bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis, DFT, computational exploration of chemical reactivity, molecular docking studies of novel formazan metal complexes and their biological applications
Authors: Khan Shakeel Ahmad , Rizwan Komal , Shahid Sammia , Noamaan Mahmoud A. , Rasheed Tahir , Amjad Hira
Published: January 2020

The computational exploration of chemical reactivity and molecular docking of the synthesized formazan compounds (S1‐S6) were studied. Further, their antimicrobial activity against bacterial strains (S. epidermidis, B. cereus, K. pneumoniae and P. aeruginosa) and against fungal strains (T. mentagrophytes, C. albicans, A. niger, S. cerevisiae and C. glabrata) using agar diffusion method and antioxidant activity following DPPH inhibition assays were evaluated. Anticancer activity was executed in vitro model of human breast carcinoma (MCF‐7) cell line. The superior and enhanced antibacterial and antimycotic activities were exhibited by formazan compound (S4) by presenting maximum ZOIs and MICs values. While enhanced antioxidant in terms of percentage inhibition of DPPH and cytotoxic effect on human breast carcinoma‐cells demonstrated by formazan compound (S1) which was further validated by the results of molecular docking studies of (S1) with the human estrogen receptor protein. In order to compute quantum chemical reactivity descriptors from conceptual density functional theory (CDFT) point of view of this system, including chemical potential (μ), chemical hardness (η), electrophilicity (ω), condensed Fukui function and dual descriptors are calculated at the same level of calculation. The most active sites of these molecules are determined and correlated with experimental data. The present investigation displays that formazans compounds could be potential drug candidate that constrains the growth of microbial strains, possess ability to cause cytotoxic effect on carcinoma cells and act as effective scavenger for free radical species.
Crosslinked, biodegradable polyurethanes for precision‐porous biomaterials: Synthesis and properties
Authors: Calleros Erasmo Lopez , Simonovsky Felix I. , Garty Shai , Ratner Buddy D.
Published: January 2020

Crosslinked poly(ester urethane)s and their acrylate derivatives based on trifunctional polycaprolactone and trifunctional aliphatic isocyanates were synthesized. Biodegradable scaffolds with uniform, controlled micron‐scale porosity were fabricated with these materials. Mechanical and swelling properties of monolithic and microporous materials were studied. Cytotoxicity, hydrolytic, and enzymatic degradation and their effects on mechanical properties of the biodegradable scaffolds were investigated. The polymer degradation products were found not to be cytotoxic at moderate concentrations and to permit cell attachment and spreading. Degradation rates and mechanical properties could be tuned to desired performance criteria for a given application by adjusting crosslink density and the ratio of hard segment to soft segment. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48943.
The influence of biased exposure to forgone outcomes
Authors: Plonsky Ori , Teodorescu Kinneret
Published: January 2020

After making decisions, we often get feedback concerning forgone outcomes (what would have happened had we chosen differently). Yet, many times, our exposure to such feedback is systematically biased. For example, your friends are more likely to tell you about a party you missed if it was fun than if it was boring. Despite its prevalence, the effects of biased exposure to forgone outcomes on future choice have not been directly studied. In three studies (five experiments) using a simplified learning task, we study the basic influence of biased exposure to forgone outcomes in the extreme case in which decision makers can easily infer the missing information such that the biased exposure carries almost no informational value. The results in all studies suggest that nevertheless, the biased exposure to forgone outcomes affected choice. Exposure to forgone outcomes only when they were better than the obtained outcomes (Only‐Better‐Forgone) increased selections of the forgone option compared with exposure to forgone outcomes only when they were worse than the obtained outcome (Only‐Worse‐Forgone). Moreover, relative to an unbiased exposure to all forgone outcomes, the effect of exposure to Only‐Worse‐Forgone was larger than the effect of exposure to Only‐Better‐Forgone feedback. However, these effects were not universal: In environments that include rare negative events (“disasters”), biased exposure to forgone outcomes had very little effect. We raise potential explanations and further discuss implications for marketing and risk awareness.
Atomistic probing of aptameric binding of CD19 outer membrane domain reveals an “aptamer walking” mechanism
Authors: Danquah Michael K. , Guo Hao‐Bo , Tan Kei X. , Bhakta Manoo
Published: January 2020

We propose an integrated structural approach to search potential aptamer molecules for targeting cancer receptor proteins. We used the outer cellular domain of the B‐lymphocyte antigen, CD19, as the target for this study. First, using available protein‐aptamer structures deposited in the protein data bank as resources, structural annotation was performed to seek the most probable binding aptamer and its potential initial configuration to the CD19 structure. Using this initial structure, molecular dynamics (MD) simulations were performed for adjustment of the aptamer‐binding. During this process, we observed an “aptamer walking” mechanism of the binding of the single‐stranded RNA‐aptamer to CD19: the aptamer molecule gradually adjusts its configurations and shifts toward favorable binding positions. However, the target molecule CD19 maintained a relatively stable conformation during this process. The interface area between the RNA‐aptamer and CD19 increased from less than 8 nm2 to over 12 nm2 during a 2‐μs MD simulation. Using a stable binding pose as the starting structure, we manually mutated the RNA‐aptamer to a DNA‐aptamer and found that the interface area was further increased to over 16 nm2, indicating a stronger affinity compared to the RNA‐aptamer. The RNA‐ and DNA‐aptamers and their stable binding‐poses to the CD19 molecule may be used as templates in designing potential aptamer molecules that target the B‐cell marker molecule CD19 with enhanced specificity and stability.
Management of stent underexpansion using intravascular lithotripsy—Defining the utility of a novel device
Authors: Yeoh Julian , Cottens Daan , Cosgrove Claudia , Mallek Khaled , Strange Julian , Anderson Richard , Wilson Simon , Hanratty Colm , Walsh Simon , McEntegart Margaret , Hill Jonathan , Spratt James C.
Published: January 2020

Objectives

This study aimed to present a case series of patient treated for stent underexpansion resistant to conventional treatment with intravascular lithotripsy (IVL).

