly relevant. Although opioid use did not significantly change from 2005 to 2014 among all respondents, marijuana use did increase, likely reflecting increased availability and legislative changes. A cancer diagnosis did not significantly affect longitudinal opioid or marijuana use.
Graph partition–based data and task co‐scheduling of scientific workflow in geo‐distributed datacenters
Authors: Zhang Jinghui , Chen Jian , Zhan Jun , Jin Jiahui , Song Aibo
Published: April 2019

Most large‐scale scientific workflows take place in multiple collaborative datacenters for access to community‐wide resources, while adhering to each datacenter's non‐uniform resource limits. However, moving both initial input datasets with predetermined locations and intermediate datasets needing placement decisions across geo‐distributed datacenters hinders efficient execution of large‐scale data‐intensive scientific workflows. Thus, scientific workflow's data and task co‐scheduling deal with situations such as pre‐placed initial input datasets, placement of intermediate datasets and each datacenter's non‐uniform computation and storage constraint, while minimizing the cross‐datacenter data transfer. Since this scheduling problem is known to be NP‐hard, here, we propose a novel approach, based on the multilevel graph coarsening and uncoarsening framework, together with a specialized hybrid genetic algorithm having distinctive graph partition driven features of repair and local improvement, for scheduling data‐intensive scientific workflows in geo‐distributed datacenters and optimizing the cross‐datacenter data transfer volume. Extensive simulations, based on four real‐world workflow traces, show that our algorithm significantly reduces the overall geo‐distributed data transfer and demonstrate its effectiveness.
The Missing Reality of Real Life in Real‐World Evidence
Authors: Okun Sally
Published: April 2019

Reality is defined as a real event, a real thing, or state of affairs. Reality exists in the places where we live our daily lives, in the relationships we have with others, and in our experiences, circumstances, and situations that occur across the lifespan. As the everydayness of our lives becomes increasingly digitized, data generated from the reality that exists outside of our healthcare encounters holds much promise to fill recognized gaps in real‐world evidence (RWE). In the past decade, many factors have converged to uniquely position person‐generated data for use in health care delivery, payment reform, product development, and regulatory decision making. Yet, real‐world data will fall short of its promise to fill gaps in RWE if what we learn does not reflect the real lives of real people from across the spectrum of social, economic, and cultural experiences.
Predictive Analysis of First Abbreviated New Drug Application Submission for New Chemical Entities Based on Machine Learning Methodology
Authors: Hu Meng , Babiskin Andrew , Wittayanukorn Saranrat , Schick Andreas , Rosenberg Matthew , Gong Xiajing , Kim Myong‐Jin , Zhang Lei , Lionberger Robert , Zhao Liang
Published: April 2019

Generic drug products are approved by theUSFood and Drug Administration (FDA) through Abbreviated New Drug Applications (ANDAs). TheANDAreview and approval involves multiple offices across theFDA. ForecastingANDAsubmissions can critically inform resource allocation and workload management. In this work, we used machine learning (ML) methodologies to predict the time to firstANDAsubmissions referencing new chemical entities following their earliest lawfulANDAsubmission dates. Drug product information, regulatory factors, and pharmacoeconomic factors were used as modeling inputs. The random survival forestMLmethod, as well as the conventional Cox model, was used forANDAsubmission predictions. TheMLmethod outperformed the conventional Cox regression model in predictive performance that was adequately assessed by both internal and external validations. In conclusion, it can potentially serve as an effective forecasting tool for strategic workload and research planning for generic applications.
Further modifications of 1H‐pyrrolo[2,3‐b]pyridine derivatives as inhibitors of human neutrophil elastase
Authors: Giovannoni Maria P. , Cantini Niccolò , Crocetti Letizia , Guerrini Gabriella , Iacovone Antonella , Schepetkin Igor A. , Vergelli Claudia , Khlebnikov Andrei I. , Quinn Mark T.
Published: April 2019

