bluuebunny/crossref_metadata_2025 huggingface dataset:
Solvent‐Free Aerobic Oxidation of Ethylbenzene Promoted by NHPI/Co(II) Catalytic System: The Key Role of Ionic Liquids
Authors: Dobras Gabriela , Sitko Magdalena , Petroselli Manuel , Caruso Manfredi , Cametti Massimo , Punta Carlo , Orlińska Beata
Published: October 2019

The synergistic action between imidazolium based ionic liquid (IL) [bmim][OcOSO3] and Co(II)/N‐hydroxyphthalimide (NHPI) systems in the catalytic aerobic oxidation of ethylbenzene under solvent‐free conditions have been here demonstrated by reaching a 35 % conversion with 83 % of selectivity in acetophenone at 80 °C. This highly performing catalytic system have been selected after screening several different IL and Co(II) salt combinations, and making sure that the complete solubilization of the polar NHPI in the lipophilic medium, without thus requiring any chemical modification of the organic catalyst, could be attained. This solubilizing effect can be ascribed to a direct interaction between [bmim][OcOSO3] IL and NHPI as revealed by a detailed NMR investigation which also allowed to exclude the formation of higher IL aggregates in the form of micelles or vesicles.
PROTOCOL: Health, social care and technological interventions to improve functional ability of older adults: Evidence and gap map
Authors: Welch Vivian , Howe Tracey E. , Marcus Sue , Mathew Christine M. , Sadana Ritu , Rogers Morwenna , Sheehy Lisa , Borg Johan , Pottie Kevin , Thompson‐Coon Joanna , Lyddiatt Anne , Kristjansson Elizabeth , Nickerson Jason W. , Walker Peter , Tanuseputro Peter , Shea Beverly , Sveistrup Heidi , Babelmorad Panteha , Zhang Wei
Published: October 2019

This is a protocol for a Campbell Evidence and Gap Map. The objectives are to identify and assess the available evidence on health, social care and technological interventions to improve functional ability among older adults.
Own or dam’s genotype? Classical colony breeding may bias spontaneous and stress‐challenged activity in DAT‐mutant rats
Authors: Mariano Stefano , Pardo Marta , Buccheri Clelia , Illiano Placido , Adinolfi Annalisa , Lo Russo Sara Lucia M. , Alleva Enrico , Carbone Cristiana , Adriani Walter
Published: October 2019

There is considerable interest in understanding what makes an individual vulnerable or resilient to the deleterious effects of stressful events. From candidate genes, dopamine (DA) and dopamine transporter (DAT) have been linked to anxiety, depression, and post‐traumatic stress disorder. We investigated role of DAT using the new DAT heterozygous (DAT‐HET) and homozygous mutant (DAT‐KO) rat models of hyperdopaminergia. We studied the impact of two breeding conditions in spontaneous locomotor behavior of female rats. The classical colony, through mating DAT‐HET males × DAT‐HET females (breeding HET–HET), was used. A second WT colony was derived and maintained (breeding WT–WT). Additionally, a subgroup of rats was bred through mating DAT‐KO males × WT females (atypical HET, breeding KO–WT). We studied the effects of genotype and its interaction with maternal care (depending by breeding condition). HET–HET breeding led to reduced activity in HET females compared to WT rats (from WT–WT breeding). However, HET females from KO–WT breeding did not differ so much from WT rats (WT–WT breeding). The maternal‐care impact was then confirmed: HET mothers (breeding HET–HET) showed reduced liking/grooming of pups and increased digging away from nest, compared to WT mothers (breeding WT–WT). In their female offspring (HET, breeding HET–HET vs. WT, breeding WT–WT), isolation plus wet bedding induced higher and more persistent impact on activity of HET rats, even when the stressor was removed. Our results highlight the importance of epigenetic factors (e.g., maternal care) in responses to stress expressed by offspring at adulthood, quite independently of genotype. DAT hypofunction could determinate vulnerability to stressful agents via altered maternal care.
Why Is Tetradentate Coordination Essential for Potential Copper Homeostasis Regulators in Alzheimer's Disease?
Authors: Li Youzhi , Nguyen Michel , Baudoin Morgane , Vendier Laure , Liu Yan , Robert Anne , Meunier Bernard
Published: October 2019

Research of effective drugs against Alzheimer's disease (AD) is currently one of the most challenging topics in medicinal chemistry. Despite the documented detrimental effect of the disruption of copper ion homeostasis in AD, this potential pharmacological target has been weakly explored. The design of chelators as drug candidates for copper regulation in AD brain should meet critical coordination chemistry requirements, in addition to requested biological parameters (membrane crossing, activity, …). Among the various possibilities offered by the diversity of metal ligands, we found that N4‐tetradentate 8‐aminoquinoline ligands able to generate stricly square planar Cu(II) complexes, are the most suitable for the transfer of copper from metal‐amyloids to metal‐carrier proteins, and are able to inhibit the catalytic reduction of dioxygen produced by copper‐loaded amyloids exposed to a biological reductant. In vivo, such tetradentate ligands are able to inhibit the loss of episodic memory in non‐transgenic amyloid‐impaired mice.
Coating of Rh/Mg/Al Hydrotalcite‐Like Materials on FeCrAl Fibers by Electrodeposition and Application for Syngas Production
Authors: Ho Phuoc Hoang , Ospitali Francesca , Sanghez de Luna Giancosimo , Fornasari Giuseppe , Vaccari Angelo , Benito Patricia
Published: October 2019