Background

Stent underexpansion is a powerful predictor of long‐term stent patency and correlates with unfavorable clinical outcomes. This case series demonstrates the utility of IVL in managing stent underexpansion resistant to conventional treatment.

Methods

We describe a case series of patients with stent underexpansion due to calcific coronary artery disease treated with IVL. Stent underexpansion was identified as an inability to adequately expand stents with conventional treatment. Only cases that failed to achieve adequate expansion with high‐pressure noncompliant balloon inflation were included.

Results

Thirteen patients from six institutions have been included in this case series. The average age was 70.25 years with 76.9% of male patients. The average pre‐IVL minimal stent area (MSA) was 2.71 mm2, which improved to 6.44 mm2 post‐IVL treatment, representing an average MSA gain of 238%. There were no procedural, peri‐procedural, or 30‐day major adverse cardiac and cerebrovascular event.

Conclusion

This case series demonstrates that IVL is a feasible, safe alternative for the management of stent underexpansion due to calcific coronary disease.
Glandular odontogenic cyst—Report of a rare case
Authors: Poudel Pratibha , Srii Ritesh , Chaurasia Nitesh , Upadhyaya Chandan
Published: January 2020

Glandular odontogenic cyst is a rare developmental odontogenic cyst that bears similarity to several other odontogenic lesions. Till 2017, only 169 such cases have been reported in the literature. Herein, we describe one more case of it occurring in a 35‐year‐old female patient.
Doping Carbon Nitride Quantum Dots into Melamine‐Silver Matrix: An Efficient Photocatalyst with Tunable Morphology and Photocatalysis for H2O2 Evolution under Visible Light
Authors: Yin Mengyuan , Chen Xi , Wan Yuqi , Zhang Wenwen , Feng Luping , Zhang Lixiang , Wang Hua
Published: January 2020

Carbon nitride quantum dots (CNQDs) were doped into melamine (MA) and silver (Ag) matrix yielding CNQDs@MA−Ag nanocomposites by the supramolecular self‐assembly route. To our surprise, the resulting mesoporous nanocomposites could present different morphologies (i. e., nanowires, nanoflowers, and nanosheets) and especially tunable visible‐light photocatalysis performances depending on the percentages of CNQDs used. It was discovered that the CNQDs@MA−Ag ones with the pinecone‐like structure (containing 30 % CNQDs) could exhibit the strongest visible‐light photocatalysis for splitting water to yield H2O2 with a production efficiency of 39.82 μmol ⋅ g−1 h−1, which is more than ten‐fold higher than that of CNQDs alone. Herein, the nano‐scaled Ag could facilitate the increased light harvesting and the separation as well as transmission of electron‐hole pairs of CNQDs resulting in the enhanced visible‐light photocatalysis of nanocomposites. More importantly, the pinecone‐like ones might additionally enable more exposed active sites of photocatalysis and larger mesoporous specific area of contacting dissolved oxygen in water, leading to the higher photocatalytic efficiency of H2O2 generation. This CNQDs‐based fabrication strategy may open a new door towards the design of a variety of photocatalysts with different morphologies and tunable photocatalysis performances for the efficient splitting water toward H2O2 evolution under sunlight.
The Effect of Iron and Vanadium in VOy/Ce1‐xFexO2‐δ Catalysts in Low‐Temperature Selective Catalytic Reduction of NOx by Ammonia
Authors: Keller Sonja , Agostini Giovanni , Antoni Hendrik , Kreyenschulte Carsten R. , Atia Hanan , Rabeah Jabor , Bentrup Ursula , Brückner Angelika
Published: January 2020

Supported VOy/Ce1‐xFexO2‐δ catalysts (x=0, 0.5, 0.1, 0.2) and bare supports were prepared and tested in selective catalytic reduction (SCR) of NOx by NH3 between 150 and 300 °C with a GHSV of 70 000 h−1. Iron was found to be beneficial for the activity of the pristine supports, reaching 80 % conversion at 275 °C. When vanadium was additionally introduced into the system, iron was found to be detrimental for NOx‐conversion. To derive structure‐reactivity relationships, V‐free supports and VOy/Ce1‐xFexO2‐δ catalysts were characterized by XRD, XPS, Raman spectroscopy and TEM. In situ XANES, as well as operando DRIFTS and EPR measurements were performed to study the behavior of the catalysts under reaction conditions. Up to an iron content of x=0.1, a solid Ce1‐xFexO2‐δ solution was formed. Higher iron contents led to formation of iron oxide agglomerates. These agglomerates, as well as an increased amount of surface oxygen species were found to be responsible for increased NOx‐conversion over of pure supports. For V‐containing catalysts, an interaction of Fe and V centers could be found. Under reaction conditions, Fe3+ was preferentially reduced instead of V5+, decreasing the catalytic activity of VOy/Ce1‐xFexO2‐δ.
Biohydrogen Production Through Dark Fermentation
Authors: Sarangi Prakash K. , Nanda Sonil
Published: January 2020

