bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrogen Bond Surrogate‐Constrained Dynamic Antiparallel β‐Sheets
Authors: Reddy Sravanthi S. , Pal Sunit , Ghosh Sudip , Prabhakaran Erode N. 
Published: March 2021

AbstractAntiparallel β‐sheets are important secondary structures within proteins that equilibrate with random‐coil states; however, little is known about the exact dynamics of this process. Here, the first dynamic β‐sheet models that mimic this equilibrium have been designed by using an H‐bond surrogate that introduces constraint and torque into a tertiary amide bond. 2D NMR data sufficiently reveal the structure, kinetics, and thermodynamics of the folding process, thereby leading the way to similar analysis in isolated biologically relevant β‐sheets.
Rhodium Nanoparticle Size Effects on the CO2 Reforming of Methane and Propane
Authors: Alabdullah Mohammed , Ibrahim Mahmoud , Dhawale Dattatray , Bau Jeremy A. , Harale Aadesh , Katikaneni Sai , Gascon Jorge 
Published: March 2021

AbstractThe CO2 (dry) reforming of hydrocarbons offers an opportunity to convert greenhouse gases into synthesis gas, which can further transform to various valued products. Here we explore the influence of Rh particle size and support on the reforming of propane and methane. To that end, Rh nanoparticles with controlled sizes varying from 1.6‐8.0 nm were synthesized following a polyol reduction method and then dispersed on three different solids: CeZrO2, ZrO2, and CeO2. Catalytic turnover rates along with advanced characterization of fresh and spent catalysts reveal a linear correlation of turnover rates with Rh particle size for both methane and propane reforming. The nature and rate of coke deposition are highly dependent on the support used and its interaction with the metallic phase.
Understanding the Effectiveness of Phospholane Electrolyte Additives in Lithium‐Ion Batteries under High‐Voltage Conditions
Authors: Wölke Christian , Diddens Diddo , Heidrich Bastian , Winter Martin , Cekic‐Laskovic Isidora 
Published: March 2021

AbstractSix phospholane functional electrolyte additives that enable the formation of an effective cathode electrolyte interphase (CEI) via a polymerization reaction on the electrode surface were designed, synthesized, and comparatively analyzed by means of complementary experimental and computational methods in order to understand their mode of action in NMC111‖graphite battery cells under high voltage conditions. Two reaction mechanisms, namely a phosphate‐based and a phosphonate‐based mechanism, were postulated and, based on systematic analysis, the phosphate mechanism was identified as the more likely. Direct correlation of the phospholane's structural features and relevant properties impacting the direct correlation of the phospholane's structural features and relevant properties impacting the overall cycling performance of NMC111‖graphite cells, as depicted by capacity retention, stands for a vital example approach towards identifying promising electrolyte components for advanced, targeted applications.
Differential treatment outcomes in BRCA1/2‐, CDK12‐, and ATM‐mutated metastatic castration‐resistant prostate cancer
Authors: Kwon Daniel H. , Chou Jonathan , Yip Steven M. , Reimers Melissa A. , Zhang Li , Wright Francis , Dhawan Mallika S. , Borno Hala T. , Desai Arpita , Aggarwal Rahul R. , Wyatt Alexander W. , Small Eric J. , Alva Ajjai S. , Chi Kim N. , Feng Felix Y. , Koshkin Vadim S. 
Published: March 2021

BACKGROUNDDNA damage repair mutations (DDRm) are common in patients with metastatic castration‐resistant prostate cancer (mCRPC). The optimal standard therapy for this population is not well described.METHODSA multi‐institutional, retrospective study of patients with mCRPC and DDRm was conducted. Patient data, including systemic therapies and responses, were collected. The decline in prostate‐specific antigen ≥ 50% from baseline (PSA50) and overall survival (OS) from the treatment start were compared by mutation and treatment type. A multivariable Cox proportional hazards model for OS was created that controlled for DDRm, first‐line treatment received for mCRPC, and clinical factors.RESULTSThe most common DDRm observed among 149 men with mCRPC were BRCA1/2 (44%), CDK12 (32%), and ATM (15%). The majority received first‐line abiraterone (40%) or enzalutamide (30%). The PSA50 rate with first‐line abiraterone was lower for CDK12 (52%) than BRCA1/2 (89%; P = .02). After first‐line abiraterone or enzalutamide, the median OS was longest with second‐line carboplatin‐chemotherapy (38 months) in comparison with abiraterone or enzalutamide (33 months), docetaxel (17 months), or cabazitaxel (11 months; P = .02). PSA50 responses to carboplatin‐based chemotherapy were higher for BRCA1/2 (79%) than ATM (14%; P = .02) or CDK12 (38%; P = .08). In a multivariable analysis, neither the specific DDRm type nor the first‐line treatment was associated with improved OS.CONCLUSIONSResponses to standard therapies were generally superior in patients with BRCA1/2 mutations and inferior in patients with ATM or CDK12 mutations. The DDRm type did not independently predict OS. After progression on first‐line abiraterone or enzalutamide, carboplatin‐based chemotherapy was associated with the longest OS. These findings may inform treatment discussions and clinical trial design and require prospective validation.
Influence of cross‐sectional velocity profile on flow characteristics of arterial wall modeled as elastic and viscoelastic material
Authors: Hasan Mohammad , Patel Badri Prasad , Pradyumna Sathyasimha 
Published: March 2021