Metallic fibers are promising supports to develop structured catalysts due to their high thermal stability, mechanical strength and geometrical surface area. However, such a high surface area is usually associated with small individual fibers and tiny pores, leading to pore blockage during coating process. Herein, electrodeposition is investigated as a simple way to deposit Rh/Mg/Al hydrotalcite‐like materials on FeCrAl fibers. Several trials are performed to optimize the synthesis conditions in the electro‐base generation method, using nitrates as precursors, focusing on total metal nitrate concentration and synthesis time. Combinations of both parameters are screened to find a balance between coating quality and loading. A low electrolyte concentration (e.g., <0.06 m) requires longer synthesis time to obtain an appropriate loading without pore blockage, whereas a high concentration (e.g., 0.10 m) may cause the deposition of undesired Rh0 particles. Tailoring the solid loading and decreasing the cracks in electrodeposited samples results in a quite stable coating during a further thermal treatment step to transform hydrotalcite‐like compounds into oxide‐ and spinel‐based catalysts. All tested catalysts are active in the catalytic partial oxidation of methane at gas hourly space velocity (GHSV) of 351 000 h−1, although their catalytic activities significantly depend on the coating properties.
Acute metabolic effects of tonic‐clonic seizures
Authors: Nass Robert D. , Zur Berndt , Elger Christian E. , Holdenrieder Stefan , Surges Rainer
Published: October 2019

Objective

Tonic‐clonic seizures (TCS) lead to metabolic stress and changes in related blood markers. Such markers may indicate harmful conditions but can also help to identify TCS as a cause of transient loss of consciousness. In this study, we hypothesized that the alterations of circulating markers of metabolic stress depend on the clinical features of TCS.

Methods

Ninety‐one adults undergoing video‐EEG monitoring participated in this prospective study. Electrolytes, renal parameters, creatine kinase (CK), prolactin (PRL), lactate, ammonia, glucose, and other parameters were measured at inclusion and different time points after TCS.

Results

A total of 39 TCS were recorded in 32 patients (six generalized onset tonic‐clonic seizures in 6 and 33 focal to bilateral tonic‐clonic seizures in 26 patients). Shortly after TCS, mean lactate, ammonia, and PRL levels were significantly increased 8.7‐fold, 2.6‐fold, and 5.1‐fold, respectively, with levels of more than twofold above the upper limits of the normal (ULN) in 90%, 71%, and 70% of the TCS and returned to baseline levels within 2 hours. Only postictal lactate levels were significantly correlated with the total duration of the tonic‐clonic phase. In contrast, CK elevations above the ULN were found in three TCS (~10%) only with a peak after 48 hours. Immediately after the TCS, hyperphosphatemia occurred in one third of the patients, whereas hypophosphatemia was observed in one third 2 hours later. TCS led to subtle but significant alterations of other electrolytes, creatinine, and uric acid, whereas glucose levels were moderately increased.

Significance

Lactate is a robust metabolic marker of TCS with elevations found in ~90% of cases within 30 minutes after seizure termination, whereas ammonia rises in ~ 70%, similarly to PRL. Phosphate levels show an early increase and a decrease 2 hours after TCS in a third of patients. CK elevations are rare after video‐EEG‐documented TCS, challenging its value as a diagnostic marker.
Quantitative fire risk assessment of cotton storage and a criticality analysis of risk control strategies
Authors: Ding Long , Ji Jie , Khan Faisal , Li Xiaohua , Wan Shaoan
Published: October 2019

Although fires can easily occur during cotton storage, research on cotton storage fire risk assessment is limited. This work focuses on cotton storage fire risk assessment and investigates the criticality of risk control strategies. Bow‐tie and Bayesian network models are established to investigate the relationships among accident causes, safety barriers, and possible consequences. The results show that the first safety barrier (detection and extinguishment before fire brigade arrival) is more controllable and more effective than the second safety barrier (fire brigade). Based on the collected probability data, the probability and risk of a common accident are higher than those of a large accident and severe accident when safety barriers succeed; when the first safety barrier fails, the probabilities and risks of large and severe accidents increase by more than 2000 times. The criticality of safety measures is investigated by analysing their structural importance, probability importance, and critical importance. The critical events for fire occurrence are an open flame and sparks during storage, and the critical events for detection and extinguishment before fire brigade arrival are watchkeeper monitoring, regular patrolling, and automatic fire alarm systems. For cotton storage safety, this work and its outcomes are used to support the decision‐making of fire risk prevention and control.
Assessing the impact of relative permeability and capillary heterogeneity on Darcy flow modelling of CO2 storage in Utsira Formation
Authors: Onoja Michael U. , Shariatipour Seyed M.
Published: October 2019