Waste organic biomass is regarded as the most suitable renewable source for conversion to produce biofuels and biochemicals. Owing to its high‐energy potential and abundancy, lignocellulosic biomass can be utilized to produce alternative energy in the form of gaseous and liquid biofuels. Microbial conversion of waste biomass is the most successful technology for the generation of biohydrogen through dark fermentation. Different biological hydrogen production technologies along with process parameters are described in this review paper with the focus on dark fermentation. The production of biohydrogen from various substrates is summarized along with the integrated mode of dark fermentation and photofermentation. Hydrogen generation through biological water‐gas shift reaction is also highlighted.
Association between nonadherence to cardiovascular risk factor medications after breast cancer diagnosis and incidence of cardiac events
Authors: Hershman Dawn L. , Accordino Melissa K. , Shen Sherry , Buono Donna , Crew Katherine D. , Kalinsky Kevin , Trivedi Meghna S. , Hur Chin , Hu Jianhua , Unger Joseph M. , Wright Jason D.
Published: January 2020

Background

Cardiovascular disease (CVD) is the leading cause of death among patients with early‐stage breast cancer (BC), but adherence to cardiovascular disease risk factor (CVD‐RF) medications is reported to be poor in BC survivors. The objective of the current study was to determine the association between nonadherence to CVD‐RF medications and cardiovascular events in BC survivors.

Methods

The authors included patients with stages I to III BC from the Surveillance, Epidemiology, and End Results (SEER)–Medicare database who had Medicare part D coverage and who were taking at least 1 CVD‐RF medication prior to their BC diagnosis (2008‐2013). Logistic regression was performed to define factors associated with nonadherence. Cox regression was used to calculate the association between nonadherence and new cardiac events after treatment.

Results

Among 15,576 patients included in the current analysis, 4797 (30.8%) were nonadherent to at least 1 category after the initial BC treatment period. Black race, greater comorbidity burden, more advanced cancer stage, hormone receptor–negative status, and receipt of chemotherapy were found to be associated with nonadherence. Nonadherence after treatment demonstrated a trend toward an increased risk of a subsequent cardiac event (hazard ratio [HR], 1.15; 95% CI 1.00‐1.33 [P = .06]). This effect size increased with nonadherence to a greater number of medications (P < .01). There was an increased risk of experiencing a cardiac event noted with becoming nonadherent to hypertension medications (HR, 1.33; 95% CI, 1.18‐1.51 [P < .0001]), hyperlipidemia medications (HR, 1.21; 95% CI, 1.05‐1.40 [P = .009]), and diabetes medications (HR, 1.31; 95% CI, 1.10‐1.56 [P = .003]).

Conclusions

Nonadherence to CVD‐RF medications after treatment of BC is associated with an increased risk of a cardiac event. Improving outcomes and reducing morbidity after a diagnosis of BC requires attention to non‐BC conditions.
Neurocognitive and psychosocial outcomes in adult survivors of childhood soft‐tissue sarcoma: A report from the St. Jude Lifetime Cohort
Authors: Tonning Olsson Ingrid , Brinkman Tara M. , Wang Mingjuan , Ehrhardt Matthew J. , Banerjee Pia , Mulrooney Daniel A. , Huang I‐Chan , Ness Kirsten K. , Bishop Michael W. , Srivastava Deokumar , Robison Leslie L. , Hudson Melissa M. , Krull Kevin R.
Published: January 2020

Background

To the authors' knowledge, few studies to date have examined long‐term neurocognitive outcomes in survivors of childhood soft‐tissue sarcoma.

Methods

A total of 150 survivors (41% of whom were female with a mean current age of 33 years [SD, 8.9 years] and a time since diagnosis of 24 years [SD, 8.7 years]) and 349 community controls (56% of whom were female with a mean current age of 35 years [SD, 10.2 years]) completed comprehensive neuropsychological testing, echocardiography, electrocardiography, pulmonary function tests, endocrine evaluation, and physical examination. Patient‐reported outcomes of health‐related quality of life (HRQOL) and social attainment were collected. Survivors were compared with norms and controls on neurocognitive outcomes using general linear models, and on HRQOL and social attainment using modified Poisson models. The impacts of treatment and chronic health conditions on outcomes were examined using multivariable general linear models (effect size was expressed as unstandardized β estimates that reflected the unit of change from a mean of 0 and an SD of 1) and modified Poisson models (effect size expressed as relative risks).

Results

Compared with controls and population norms, survivors demonstrated lower performance on measures of verbal reasoning (mean z score, −0.45 [SD, 1.15]; P < .001) mathematics (mean z score, −0.63 [SD, 1.07]; P < .001), and long‐term memory (mean z score, −0.37 [SD, 1.14]; P < .001). Cumulative anthracycline exposure (per 100 mg/m2) was found to be associated with poorer verbal reasoning (β = −0.14 z scores; P = .04), reading (β = −0.09 z score; P = .04), and patient‐reported vitality (relative risk, 1.32; 95% CI, 1.09‐1.59). Neurologic and neurosensory chronic conditions were associated with poorer mathematics (neurologic conditions: β = −0.63 z score [P = 0.02]; and hearing impairment: β = −0.75 z scores [P < 0.01]). Better cognitive performance was associated with higher social attainment.