Human neutrophil elastase (HNE) is a potent protease that plays an important physiological role in many processes and is considered to be a multifunctional enzyme. HNE is also involved in a variety of pathologies affecting the respiratory system. Thus, compounds able to inhibit HNE proteolytic activity could represent effective therapeutics. We present here a new series of pyrrolo[2,3‐b]pyridine derivatives of our previously reported potent HNE inhibitors. Our results show that position 2 of the pyrrolo[2,3‐b]pyridine scaffold must be unsubstituted, and modifications of this position resulted in loss of HNE inhibitory activity. Conversely, the introduction of certain substituents at position 5 was tolerated, with retention of HNE inhibitory activity (IC50 = 15–51 nM) after most substitutions, indicating that bulky and/or lipophilic substituents at position 5 probably interact with the large pocket of the enzyme site and allow Michaelis complex formation. The possibility of Michaelis complex formation between Ser195 and the ligand carbonyl group was assessed by molecular docking, and it was found that highly active HNE inhibitors are characterized by geometries favorable for Michaelis complex formation and by relatively short lengths of the proton transfer channel via the catalytic triad.
Development of self‐feeding behavior in children with typical development and those with arm movement impairments
Authors: Babik Iryna , Movva Naimisha , Baraldi Cunha Andrea , Lobo Michele A.
Published: April 2019

Self‐feeding is a critical self‐care skill that unites motor abilities (e.g., grasping and transporting utensils/food to the mouth) and cognitive abilities (e.g., using a spoon as a tool). This cross‐sectional study assessed self‐feeding behavior in a sample of 38 children with typical development (TD) and compared it between 18 of those children and 18 age‐ and sex‐matched peers with arm movement impairments (MI). Children were assessed with a bowl of cereal and two spoons presented in four different orientations. Results suggested that children with MI were less successful than their TD peers in both motor aspects (e.g., grasp and transport of food and utensils) and cognitive aspects (correct grasp across spoon orientations) of self‐feeding. Novel findings highlight: (a) interesting differences in visual attention between children with TD or MI; (b) the role of hand‐preference in the correct grasping of the spoon(s) and effective self‐feeding; (c) the positive relation between motor and cognitive aspects of self‐feeding; and (d) that greater variability of self‐feeding behavior relates to improved performance of cognitive aspects of the task. These results identify challenging components of self‐feeding for children with MI that should be targeted by early interventions and assistive technologies aimed at increasing self‐feeding independence.
Song Feature Specific Analysis of Isolate Song Reveals Interspecific Variation in Learned Components
Authors: Love Jay , Hoepfner Amanda , Goller Franz
Published: April 2019

Studies of avian vocal development without exposure to conspecific song have been conducted in many passerine species, and the resultant isolate song is often interpreted to represent an expression of the genetic code for conspecific song. There is wide recognition that vocal learning exists in oscine songbirds, but vocal learning has only been thoroughly investigated in a few model species, resulting in a narrow view of birdsong learning. By extracting acoustic signals from published spectrograms, we have reexamined the findings of isolate studies with a universally applicable semi‐automated quantitative analysis regimen. When song features were analyzed in light of three different production aspects (respiratory, syringeal, and central programming of sequence), all three show marked interspecific variability in how close isolate song features are to normal. This implies that song learning mechanisms are more variable than is commonly recognized. Our results suggest that the interspecific variation shows no readily observable pattern reflecting phylogeny, which has implications for understanding the mechanisms behind the evolution of avian vocal communication. We emphasize that song learning in passerines provides an excellent opportunity to investigate the evolution of a complex, plastic trait from a phylogenetic perspective.
Light detection and ranging explains diversity of plants, fungi, lichens, and bryophytes across multiple habitats and large geographic extent
Authors: Moeslund Jesper Erenskjold , Zlinszky András , Ejrnæs Rasmus , Brunbjerg Ane Kirstine , Bøcher Peder Klith , Svenning Jens‐Christian , Normand Signe
Published: April 2019