Predicting CO2 plume migration is an important aspect for the geological sequestration of CO2. In the absence of experimental data, the storage performance of CO2 geo‐storage can be assessed through the dynamic modelling of the fluid flow and transport properties of the rock‐fluid system using empirical formulations. Using the van Genuchten empirical model, this study documents a Darcy flow modelling approach to investigate different aspects of CO2 drainage in a sandstone formation with interbedded argillaceous (i.e. mudstone) units. The numerical simulation is based on the Sleipner gas field storage unit where several thin argillite layers occur within the sandstone of the Utsira Formation. With respect to forward modelling simulations that have used Sleipner Formation as a case study, it is noted that previous attempts to numerically calibrate the CO2 plume migration to time‐lapse seismic dataset using software governed by Darcy flow physics achieved poor results. In this study, CO2‐brine buoyant displacement pattern is simulated using the ECLIPSE ‘black oil’ simulator within a two‐dimensional axisymmetric geometry and a three‐dimensional Cartesian coordinate system. This investigation focussed on two key parameters affecting CO2 migration mobility, namely relative permeability and capillary forces. Examination of these parameters indicate that for the gravity current of CO2 transiting through a heterogeneous siliciclastic formation, the local capillary forces in geologic units, such as mudstone and sandstones, and the relative permeability to the invading fluid control the mass of CO2 that breaches and percolates through each unit, respectively. In numerical analysis, these processes influence the evaluation of structural and residual trapping mechanisms. Consequently, the inclusion of heterogeneities in capillary pressure and relative permeability functions, where and when applicable, advances a Darcy modelling approach to history matching and forecasting of reservoir performance. Results indicate that there is a scope for a revision of the basic premise for modelling flow properties in the interbedded mudstones and the top sand wedge at the Sleipner Field when using Darcy flow simulators. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
Liver‐Targeted Angiotensin Converting Enzyme 2 Therapy Inhibits Chronic Biliary Fibrosis in Multiple Drug‐Resistant Gene 2‐Knockout Mice
Authors: Rajapaksha Indu G. , Gunarathne Lakmie S. , Asadi Khashayar , Cunningham Sharon C. , Sharland Alexandra , Alexander Ian E. , Angus Peter W. , Herath Chandana B.
Published: October 2019

There is a large unmet need for effective therapies for cholestatic disorders, including primary sclerosing cholangitis (PSC), a disease that commonly results in liver failure. Angiotensin (Ang) II of the renin Ang system (RAS) is a potent profibrotic peptide, and Ang converting enzyme 2 (ACE2) of the alternate RAS breaks down Ang II to antifibrotic peptide Ang‐(1‐7). In the present study, we investigated long‐term effects of ACE2 delivered by an adeno‐associated viral vector and short‐term effects of Ang‐(1‐7) peptide in multiple drug‐resistant gene 2‐knockout (Mdr2‐KO) mice. These mice develop progressive biliary fibrosis with pathologic features closely resembling those observed in PSC. A single intraperitoneal injection of ACE2 therapy markedly reduced liver injury (P < 0.05) and biliary fibrosis (P < 0.01) at both established (3‐6 months of age) and advanced (7‐9 months of age) disease compared to control vector‐injected Mdr2‐KO mice. This was accompanied by increased hepatic Ang‐(1‐7) levels (P < 0.05) with concomitant reduction in hepatic Ang II levels (P < 0.05) compared to controls. Moreover, Ang‐(1‐7) peptide infusion improved liver injury (P < 0.05) and biliary fibrosis (P < 0.0001) compared to saline‐infused disease controls. The therapeutic effects of both ACE2 therapy and Ang‐(1‐7) infusion were associated with significant (P < 0.01) reduction in hepatic stellate cell (HSC) activation and collagen expression. While ACE2 therapy prevented the loss of epithelial characteristics of hepatocytes and/or cholangiocytes in vivo, Ang‐(1‐7) prevented transdifferentiation of human cholangiocytes (H69 cells) into the collagen‐secreting myofibroblastic phenotype in vitro. We showed that an increased ratio of hepatic Ang‐(1‐7) to Ang II levels by ACE2 therapy results in the inhibition of HSC activation and biliary fibrosis. Conclusion: ACE2 therapy has the potential to treat patients with biliary diseases, such as PSC.
Neighborhood effect and obesity in adult survivors of pediatric cancer: A report from the St. Jude lifetime cohort study
Authors: Howell Carrie R. , Wilson Carmen L. , Yasui Yutaka , Srivastava Deo K. , Lu Wei , Bjornard Kari L. , Ehrhardt Matthew J. , Brinkman Tara M. , Chemaitilly Wassim , Hodges Jason R. , Lanctot Jennifer Q. , Robison Leslie L. , Hudson Melissa M. , Ness Kirsten K.
Published: October 2019

Survivors of childhood cancer are at risk for obesity, a condition potentially modifiable if dietary intake and physical activity are optimized. These health behaviors are likely influenced by neighborhood of residence, a determinant of access to healthy, affordable food and safe and easy exercise opportunities. We examined associations between neighborhood level factors and obesity among survivors in the St. Jude Lifetime cohort and community comparison group members. Persons with residential addresses available for geocoding were eligible for analysis (n = 2,265, mean age 32.5 [SD 9.1] years, 46% female, 85% white). Survivors completed questionnaires regarding individual behaviors; percent body fat was assessed via dual X‐ray absorptiometry (obesity: ≥25% males; ≥35% females); neighborhood effect was characterized using census tract of residence (e.g., neighborhood socioeconomic status [SES], rurality). Structural equation modeling was used to determine associations between neighborhood effect, physical activity, diet, smoking, treatment exposures and obesity. Obese survivors (n = 1,420, 62.7%) were more likely to live in neighborhoods with lower SES (RR: 1.23, 95% CI: 1.10–1.38) and rural areas (RR: 1.22, 95% CI: 1.07–1.39) compared to survivors with normal percent body fat. Resource‐poor neighborhoods (standardized effect: 0.06, p < 0.001) and cranial radiation (0.16, p < 0.001) had direct effects on percent body fat. Associations between neighborhood of residence and percent body fat were increased (0.01, p = 0.04) among individuals with a poor diet. Neighborhoods where survivors reside as an adult is associated with obesity. Interventions targeting survivors should incorporate strategies that address environmental influences on obesity.
Combining Chemistry, Materials Science, Inspiration from Nature, and Serendipity to Develop Stimuli‐Responsive Polymeric Materials
Authors: Rowan Stuart J. , Weder Christoph
Published: October 2019