Conclusions

Long‐term survivors of soft‐tissue sarcoma are at risk of neurocognitive problems and poor HRQOL associated with anthracycline treatment and chronic health conditions.
Quantitative trait loci mapping of resistance to aluminum toxicity in common bean
Authors: Njobvu Justine , Hamabwe Swivia M. , Munyinda Kalaluka , Kelly James D. , Kamfwa Kelvin
Published: January 2020

Aluminum toxicity in acidic soils is a major constraint to common bean (Phaseolus vulgaris L.) production. The objective of this study was to identify quantitative trait loci (QTL) for Al resistance in a population of 150 F4:8 recombinant inbred lines (RILs) derived from parents Solwezi and AO‐1012‐29‐3‐3A, which contrasted in resistance to Al. The RILs and their parents were evaluated for Al resistance in a hydroponic system that had two nutrient solutions with either 0 μM (control solution) or 15 μM Al concentration (Al stress solution). Primary traits including root length (RL), root dry weight (RDW), and shoot dry weight (SDW) were measured. Percentage reductions in RL, RDW, and SDW were calculated from their respective primary traits. The RILs were genotyped with 5,398 single nucleotide polymorphisms and QTL identified using composite interval mapping. A total of eight QTL for Al resistance were identified on chromosomes Pv02, Pv04, Pv06, Pv07, Pv09, and Pv10. Variation in Al resistance explained by individual QTL ranged from 7.6 to 14.7%. Aluminum resistance QTL RL10.1 on Pv10 explained 10% of the genetic variation in RL. The QTL RL10.1 overlapped with QTL RDW10.1 identified for RDW in Al stress solution. Another Al resistance QTL RL6.1, which explained 10% of Al resistance variation, was identified on Pv06. The QTL on Pv02 and Pv07 appear to overlap with previously reported QTL for Al resistance. A candidate gene Phvul.007G025900 encoding an Al‐activated malate transporter was identified within the QTL RL7.1 The genetic architecture of Al resistance in the Solwezi and AO‐1012‐29‐3‐3A population is polygenic with additive action.
Effect of Continuous Capacity Rising Performed by FeS/Fe3C/C Composite Electrodes for Lithium‐Ion Batteries
Authors: Li Chengping , Sarapulova Angelina , Pfeifer Kristina , Dsoke Sonia
Published: January 2020

FeS‐based composites are sustainable conversion electrode materials for lithium‐ion batteries, combining features like low cost, environmental friendliness, and high capacities. However, they suffer from fast capacity decay and low electron conductivity. Herein, novel insights into a surprising phenomenon of this material are provided. A FeS/Fe3C/C nanocomposite synthesized by a facile hydrothermal method is compared with pure FeS. When applied as anode materials for lithium‐ion batteries, these two types of materials show different capacity evolution upon cycling. Surprisingly, the composite delivers a continuous increase in capacity instead of the expected capacity fading. This unique behavior is triggered by a catalyzing effect of Fe3C nanoparticles. The Fe3C phase is a beneficial byproduct of the synthesis and was not intentionally obtained. To further understand the effect of interconnected carbon balls on FeS‐based electrodes, complementary analytic techniques are used. Ex situ X‐ray radiation diffraction and ex situ scanning electron microscopy are employed to track phase fraction and morphology structure. In addition, the electrochemical kinetics and resistance are evaluated by cyclic voltammetry and electrochemical impedance spectroscopy. These results reveal that the interconnected carbon balls have a profound influence on the properties of FeS‐based electrodes resulting in an increased electrode conductivity, reduced particle size, and maintenance of the structure integrity.
Lucky Thirteen
Authors: Smith David J. , Staesche Halgard
Published: January 2020

Foresight is 2020: ChemSusChem Editors David Smith and Halgard Staesche introduce Volume 13 of the journal, look back on some of the major events in 2019 at the journal and in sustainable chemistry as a whole, and look forward to some of the exciting developments that 2020 has in store.
Transforming Methyl Levulinate into Biosurfactants and Biolubricants by Chemoselective Reductive Etherification with Fatty Alcohols
Authors: Garcia‐Ortiz Andrea , Arias Karen S. , Climent Maria J. , Corma Avelino , Iborra Sara
Published: January 2020

Biomass‐derived surfactants with very good surface tension and critical micellar concentration properties were obtained by conversion of methyl levulinate into methyl 4‐alkoxypentanoates through reductive etherification with aliphatic alcohols. Among different bifunctional acid/metal catalysts best results were obtained with Pd on carbon bearing acid sites. The reaction occurred through the formation of an enol ether intermediate followed by hydrogenation. Pd in high‐density planes was the active hydrogenation species, and an optimum crystal size was found to be approximately 10 nm. The reductive etherification with aliphatic alcohols was extended to other aliphatic and cyclic ketones and aldehydes obtained from biomass, and excellent results were obtained on supported Pd catalysts with the reaction route and experimental conditions described in this work.
Five‐year effectiveness of bariatric surgery on disease remission, weight loss, and changes of metabolic parameters in obese patients with type 2 diabetes: A population‐based propensity score‐matched cohort study
Authors: Wu Tingting , Wong Simon Kin Hung , Law Betty Tsz Ting , Grieve Eleanor , Wu Olivia , Tong Daniel King Hung , Leung David Kai Wing , Lam Cindy Lo Kuen , Wong Carlos King Ho
Published: January 2020

Aims

To compare disease remission rates, weight loss, and changes of metabolic parameters of patients after bariatric surgery with nonsurgical patients.

Methods

Based on the 2006‐2017 Hospital Authority database, a population‐based retrospective cohort of obese type 2 diabetes mellitus (T2DM) patients with and without bariatric surgery were identified. Surgical patients were matched with nonsurgical patients on 1‐to‐5 propensity score. Remission rates of diabetes, hypertension, and dyslipidaemia were reported annually up to 60 months. Changes in weight loss measurements (Body Mass Index [BMI], percentage of total weight loss [%TWL], percentage of excess weight loss [%EWL], and percentage of rebound in excess weight loss [%REWL]) and metabolic parameters (haemoglobin A1c [HbA1c], systolic blood pressure [SBP], diastolic blood pressure [DBP], and low‐density lipoprotein cholesterol [LDL‐C]) were measured for both groups.