Effective planning and nature management require spatially accurate and comprehensive measures of the factors important for biodiversity. Light detection and ranging (LIDAR) can provide exactly this, and is therefore a promising technology to support future nature management and related applications. However, until now studies evaluating the potential of LIDAR for this field have been highly limited in scope. Here, we assess the potential of LIDAR to estimate the local diversity of four species groups in multiple habitat types, from open grasslands and meadows over shrubland to forests and across a large area (~43,000 km2), providing a crucial step toward enabling the application of LIDAR in practice, planning, and policy‐making. We assessed the relationships between the species richness of macrofungi, lichens, bryophytes, and plants, respectively, and 25 LIDAR‐based measures related to potential abiotic and biotic diversity drivers. We used negative binomial generalized linear modeling to construct 19 different candidate models for each species group, and leave‐one‐region‐out cross validation to select the best models. These best models explained 49%, 31%, 32%, and 28% of the variation in species richness (R2) for macrofungi, lichens, bryophytes, and plants, respectively. Three LIDAR measures, terrain slope, shrub layer height and variation in local heat load, were important and positively related to the richness in three of the four species groups. For at least one of the species groups, four other LIDAR measures, shrub layer density, medium‐tree layer density, and variations in point amplitude and in relative biomass, were among the three most important. Generally, LIDAR measures exhibited strong associations to the biotic environment, and to some abiotic factors, but were poor measures of spatial landscape and temporal habitat continuity. In conclusion, we showed how well LIDAR alone can predict the local biodiversity across habitats. We also showed that several LIDAR measures are highly correlated to important biodiversity drivers, which are notoriously hard to measure in the field. This opens up hitherto unseen possibilities for using LIDAR for cost‐effective monitoring and management of local biodiversity across species groups and habitat types even over large areas.
Fine‐scale genetic structure and flowering output of the seagrass Enhalus acoroides undergoing disturbance
Authors: Yu Shuo , Wu Yunchao , Serrao Ester A. , Zhang Jingping , Jiang Zhijian , Huang Chi , Cui Lijun , Thorhaug Anitra , Huang Xiaoping
Published: April 2019

Seagrass are under great stress in the tropical coast of Asia, where Enhalus acoroides is frequently the dominant species with a large food web. Here, we investigate the question of the fine‐scale genetic structure of this ecologically important foundation species, subject to severe anthropogenic disturbance in China. The genetic structure will illuminate potential mechanisms for population dynamics and sustainability, which are critical for preservation of biodiversity and for decision‐making in management and restoration. We evaluated the fine‐scale spatial genetic structure (SGS) and flowering output of E. acoroides, and indirectly estimated the relative importance of sexual versus asexual reproduction for population persistence using spatial autocorrelation analysis. Results reveal high clonal diversity for this species, as predicted from its high sexual reproduction output. The stronger Sp statistic at the ramet‐level compared with genet‐level indicates that clonality increases the SGS pattern for E. acoroides. Significant SGS at the genet‐level may be explained by the aggregated dispersal of seed/pollen cohorts. The estimated gene dispersal variance suggests that dispersal mediated by sexual reproduction is more important than clonal growth in this study area. The ongoing anthropogenic disturbance will negatively affect the mating pattern and the SGS patterns in the future due to massive death of shoots, and less frequency of sexual reproduction.
The missing fire: quantifying human exclusion of wildfire in Pacific Northwest forests, USA
Authors: Haugo Ryan D. , Kellogg Bryce S. , Cansler C. Alina , Kolden Crystal A. , Kemp Kerry B. , Robertson James C. , Metlen Kerry L. , Vaillant Nicole M. , Restaino Christina M.
Published: April 2019

Western U.S. wildfire area burned has increased dramatically over the last half‐century. How contemporary extent and severity of wildfires compare to the pre‐settlement patterns to which ecosystems are adapted is debated. We compared large wildfires in Pacific Northwest forests from 1984 to 2015 to modeled historic fire regimes. Despite late twentieth‐century increases in area burned, we show that Pacific Northwest forests have experienced an order of magnitude less fire over 32 yr than expected under historic fire regimes. Within fires that have burned, severity distributions are disconnected from historical references. From 1984 to 2015, 1.6 M ha burned; this is 13.3–18.9 M ha less than expected. Deficits were greatest in dry forest ecosystems adapted to frequent, low‐severity fire, where 7.2–10.3 M ha of low‐severity fire was missing, compared to a 0.2–1.1 M ha deficit of high‐severity fire. When these dry forests do burn, we observed that 36% burned with high‐severity compared to 6–9% historically. We found smaller fire deficits, 0.3–0.6 M ha, within forest ecosystems adapted to infrequent, high‐severity fire. However, we also acknowledge inherent limitations in evaluating contemporary fire regimes in ecosystems which historically burned infrequently and for which fires were highly episodic. The magnitude of contemporary fire deficits and disconnect in burn severity compared to historic fire regimes have important implications for climate change adaptation. Within forests characterized by low‐ and mixed‐severity historic fire regimes, simply increasing wildfire extent while maintaining current trends in burn severity threatens ecosystem resilience and will potentially drive undesirable ecosystem transformations. Restoring natural fire regimes requires management that facilitates much more low‐ and moderate‐severity fire.