Neither of us can remember people talking about stimuli‐responsive polymers when we were students. Even though this was still in the last century, it was almost 70 years after Staudinger's seminal paper “Über Polymerisation”![1] By the time we entered graduate school in the early 1990 s, the first papers on polymer light emitting diodes appeared, while research on electrically conducting, nonlinear optical, and other “functional” polymers was already in full swing. Looking back, there were some stimuli‐responsive materials that were around at the time,[2–6] but it took the better part of the last 30 years until the field had developed into what we think is one of the most vibrant areas of polymer science.[8–12] Before the potential usefulness of this class of materials was recognized, researchers were focused on developing polymeric materials that would not respond to external influences, and in fact maintain (in particular) their mechanical properties in a wide range of environments. This has led to the development of many environmentally robust polymers, which have come to impact basically every aspect of our daily life. Ironically, this long‐sought stability now comes back to haunt us in the form of plastic pollution, but this is another story. The concept of materials that adapt their properties in response to changing environmental conditions might appear like a complete reversal with respect to the original goals of creating stable materials. However, eventually a) it was recognized that materials that respond to a specific stimulus in a predictable and useful manner would significantly broaden the potential usefulness of polymers, and b) the field of polymer science had developed to the point where the rational design, preparation, and characterization of such materials became possible. The expression ‘stimuli‐responsive polymer’ had been first used in the 1980’s, however its use really only gained popularity a few decades later. In the early days, terms such as environmentally‐sensitive or environmentally‐responsive polymers, stimuli‐reversible or stimuli‐sensitive polymers, or polymers with phase transitions have also been used.
A new compilation of globally gridded night‐time marine air temperatures: The UAHNMATv1 dataset
Authors: Junod Robert A. , Christy John R.
Published: October 2019

Near‐surface air temperature over the oceans is a relatively unused parameter in understanding the current state of climate, but is useful as an independent temperature metric over the oceans and serves as a geographical and physical complement to near‐surface air temperature over land. Although one complete version of this dataset exists (HadNMAT2), it has been strongly recommended that various groups generate climate records independently, which is one motivation here. This University of Alabama in Huntsville (UAH) study began with the construction of monthly night‐time marine air temperature (UAHNMATv1) values from the early‐twentieth century through to the present era using air temperatures on ships. Data from the International Comprehensive Ocean–Atmosphere Data Set (ICOADS) Release 3.0 (R3.0) were used to compile a complete time series of gridded UAHNMATv1. The observations required detailed homogenization procedures since there are many biases to account for such as increasing ship height and changing observing practices. The UAHNMATv1 dataset, once homogenized, is gridded to 5.0° monthly anomalies from 1900 to 2018. This study will present results which quantify the variability and trends and compare to current trends of other related datasets that include HadNMAT2 and sea‐surface temperatures (HadISST & ERSSTv4). This new dataset has broad overall agreement both globally and regionally with HadNMAT2, HadISST, and ERSSTv4 datasets.
Human Milk Retains Important Immunologic Properties After Defatting
Authors: Jackson Brittany Anne , Gregg Brigid Ellen , Tutor Sara Denise , Bermick Jennifer Rachelle , Stanley Kate Peterson
Published: October 2019

Background

In neonatal chylothorax, thoracic lymphatic drainage is ineffective. The resultant effusions often require drainage, leading to a loss of immune components. Affected infants can be managed with formula or defatted human milk feedings low in long‐chain triglycerides to decrease lymph production. We hypothesized that there is no significant difference in the immunological profile or antibacterial effect of full‐fat and defatted human milk.

Methods

Milk from lactating mothers was divided into 1 aliquot that was defatted via centrifugation with the full‐fat aliquot as control. Macronutrient content was analyzed with mid‐infrared spectroscopy. Flow cytometry was used to measure immune cell populations. Lactoferrin, lysozyme, immunoglobulin (Ig)A, and IgG values were determined using enzyme‐linked immunosorbent assay. The antibacterial properties were determined by inoculating paired full‐fat and defatted milk samples with Escherichia coli or Streptococcus pneumoniae bacteria and performing colony counts.

Results

Compared with full‐fat milk, defatted milk demonstrated decreased total energy and fat and increased carbohydrate concentrations. Defatted milk demonstrated a significant decrease in all immune cell populations. There was no difference in IgA, IgG, lysozyme, or lactoferrin concentrations. Both aliquots demonstrated equivalent growth inhibition of E. coli and S. pneumoniae.

Conclusions

Unexpectedly, defatted human milk contained significantly less leukocytes than full‐fat milk. IgA, IgG, lysozyme, and lactoferrin concentrations were preserved. The ability of defatted milk to inhibit bacterial growth was unaffected, suggesting that the antibacterial benefits of human milk remain after the defatting process. Further investigation regarding the clinical effect of leukocyte loss in defatted milk is warranted.
Mastiha (Pistacia lentiscus) Improves Gut Microbiota Diversity, Hepatic Steatosis, and Disease Activity in a Biopsy‐Confirmed Mouse Model of Advanced Non‐Alcoholic Steatohepatitis and Fibrosis
Authors: Kannt Aimo , Papada Efstathia , Kammermeier Claire , D'Auria Giuseppe , Jiménez‐Hernández Nuria , Stephan Martin , Schwahn Uwe , Madsen Andreas Nygaard , Østergaard Mette Viberg , Dedoussis George , Francino M. Pilar ,   for the MAST4HEALTH consortium
Published: October 2019

Scope

As a result of the obesity epidemic, the prevalence of non‐alcoholic steatohepatitis (NASH) is increasing. No drug is approved for the treatment of NASH. In this study, the effect of a nutritional supplement, Mastiha or Chios mastic gum, on metabolic and histological parameters and on the gut microbiome in mice with NASH and fibrosis was investigated.