Results

Four hundred one surgical patients (310 restrictive surgeries; 91 bypass surgeries) and 1894 nonsurgical patients were included. Surgical patients had higher remission rates in diabetes and dyslipidaemia and better glycaemic control at 12 to 60 months (all Ps < .01). SBP and DBP were significantly lower for surgical group up to 12 months and similar between two groups after 12 months. Surgical patients had significantly lower BMI during follow‐up period. %TWL and %EWL were higher in the surgery group (15.7% vs 3.7%; 48.8% vs 12.0%) at 60 months (P < .001); differences in %REWL between two groups were insignificant. The effectiveness of restrictive and bypass surgeries was similar at 60 months, although restrictive surgeries were slightly more effective in T2DM remission.

Conclusions

Bariatric surgery was effective in weight loss, remission of diabetes, and dyslipidaemia in 5‐year post‐surgery.
A checklist for choosing between R packages in ecology and evolution
Authors: Lortie Christopher J. , Braun Jenna , Filazzola Alessandro , Miguel Florencia
Published: January 2020

The open source and free programming language R is a phenomenal mechanism to address a multiplicity of challenges in ecology and evolution. It is also a complex ecosystem because of the diversity of solutions available to the analyst.

Packages for R enhance and specialize the capacity to explore both niche data/experiments and more common needs. However, the paradox of choice or how we select between many seemingly similar options can be overwhelming and lead to different potential outcomes.

There is extensive choice in ecology and evolution between packages for both fundamental statistics and for more specialized domain‐level analyses.

Here, we provide a checklist to inform these decisions based on the principles of resilience, need, and integration with scientific workflows for evidence.

It is important to explore choices in any analytical coding environment—not just R—for solutions to challenges in ecology and evolution, and document this process because it advances reproducible science, promotes a deeper understand of the scientific evidence, and ensures that the outcomes are correct, representative, and robust.
Determining the efficacy of camera traps, live capture traps, and detection dogs for locating cryptic small mammal species
Authors: Thomas Morgan L. , Baker Lynn , Beattie James R. , Baker Andrew M.
Published: January 2020

Metal box (e.g., Elliott, Sherman) traps and remote cameras are two of the most commonly employed methods presently used to survey terrestrial mammals. However, their relative efficacy at accurately detecting cryptic small mammals has not been adequately assessed. The present study therefore compared the effectiveness of metal box (Elliott) traps and vertically oriented, close range, white flash camera traps in detecting small mammals occurring in the Scenic Rim of eastern Australia. We also conducted a preliminary survey to determine effectiveness of a conservation detection dog (CDD) for identifying presence of a threatened carnivorous marsupial, Antechinus arktos, in present‐day and historical locations, using camera traps to corroborate detections. 200 Elliott traps and 20 white flash camera traps were set for four deployments per method, across a site where the target small mammals, including A. arktos, are known to occur. Camera traps produced higher detection probabilities than Elliott traps for all four species. Thus, vertically mounted white flash cameras were preferable for detecting the presence of cryptic small mammals in our survey. The CDD, which had been trained to detect A. arktos scat, indicated in total 31 times when deployed in the field survey area, with subsequent camera trap deployments specifically corroborating A. arktos presence at 100% (3) indication locations. Importantly, the dog indicated twice within Border Ranges National Park, where historical (1980s–1990s) specimen‐based records indicate the species was present, but extensive Elliott and camera trapping over the last 5–10 years have resulted in zero A. arktos captures. Camera traps subsequently corroborated A. arktos presence at these sites. This demonstrates that detection dogs can be a highly effective means of locating threatened, cryptic species, especially when traditional methods are unable to detect low‐density mammal populations.
An identification of invariants in life history traits of amphibians and reptiles
Authors: Hallmann Konstantin , Griebeler Eva Maria
Published: January 2020

While many morphological, physiological, and ecological characteristics of organisms scale with body size, some do not change under size transformation. They are called invariant. A recent study recommended five criteria for identifying invariant traits. These are based on that a trait exhibits a unimodal central tendency and varies over a limited range with body mass (type I), or that it does not vary systematically with body mass (type II). We methodologically improved these criteria and then applied them to life history traits of amphibians, Anura, Caudata (eleven traits), and reptiles (eight traits). The numbers of invariant traits identified by criteria differed across amphibian orders and between amphibians and reptiles. Reproductive output (maximum number of reproductive events per year), incubation time, length of larval period, and metamorphosis size were type I and II invariant across amphibians. In both amphibian orders, reproductive output and metamorphosis size were type I and II invariant. In Anura, incubation time and length of larval period and in Caudata, incubation time were further type II invariant. In reptiles, however, only number of clutches per year was invariant (type II). All these differences could reflect that in reptiles body size and in amphibians, Anura, and Caudata metamorphosis (neotenic species go not through it) and the trend toward independence of egg and larval development from water additionally constrained life history evolution. We further demonstrate that all invariance criteria worked for amphibian and reptilian life history traits, although we corroborated some known and identified new limitations to their application.
Synthesis of Expanded Hetero 2,6‐Pyrihexaphyrins
Authors: Rawat Nisha , Thorat Kishor G. , Kumar Sunit , Ravikanth Mangalampalli
Published: January 2020