Methods and results

Advanced NASH was induced by feeding C57BL/6J mice a diet rich in fat, sucrose, and cholesterol for 41 weeks. After randomization, animals received the NASH‐inducing diet with or without 0.2% (w/w) Mastiha for a further 8 weeks. Disease activity was assessed by liver histology and determination of plasma transaminase activities. Fecal microbiota DNA extraction and 16S rRNA amplicon sequencing were used to determine the composition of the gut microbiome.

Mastiha supplementation led to a significant reduction in circulating alanine aminotransferase (ALT) activity, improvement in hepatic steatosis and collagen content, and a reduction in NAFLD activity score. Furthermore, it resulted in a partial but significant recovery of gut microbiota diversity and changes in identity and abundance of specific taxa.

Conclusion

This is the first study demonstrating an improvement in disease activity in mice with advanced NASH with fibrosis by a diet containing Mastiha.
Circularly polarized flexible antenna on liquid crystal polymer substrate material with metamaterial loading
Authors: Venkateswara Rao Manikonda , Madhav Boddapati Taraka Phani , Anilkumar Tirunagari , Prudhvinadh Badugu
Published: October 2019

In this work, a metamaterial loaded circularly polarized (CP) flexible CPW fed antenna is presented. The flexible behavior of the antenna is analyzed and tested at various bending angles. The overall dimension of the liquid crystal polymer (LCP) antenna is 0.44 λ0 × 0.37 λ0, which is having thickness of 0.1 mm. The planar LCP antenna works at WiMAX (3.5 GHz), WLAN (5.8 GHz), and at vehicular communication band (5.9 GHz). Using metamaterial exhibiting split ring resonators and CSRR placement on the either side of the feedline and ground, we obtained circular polarization. Both planar and bending antenna cases are analyzed and results such as axial ratio, reflection coefficient, and radiation patterns with respect to planar and bending angles are validated with measurement results.
Multiparametric deep learning tissue signatures for a radiological biomarker of breast cancer: Preliminary results
Authors: Parekh Vishwa S. , Macura Katarzyna J. , Harvey Susan C. , Kamel Ihab R. , EI‐Khouli Riham , Bluemke David A. , Jacobs Michael A.
Published: October 2019

Purpose

Deep learning is emerging in radiology due to the increased computational capabilities available to reading rooms. These computational developments have the ability to mimic the radiologist and may allow for more accurate tissue characterization of normal and pathological lesion tissue to assist radiologists in defining different diseases. We introduce a novel tissue signature model based on tissue characteristics in breast tissue from multiparametric magnetic resonance imaging (mpMRI). The breast tissue signatures are used as inputs in a stacked sparse autoencoder (SSAE) multiparametric deep learning (MPDL) network for segmentation of breast mpMRI.

Methods

We constructed the MPDL network from SSAE with 5 layers with 10 nodes at each layer. A total cohort of 195 breast cancer subjects were used for training and testing of the MPDL network. The cohort consisted of a training dataset of 145 subjects and an independent validation set of 50 subjects. After segmentation, we used a combined SAE‐support vector machine (SAE‐SVM) learning method for classification. Dice similarity (DS) metrics were calculated between the segmented MPDL and dynamic contrast enhancement (DCE) MRI‐defined lesions. Sensitivity, specificity, and area under the curve (AUC) metrics were used to classify benign from malignant lesions.

Results

The MPDL segmentation resulted in a high DS of 0.87 ± 0.05 for malignant lesions and 0.84 ± 0.07 for benign lesions. The MPDL had excellent sensitivity and specificity of 86% and 86% with positive predictive and negative predictive values of 92% and 73%, respectively, and an AUC of 0.90.

Conclusions

Using a new tissue signature model as inputs into the MPDL algorithm, we have successfully validated MPDL in a large cohort of subjects and achieved results similar to radiologists.
Variability in antenatal prognostication of fetal diaphragmatic hernia across the North American Fetal Therapy Network (NAFTNet)
Authors: Abbasi Nimrah , Cortes Magda Sanz , Ruano Rodrigo , Johnson Anthony , Morgan Tara , Coleman Beverly , Baschat Ahmet , Zaretsky Michael , Lim Foong Yen , Bulas Dorothy , Benachi Alexandra , Ryan Greg ,   on behalf of the NAFTNet*
Published: October 2019

Objective

To evaluate variability in antenatal sonographic prognostication of congenital diaphragmatic hernia (CDH) within the North American Fetal Therapy Network (NAFTNet).

Methods

NAFTNet centre were invited to complete a questionnaire and participate in videoconference calls, during which participants were observed while measuring lung area by ultrasound using the anteroposterior (AP) method, longest method, and trace method. Each center identified 1–2 experienced fetal medicine specialist(s) or medical imaging specialists locally to participate in the study. Practices were compared among NAFTNet centre within and without the fetal endoscopic tracheal occlusion (FETO) consortium.