New examples of expanded hetero 2,6‐pyrihexaphyrins 2–6 were synthesized in 12–18 % yields by condensing one equivalent of [10,10'‐bis(p‐tert‐butylphenyl)hydroxymethyl]‐1,3‐bis(2‐thienyl)‐pyridine diol with five different tripyrranes, under mild acid catalyzed conditions. The formation of 2,6‐pyrihexaphyrins 2–6 was confirmed by corresponding molecular ion peak in HR‐MS and were thoroughly characterized by 1D and 2D NMR spectroscopy, absorption, electrochemical and DFT/TD‐DFT studies. In 1H NMR, the proton resonances were either upfield or downfield shifted as the nature of one of the core heterocycles was varied from pyrrole to furan, thiophene, selenophene, and tellurophene indicating that the electronic properties of the macrocycle were altered by changing the core heterocycle. The NMR studies indicated that the macrocycles were nonaromatic in nature and absorption spectra of 2,6‐pyrihexaphyrins 2–6 showed one broad absorption band in the region of 600–1000 nm and two relatively sharp bands in the region of 350–500 nm. The aza analogue 2 showed considerable red shift in the absorption bands compared to other hetero 2,6‐pyrihexaphyrins 3–6. Upon protonation of the macrocycles, the resulting protonated macrocycles 2.H22+‐6.H22+ exhibits bathochromically shifted absorption bands. The redox studies indicated that the 2,6‐pyrihexaphyrins 2–6 are electron deficient and DFT studies supported the distortion and nonaromatic nature of the macrocycles.
Attrition‐Enhanced Deracemization of Axially Chiral Nicotinamides
Authors: Ishikawa Hiroki , Ban Kazuma , Uemura Naohiro , Yoshida Yasushi , Mino Takashi , Kasashima Yoshio , Sakamoto Masami
Published: January 2020

Attrition‐enhanced deracemization of two axially chiral nicotinamides, crystallizing as a conglomerate of a P21 crystal system, was performed. N,N‐Dialkylnicotinamides with substituents on the 2‐ and 4‐positions of the pyridine ring exhibited stable axial chirality due to rotationally restricted scaffolds for the Ar–C(=O)N bond. Crystallization of the racemic mixtures from the melt or attrition‐enhanced deracemization led to the chiral breaking of symmetry to give 95–96 % ee of enantiomorphic crystals.
Perovskite LaNiO3 Nanocrystals inside Mesostructured Cellular Foam Silica: High Catalytic Activity and Stability for CO2 Methanation
Authors: Zhang Tengfei , Liu Qing
Published: January 2020

To simultaneously obtain high catalytic activity and stability, LaNiO3‐based catalysts supported on mesostructured cellular foam (MCF) silica are prepared by a citric acid–assisted impregnation method and applied for a CO2 methanation reaction. These MCF‐supported perovskite LaNiO3 (LaNiO3/MCF) samples are characterized by nitrogen adsorption, X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, H2‐temperature‐programmed reduction, and X‐ray photoelectron spectroscopy. The results indicate that these catalysts offer highly dispersed La2O3 and metallic Ni nanoparticles with intimate contact inside the pores of MCF support after reduction in H2 flow. Compared with the catalyst prepared by the coimpregnation method (30LNOM‐Im‐650), the citric acid–assisted LaNiO3/MCF (30LNOM‐C‐650) catalyst exhibits a much higher catalytic activity due to its higher Ni dispersion and stronger interrelationship between La2O3 and Ni species. In the 100 h‐lifetime test under the conditions of 450 °C, 0.1 MPa, and a high weight hourly space velocity of 60 000 mL g−1 h−1, 30LNOM‐C‐650 also shows a high long‐term stability without Ni sintering, which is attributed to the formation of enhanced interaction between metallic Ni and La2O3 via La2O2CO3 species on their interface as well as the confinement effect of the MCF support.
Sugar Acid–Assisted Thermolysis of All‐Solid‐State Ammonia Borane Hydrogen Fuel
Authors: Shin Seunghun , Jin Joon-Hyung , Jung Jihoon
Published: January 2020

An all‐solid‐state hydrogen fuel composite composed of ammonia borane (AB), a chemical hydride containing 19.6 wt% hydrogen, and mucic acid (MA) is used as a hydrogen fuel source in thermal dehydrogenation. AB thermolysis provides a hydrogen‐driven proton‐exchange membrane fuel cell with selective, on‐demand hydrogen generation by simply heating the pellet‐type composite. MA, a six‐carbon sugar acid containing two carboxylic acid groups at the C1 and C6 positions and four hydroxyl groups at the C2, C3, C4, and C5 positions, forms an optimized composite with AB (AB:MA = 8:2) to undergo a thermal dehydrogenation reaction to produce 10.77 wt% pure H2 at 80 °C in 1 min. Adipic acid (AA), a six‐carbon dioic acid without hydroxyl groups, is used as an analogue of MA and shows no catalytic effect in the AB+AA thermolysis process. It is believed that the AB+MA composite obeys the conventional alcoholysis mechanism in the thermolysis process.
Can online search data improve the forecast accuracy of pork price in China?
Authors: Ling Liwen , Zhang Dabin , Chen Shanying , Mugera Amin W.
Published: January 2020