Results

Nineteen participants from 9 FETO center and 30 participants from 17 non‐FETO center completed the survey and 31 participants were interviewed and observed while measuring sonographic lung area. All Centres measured observed‐to‐expected lung‐to‐head ratio (o/e LHR) or LHR for CDH prognostication. Image selection criteria for lung area measurement were consistent, including an axial section of the chest with clear lung borders and a 4‐chamber cardiac view. Lung area measurement methods varied across NAFTNet, with most centre using longest (4/9 FETO vs. 13/29 non‐FETO) or trace (3/9 FETO vs. 11/29 non‐FETO) method. Centres differed in expected reference ranges for o/e LHR determination and whether the lowest, highest or average o/e LHR was utilized.

Conclusion

Variability in antenatal sonographic prognostication of CDH was identified across NAFTNet, indicating a need for consensus‐based standardization.
Association between fetal fraction at the second trimester and subsequent spontaneous preterm birth
Authors: Guo Fang‐fang , Yang Jie‐xia , Huang Yan‐lin , Qi Yi‐ming , Hou Ya‐ping , Peng Hai‐shan , Wang Dong‐mei , Wang Yi‐xia , Luo Xiao‐hui , Li Yi , Yin Ai‐hua
Published: October 2019

Objective

To evaluate the association between the fetal fraction of cell‐free DNA at the second trimester and subsequent spontaneous preterm birth.

Methods

In this retrospective cohort study, data were collected from women with singleton pregnancies who underwent noninvasive prenatal testing at 14 to 25 weeks of gestation. The eligible patients were classified into three groups according to pregnancy outcome: birth at ≥37 weeks of gestation (term group), delivery at <34 weeks of gestation (early spontaneous preterm), and delivery at 34+0 to 36+6 weeks of gestation (late spontaneous preterm). Stepwise linear regression was performed to determine the maternal characteristics associated with the fetal fraction of cell‐free DNA. Logistic regression was used to determine the relationship between the fetal fraction of cell‐free DNA and pregnancy outcomes by adjusting for history of preterm birth.

Results

A total of 8129 singleton pregnancies met the recruitment criteria. Among them, 7790 (95.83%) were in the term group, 284 (3.49%) were in the late spontaneous preterm group, and 55 (0.68%) were in the early spontaneous preterm group. The fetal fraction of cell‐free DNA was negatively correlated with body mass index, maternal age, nulliparity, and history of spontaneous preterm birth; positively correlated with gestational age; and not correlated with assisted reproduction or surface antigen of hepatitis B virus (HBsAg) positivity. After adjusting for history of preterm birth, a logistic regression analysis demonstrated no statistically significant associations between the fetal fraction of cell‐free DNA and spontaneous preterm birth in any of the preterm groups (<34 weeks, 34+0 to 36+6 weeks, and <37 weeks).

Conclusion

Our preliminary study found no relationship between the fetal fraction on NIPT at the second trimester and subsequent spontaneous preterm birth.
Using three‐dimensional ultrasound in predicting complex gastroschisis: A longitudinal, prospective, multicenter cohort study
Authors: Hijkoop Annelieke , Lap Chiara C.M.M. , Aliasi Moska , Mulder Eduard J.H. , Kramer William L.M. , Brouwers Hens A.A. , van Baren Robertine , Pajkrt Eva , van Kaam Anton H. , Bilardo Caterina M. , Pistorius Lourens R. , Visser Gerard H.A. , Wijnen René M.H. , Tibboel Dick , Manten Gwendolyn T.R. , Cohen‐Overbeek Titia E.
Published: October 2019

Objective

To determine whether complex gastroschisis (ie, intestinal atresia, perforation, necrosis, or volvulus) can prenatally be distinguished from simple gastroschisis by fetal stomach volume and stomach‐bladder distance, using three‐dimensional (3D) ultrasound.

Methods

This multicenter prospective cohort study was conducted in the Netherlands between 2010 and 2015. Of seven university medical centers, we included the four centers that performed longitudinal 3D ultrasound measurements at a regular basis. We calculated stomach volumes (n = 223) using Sonography‐based Automated Volume Count. The shortest stomach‐bladder distance (n = 241) was determined using multiplanar visualization of the volume datasets. We used linear mixed modelling to evaluate the effect of gestational age and type of gastroschisis (simple or complex) on fetal stomach volume and stomach‐bladder distance.

Results

We included 79 affected fetuses. Sixty‐six (84%) had been assessed with 3D ultrasound at least once; 64 of these 66 were liveborn, nine (14%) had complex gastroschisis. With advancing gestational age, stomach volume significantly increased, and stomach‐bladder distance decreased (both P < .001). The developmental changes did not differ significantly between fetuses with simple and complex gastroschisis, neither for fetal stomach volume (P = .85), nor for stomach bladder distance (P = .78).

Conclusion

Fetal stomach volume and stomach‐bladder distance, measured during pregnancy using 3D ultrasonography, do not predict complex gastroschisis.
Validity and reliability of the 6‐min step test in individuals with coronary artery disease
Authors: Travensolo Cristiane de Fátima , Arcuri Juliano Ferreira , Polito Marcos Doederlein
Published: October 2019

Objective

To assess the validity and reliability of the 6‐min step test (6MST) in individuals with coronary artery disease (CAD).

Methods

In a randomized and crossover design, 35 patients with CAD (65.8 ± 9.6 years), referred by a physician of a cardiology ambulatory, performed two 6MSTs and two 6‐min walk tests (6MWTs) in order to assess reliability in patients with arterial coronary disease. The order of performance of the tests was established by a draw.

Results

6MST test–retest reliability was excellent (intraclass correlation coefficient = 0.967; 95% CI: 0.766, 0.989; p < .05). There was an increase of 7.9 ± 8.2 steps from the first to the second 6MST, with a technical error of measurement = 8.0; p < .001. The correlations between distance walked in the 6MWT and number of steps in the 6MST in the first and second tests were 0.6 and 0.7 (p < .001), respectively.

Conclusion

The 6MST is a reliable test to measure functional capacity in individuals with CAD. The test is valid when using 6MWT as the gold standard. There is an 88% chance of a subject classified in a given tertile by the 6MWT being in the same tertile in the 6MST.
MotifAnalyzer‐PDZ: A computational program to investigate the evolution of PDZ‐binding target specificity
Authors: Valgardson Jordan , Cosbey Robin , Houser Paul , Rupp Milo , Van Bronkhorst Raiden , Lee Michael , Jagodzinski Filip , Amacher Jeanine F.
Published: October 2019

Recognition of short linear motifs (SLiMs) or peptides by proteins is an important component of many cellular processes. However, due to limited and degenerate binding motifs, prediction of cellular targets is challenging. In addition, many of these interactions are transient and of relatively low affinity. Here, we focus on one of the largest families of SLiM‐binding domains in the human proteome, the PDZ domain. These domains bind the extreme C‐terminus of target proteins, and are involved in many signaling and trafficking pathways. To predict endogenous targets of PDZ domains, we developed MotifAnalyzer‐PDZ, a program that filters and compares all motif‐satisfying sequences in any publicly available proteome. This approach enables us to determine possible PDZ binding targets in humans and other organisms. Using this program, we predicted and biochemically tested novel human PDZ targets by looking for strong sequence conservation in evolution. We also identified three C‐terminal sequences in choanoflagellates that bind a choanoflagellate PDZ domain, the Monsiga brevicollis SHANK1 PDZ domain (mbSHANK1), with endogenously‐relevant affinities, despite a lack of conservation with the targets of a homologous human PDZ domain, SHANK1. All three are predicted to be signaling proteins, with strong sequence homology to cytosolic and receptor tyrosine kinases. Finally, we analyzed and compared the positional amino acid enrichments in PDZ motif‐satisfying sequences from over a dozen organisms. Overall, MotifAnalyzer‐PDZ is a versatile program to investigate potential PDZ interactions. This proof‐of‐concept work is poised to enable similar types of analyses for other SLiM‐binding domains (e.g., MotifAnalyzer‐Kinase). MotifAnalyzer‐PDZ is available at http://motifAnalyzerPDZ.cs.wwu.edu.
The Urfold: Structural similarity just above the superfold level?
Authors: Mura Cameron , Veretnik Stella , Bourne Philip E.
Published: October 2019

We suspect that there is a level of granularity of protein structure intermediate between the classical levels of “architecture” and “topology,” as reflected in such phenomena as extensive three‐dimensional structural similarity above the level of (super)folds. Here, we examine this notion of architectural identity despite topological variability, starting with a concept that we call the “Urfold.” We believe that this model could offer a new conceptual approach for protein structural analysis and classification: indeed, the Urfold concept may help reconcile various phenomena that have been frequently recognized or debated for years, such as the precise meaning of “significant” structural overlap and the degree of continuity of fold space. More broadly, the role of structural similarity in sequence↔structure↔function evolution has been studied via many models over the years; by addressing a conceptual gap that we believe exists between the architecture and topology levels of structural classification schemes, the Urfold eventually may help synthesize these models into a generalized, consistent framework. Here, we begin by qualitatively introducing the concept.
Accessory mutations balance the marginal stability of the HIV‐1 protease in drug resistance
Authors: Weikl Thomas R. , Hemmateenejad Bahram
Published: October 2019

The HIV‐1 protease is a major target of inhibitor drugs in AIDS therapies. The therapies are impaired by mutations of the HIV‐1 protease that can lead to resistance to protease inhibitors. These mutations are classified into major mutations, which usually occur first and clearly reduce the susceptibility to protease inhibitors, and minor, accessory mutations that occur later and individually do not substantially affect the susceptibility to inhibitors. Major mutations are predominantly located in the active site of the HIV‐1 protease and can directly interfere with inhibitor binding. Minor mutations, in contrast, are typically located distal to the active site. A central question is how these distal mutations contribute to resistance development. In this article, we present a systematic computational investigation of stability changes caused by major and minor mutations of the HIV‐1 protease. As most small single‐domain proteins, the HIV‐1 protease is only marginally stable. Mutations that destabilize the folded, active state of the protease therefore can shift the conformational equilibrium towards the unfolded, inactive state. We find that the most frequent major mutations destabilize the HIV‐1 protease, whereas roughly half of the frequent minor mutations are stabilizing. An analysis of protease sequences from patients in treatment indicates that the stabilizing minor mutations are frequently correlated with destabilizing major mutations, and that highly resistant HIV‐1 proteases exhibit significant fractions of stabilizing mutations. Our results thus indicate a central role of minor mutations in balancing the marginal stability of the protease against the destabilization induced by the most frequent major mutations.
Synthesis and Properties of InGaN/GaN Multiple Quantum Well Nanowires on Si (111) by Molecular Beam Epitaxy
Authors: Wu Yaozheng , Liu Bin , Li Zhenhua , Tao Tao , Xie Zili , Wang Ke , Xiu Xiangqian , Chen Dunjun , Lu Hai , Zhang Rong , Zheng Youdou
Published: October 2019