Online search data provide us with a new perspective for quantifying public concern about animal diseases, which can be regarded as a major external shock to price fluctuations. We propose a modeling framework for pork price forecasting that incorporates online search data with support vector regression model. This novel framework involves three main steps: that is, formulation of the animal diseases composite indexes (ADCIs) based on online search data; forecast with the original ADCIs; and forecast improvement with the decomposed ADCIs. Considering that there are some noises within the online search data, four decomposition techniques are introduced: that is, wavelet decomposition, empirical mode decomposition, ensemble empirical mode decomposition, and singular spectrum analysis. The experimental study confirms the superiority of the proposed framework, which improves both the level and directional prediction accuracy. With the SSA method, the noise within the online search data can be removed and the performance of the optimal model is further enhanced. Owing to the long‐term effect of diseases outbreak on price volatility, these improvements are more prominent in the mid‐ and long‐term forecast horizons.
On long memory origins and forecast horizons
Authors: Vera‐Valdés J. Eduardo
Published: January 2020

Most long memory forecasting studies assume that long memory is generated by the fractional difference operator. We argue that the most cited theoretical arguments for the presence of long memory do not imply the fractional difference operator and assess the performance of the autoregressive fractionally integrated moving average (ARFIMA) model when forecasting series with long memory generated by nonfractional models. We find that ARFIMA models dominate in forecast performance regardless of the long memory generating mechanism and forecast horizon. Nonetheless, forecasting uncertainty at the shortest forecast horizon could make short memory models provide suitable forecast performance, particularly for smaller degrees of memory. Additionally, we analyze the forecasting performance of the heterogeneous autoregressive (HAR) model, which imposes restrictions on high‐order AR models. We find that the structure imposed by the HAR model produces better short and medium horizon forecasts than unconstrained AR models of the same order. Our results have implications for, among others, climate econometrics and financial econometrics models dealing with long memory series at different forecast horizons.
Diagnosis of diabetes mellitus using artificial neural network and classification and regression tree optimized with genetic algorithm
Authors: Pekel Özmen Ebru , Özcan Tuncay
Published: January 2020

Diabetes mellitus is one of the most important public health problems affecting millions of people worldwide. An early and accurate diagnosis of diabetes mellitus has critical importance for the medical treatments of patients. In this study, first, artificial neural network (ANN) and classification and regression tree (CART)‐based approaches are proposed for the diagnosis of diabetes. Hybrid ANN‐GA and CART‐GA approaches are then developed using a genetic algorithm (GA) to improve the classification accuracy of these approaches. Finally, the performances of the developed approaches are evaluated with a Pima Indian diabetes data set. Experimental results show that the developed hybrid CART‐GA approach outperforms the ANN, CART, and ANN‐GA approaches in terms of classification accuracy, and this approach provides an efficient methodology for diagnosis of diabetes mellitus.
Effect of combined chlorogenic acid and chitosan coating on antioxidant, antimicrobial, and sensory properties of snakehead fish in cold storage
Authors: Cao Xiaohuang , Islam Md. Nahidul , Chitrakar Bimal , Duan Zhenhua , Xu Wanxiu , Zhong Saiyi
Published: January 2020

Degradation of meat quality has always been a burning issue in fish preservation. To maintain the quality, a novel combination of chlorogenic acid (CGA) and chitosan (CS) coating was applied to snakehead fish fillets. Fish fillets were soaked into 2% chitosan (2CS), 0.2% CGA in 2% chitosan (0.2CGA/2CS), 0.5% CGA in 2% chitosan (0.5CGA/2CS), or 1.0% CGA in 2% chitosan (1.0CGA/2CS) solution; and then, coated samples were vacuum‐packaged and stored at 2 ± 0.5°C. pH values, color values, microbial loads, hardness, sensory qualities, and oxidization of lipids and proteins of stored fish fillets were investigated for 5 months. Antimicrobial activity was found to be nonsignificant (p ≤ .05) among different coated fish fillets, while color, antioxidant, and pH values were significantly (p ≤ .05) different. Lipid oxidation and protein oxidation were found to be inhibited in 2CS‐, 0.5CGA/2CS‐ and 1.0CGA/2CS‐coated fish fillet. All CGA/CS coating delayed increase in pH (p ≤ .05) and resulted brown color. However, only CS coating resulted in higher sensory scores (p ≤ .05) and controlled browning. Considering antioxidant properties and other quality parameters, CGA/CS coating might be applied commercially in fish preservation.
Geochemical characteristics of Late Triassic sandstones in the western part of Bayan Har Basin, Northern Tibetan Plateau, Western China: Constraints on provenance, source weathering, tectonic setting, and palaeoenvironment
Authors: Lin Xinwang , Zhang Zhenkai , Liu Xiangdong , Chen Ning , Wu Tong , Zhang Yafeng , Zhao Pengbin , Ma Xinqi , Zhou Zhenzhu
Published: January 2020

The Bayan Har Group in Quanshuigou area of the northern Tibetan Plateau is regionally subdivided into three litho‐stratigraphic units, namely, the upper, middle, and lower formations. In this study, we report geochemical data for the fine‐grained sandstones from the upper formation aiming to constrain their source area weathering, provenance, palaeoenvironment, and tectonic setting. The fine‐grained sandstones exhibit similar contents of SiO2 and Al2O3 relative to upper continental crust (UCC) and Post‐Archean Australian Shale and classified as wacke on log (SiO2/Al2O3)–log (Fe2O3/K2O) diagram. The trace elements are characterized by the depletion of the transition elements compared with the UCC. The chondrite‐normalized rare earth element (REE) patterns demonstrate enrichment of light REE (LREE) and depletion of heavy REE (HREE) with LREE/HREE varying from 7.99 to 10.28, as well as distinctive negative Eu anomalies (δEu = 0.63–0.73). The high index of compositional variability values indicates the fine‐grained sandstones are compositionally immature and first cycled. The low chemical index of alteration and plagioclase index of alteration values of the samples indicate the weak source weathering condition. Additionally, the characteristics of A–CN–K plot reveal that K‐metasomatism occurred after burial. A series of palaeoenvironment indexes imply that the Bayan Har Group was deposited in a oxic/suboxic marine–terrestrial transitional environment. On the basis of the newly established DF1–DF2 discrimination functions as well as other tectonic setting discrimination plots, we speculate that the Bayan Har Basin was a back‐arc basin during the Late Triassic.
Soil detachment by overland flow on steep cropland in the subtropical region of China
Authors: Ma Qianhong , Zhang Keli , Cao Zihao , Wei Mengyao , Yang Zhicheng
Published: January 2020