Herein, InGaN/GaN multiple quantum well (MQW) nanowire ensembles grown on Si (111) substrates by plasma‐assisted molecular beam epitaxy (PA‐MBE) are investigated. Well‐oriented InGaN/GaN nanowires with perfect wurtzite crystal structure can be achieved by optimizing the growth parameter of bottom GaN nanowires. The morphology of the nanowires is strongly influenced by the AlN seeding layer growth time as well as the Ga/N flux ratio and by introducing excessive In flux and relatively higher quantum barrier (QB) growth temperatures. Strong emission from InGaN/GaN nanowires can be achieved by varying InGaN growth temperatures to change the incorporation of indium, therefore tuning the emission spectra from violet to amber. The observations from transmission electron microscopy (TEM) and energy dispersive spectrometer (EDS) mapping prove the high quality of MQWs with sharp interfaces and the uniform indium distribution in InGaN QWs.
Remote Light‐Responsive Nanocarriers for Controlled Drug Delivery: Advances and Perspectives
Authors: Zhao Wei , Zhao Yongmei , Wang Qingfu , Liu Tianqing , Sun Jingjiang , Zhang Run
Published: October 2019

Engineering of smart photoactivated nanomaterials for targeted drug delivery systems (DDS) has recently attracted considerable research interest as light enables precise and accurate controlled release of drug molecules in specific diseased cells and/or tissues in a highly spatial and temporal manner. In general, the development of appropriate light‐triggered DDS relies on processes of photolysis, photoisomerization, photo‐cross‐linking/un‐cross‐linking, and photoreduction, which are normally sensitive to ultraviolet (UV) or visible (Vis) light irradiation. Considering the issues of poor tissue penetration and high phototoxicity of these high‐energy photons of UV/Vis light, recently nanocarriers have been developed based on light‐response to low‐energy photon irradiation, in particular for the light wavelengths located in the near infrared (NIR) range. NIR light‐triggered drug release systems are normally achieved by using two‐photon absorption and photon upconversion processes. Herein, recent advances of light‐responsive nanoplatforms for controlled drug release are reviewed, covering the mechanism of light responsive small molecules and polymers, UV and Vis light responsive nanocarriers, and NIR light responsive nanocarriers. NIR‐light triggered drug delivery by two‐photon excitation and upconversion luminescence strategies is also included. In addition, the challenges and future perspectives for the development of light triggered DDS are highlighted.
RuO2 Particles Anchored on Brush‐Like 3D Carbon Cloth Guide Homogenous Li/Na Nucleation Framework for Stable Li/Na Anode
Authors: Ye Shufen , Liu Fanfan , Xu Rui , Yao Yu , Zhou Xuefeng , Feng Yuezhan , Cheng Xiaolong , Yu Yan
Published: October 2019

Lithium (sodium)‐metal batteries are the most promising batteries for next‐generation electrical energy storage due to their high volumetric energy density and gravimetric energy density. However, their applications have been prevented by uncontrollable dendrite growth and large volume expansion during the stripping/plating process. To address this issue, the key strategy is to realize uniform lithium (sodium) deposition during the stripping/plating process. Herein, a thin lithiophilic layer consisting of RuO2 particles anchored on brush‐like 3D carbon cloth (RuO2@CC) is prepared by a simple solution‐based method. After infusion of Li, the RuO2@CC transfers to Li‐Ru@CC. Ru nanoparticles not only play a role in leading Li+ (Na+) to plate on the 3D carbon framework, but also lower local current density because of the good electrical conductivity. Furthermore, density functional theory calculations demonstrate that Ru metal, the reaction product of alkali metal and Ru, can lead Li+ to plate evenly around carbon fiber owing to the strong binding energy with Li+. The Li‐Ru@CC anode shows ultralong cycle life (1500 h at 5 mA cm−2). The full cell of Li‐Ru@CC|LiFePO4 exhibits lower polarization (90% capacity retention after 650 cycles). In addition, sodium metal batteries based on Na‐Ru@CC anodes can achieve similar improvement.
Nanofluidic Behaviors of Water and Ions in Covalent Triazine Framework (CTF) Multilayers
Authors: Wei Mingjie , Zhou Wei , Xu Fang , Wang Yong
Published: October 2019

Covalent triazine frameworks (CTFs) hosting arrays of highly ordered sub‐2‐nm pores are expected to exhibit unusual nanofluidic behaviors, which may enable important applications such as desalination. Herein, nonequilibrium molecular dynamics simulations are applied to investigate transport of water and ions inside two typical CTFs—CTF‐1, and CTF‐2—having intrinsic pores of 1.2 and 1.5 nm, respectively. Their monolayers exhibit extremely high water permeance but weak ion rejection. CTF multilayers are then investigated. Transport resistances composed of interior and interfacial contribution are correlated with stacking numbers of CTF monolayers to develop equations of predicting water permeance. It is revealed that both the stacking fashion and the number of CTF monolayers forming multilayers significantly influence permeation and ion rejection. Staggered multilayers exhibit much higher ion rejection than eclipsed ones. Staggered CTF‐2 multilayers completely reject ions because the interlayer paths between two adjacent staggered monolayers allow only water molecules to pass through. Importantly, it is predicted from the equations that few‐layered staggered CTF‐2 multilayers, which can be relatively easily produced by experimental methods, exhibit 100% NaCl rejection and up to 100 times higher permeance than commercial reverse osmosis membranes, implying their great potential as building blocks to prepare next‐generation desalination membranes.