Accurate prediction of soil detachment capacity is fundamental to establish process‐based erosion models and improve soil loss assessment. Few studies were conducted to reveal the mechanism of detachment process for yellow soil on steep cropland in the subtropical region of China using field experiments. This study was performed to determine soil detachment characteristics and explore the relationships between soil detachment capacity (D
c) and flow rate, slope gradient, mean velocity, shear stress, stream power and unit stream power. Field experiments were conducted on intact soil with flow rates ranging from 0.2 × 10−3 to 0.5 × 10−3 m−3 s−1 and slope gradients varying from 8.8 to 42.4%. The results showed the following. (a) D
c of yellow soil was smaller than other soils because of its high clay content. (b) D
c was more susceptible to flow than to slope gradient. Power functions were derived to depict the relationship between D
c and the flow rate and slope gradient (R2 = 0.91). (c) D
c was better simulated by power functions of the stream power (R2 = 0.83) than functions of the shear stress or the unit stream power. (d) Considering its accuracy, simplicity and accessibility, the power function based on flow rate and slope gradient is recommended to predict D
c of yellow soil in the field. The results of this study provide useful support for revealing soil detachment mechanism and developing process‐based soil erosion models for the subtropical region of China.
The impact of childbirth education classes on delivery outcome
Authors: Gluck Ohad , Pinchas‐Cohen Tally , Hiaev Zvia , Rubinstein Hanny , Bar Jacob , Kovo Michal
Published: January 2020

Objective

To determine whether participating in childbirth classes is associated with pregnancy outcomes.

Methods

A retrospective study was conducted to review the medical records of all nulliparous women who participated in childbirth classes during their pregnancy and delivered in the authors’ institute, between January 2014 and December 2017 (CB class group). The control group comprised nulliparous women who delivered in the same time period, but who did not participate in any education classes (Not attended CB class group). The controls were matched in a ratio of 1:1 for gestational age at delivery and neonatal birth weight.

Results

Overall, 159 patients were included in each group. The class group was characterized with above average income (28 [23.9%] vs 19 [16.7%]; P=0.001) and higher education level (80 [64.0%] vs 60 [45.1%]; P=0.002), higher rate of normal vaginal delivery (128 [80.5%] vs 93 [58.5%]; P<0.001), and lower rate of vacuum extraction (12 [7.5%] vs 36 [22.6%]; P<0.001) compared to the Not attended CB class group. By logistic regression analysis, after controlling for obstetrics and socioeconomic variables, participation in childbirth classes was found to be independently associated with successful normal vaginal delivery (odds ratio 2.90; 95% confidence interval 1.13–7.38; P=0.024).

Conclusion

Participation in childbirth classes has a positive impact on pregnancy outcome.
History of Previous Fracture and Imminent Fracture Risk in Swedish Women Aged 55 to 90 Years Presenting With a Fragility Fracture
Authors: Toth Emese , Banefelt Jonas , Åkesson Kristina , Spångeus Anna , Ortsäter Gustaf , Libanati Cesar
Published: January 2020

The term “fracture cascade” refers to the sequence of fragility fractures resulting from the increased fracture risk that occurs with aging and following fractures. Here, we evaluate the sequence of previous fractures in women aged 55 to 90 years presenting with a fragility fracture and subsequent (12 to 24 months) fracture incidence. In this retrospective, observational study, women aged 55 to 90 years with an “index” fragility fracture in 2013 were identified from Swedish national registries. A history of previous fractures (2001 to 2012) and osteoporosis treatment was used to characterize fracture cascade patterns. Cumulative incidence of new fractures within 12 to 24 months following the index fracture, based on index fracture type and age, were used to describe the risk of subsequent fractures. A total of 35,146 women with a mean age of 73.8 years were included (7180 hip, 2786 clinical vertebral, and 25,180 nonhip/nonvertebral [NHNV] index fractures); 38% of women with hip, 38% with clinical vertebral, and 25% with NHNV index fractures had one or more previous fractures. Across all index fracture types, the proportion of women with any previous fracture increased with age; 34% to 46% of index hip or clinical vertebral fractures in women ≥70 years were not their first fracture. Following any index fracture, cumulative incidence of a new fracture over 24 months was over 11% (index clinical vertebral 18%; index hip 14%). Osteoporosis treatment rates were low both in patients with (27%) and without (18%) a previous fracture. These descriptive data demonstrate that almost one-third of women aged 55 to 90 years suffering a new fracture have had a previous fragility fracture. Fracture location influences incidence and type of subsequent fracture during the 24 months following a fragility fracture, with clinical vertebral fractures carrying the greatest imminent fracture risk. These data highlight the clinical impact and need for early, effective treatment soon after any fragility fracture. © 2020 The Authors. Journal of Bone and Mineral Research published by American Society for Bone and Mineral Research