AbstractIn the present work, blood flow behavior in a single artery and in arterial network is studied using time domain based one‐dimensional wave propagation model retaining the nonlinear convective force. 1‐D Navier–Stokes equation is used to model the flow behavior of the blood, using three unknown parameters: flow rate (q), cross‐sectional area of artery (A) and pressure (p) based formulation. Three different approximate velocity profile functions across the cross‐section namely modified flat, parabolic and the one proposed by Bessems are used to calculate the nonlinear convective force and the frictional force. Two different constitutive models, linear elastic model and standard linear solid model (Zener model) are used to model the arterial wall mechanical behavior. The system of partial differential equations is discretized using finite element and Crank Nicolson methods in space and time domains, respectively. Based on the formulation, an in house finite element code is developed to simulate flow behavior in both a single artery as well as in arterial network consisting of 20 small and large size arteries. Simulations are performed by enforcing a flow rate at the inlet and Windkessel model at the outlet. The results for elastic arterial wall model are found to be in good agreement with the results available in the literature. The flow rate/pressure predictions using different velocity profile functions are found to be nearly the same, however the Bessems velocity profile predicts more closer to 3D results compared to modified flat and parabolic profiles. Whereas, significant difference is found in the results predicted using elastic and viscoelastic artery wall models.
Epidemiology of acute myeloid leukemia in Virginia: Excellent survival outcomes for patients in rural Appalachia
Authors: Isaac Krista M. , Reed Daniel R. , Desai Raj Piyush , Williams Eli , Balkrishnan Rajesh , Keng Michael K. , Ballen Karen K. 
Published: March 2021

AbstractBackgroundAcute myeloid leukemia, the most common acute leukemia in adults, has a poor overall survival. Studies have suggested that certain socioeconomic factors such as living in a rural or farming area are associated with worse outcomes. Since 42% of acute myeloid leukemia patients seen in our academic center reside in a rural area, we have a unique opportunity to study outcomes of patients in rural versus urban settings.AimThis analysis evaluates the effect of geography and socioeconomic factors on the biology, treatment, and overall survival of patients with acute myeloid leukemia, with the goal of understanding health care disparities.Methods and resultsPatient characteristics, cytogenetic data, treatment history, and overall survival were collected and analyzed to identify differences between urban and rural residency. This cohort included 42% of patients who resided in a rural area at the time of acute myeloid leukemia diagnosis. There was no difference in overall survival between the cohorts. The 1 year overall survival for the entire cohort was 47.9%. There was no difference detected in rates of adverse cytogenetics between the rural and urban cohorts. Similar numbers of patients received induction chemotherapy or proceeded to allogeneic stem cell transplant between the cohorts.ConclusionsThis study highlights that similar outcomes can be achieved in rural and urban patients, suggesting that intensive efforts at telehealth, education, and collaboration with local oncology practices may be beneficial.
Pairing colours in residential architecture for different interior types
Authors: Ulusoy Begüm , Olguntürk Nilgün , Aslanoğlu Rengin 
Published: March 2021

AbstractMost colour studies focus on single colour effects; however, interiors are multi‐coloured environments and contemporary users are looking for more innovative colour schemes in interiors. Interior architects rely on their own subjective experience and instincts when they take up the challenge. This study aims to reveal colour semantics of paired colours on walls for different residential interior types (eg, living room) as a second part of the previous study conducted by the same authors. Both studies explore colour semantics through 42 Munsell colours (with variety of hues, value, and chroma levels) with 14 adjectives (eg, beautiful, unpleasant, cold) under controlled conditions. The predecessor study had explored single colour meanings, however, in this study, participants were asked to pair colours for the same residential interior types on the same semantic scales. Thus, its results can be compared to single colour data on different residential interior types through same methodology and participants. Results reveal that all colour attributes affect semantics paired wall colours. Orange is associated with negative meanings more whereas yellow hue induces positive meanings more for all adjective pairs, except cold‐warm and feminine‐masculine. For positive association, lighter colours and less saturated colours are selected more compared to saturated and darker colours. Comparing results of single colour study and the current study reveals that pairs cannot be anticipated through single colours for all residential interior types and adjectives, and positive adjectives tend to require different colours than their single associations in their pairs.
Automated location invariant animal detection in camera trap images using publicly available data sources
Authors: Shepley Andrew , Falzon Greg , Meek Paul , Kwan Paul 
Published: March 2021

Abstract

A time‐consuming challenge faced by camera trap practitioners is the extraction of meaningful data from images to inform ecological management. An increasingly popular solution is automated image classification software. However, most solutions are not sufficiently robust to be deployed on a large scale due to lack of location invariance when transferring models between sites. This prevents optimal use of ecological data resulting in significant expenditure of time and resources to annotate and retrain deep learning models.

We present a method ecologists can use to develop optimized location invariant camera trap object detectors by (a) evaluating publicly available image datasets characterized by high intradataset variability in training deep learning models for camera trap object detection and (b) using small subsets of camera trap images to optimize models for high accuracy domain‐specific applications.

We collected and annotated three datasets of images of striped hyena, rhinoceros, and pigs, from the image‐sharing websites FlickR and iNaturalist (FiN), to train three object detection models. We compared the performance of these models to that of three models trained on the Wildlife Conservation Society and Camera CATalogue datasets, when tested on out‐of‐sample Snapshot Serengeti datasets. We then increased FiN model robustness by infusing small subsets of camera trap images into training.

In all experiments, the mean Average Precision (mAP) of the FiN trained models was significantly higher (82.33%–88.59%) than that achieved by the models trained only on camera trap datasets (38.5%–66.74%). Infusion further improved mAP by 1.78%–32.08%.

Ecologists can use FiN images for training deep learning object detection solutions for camera trap image processing to develop location invariant, robust, out‐of‐the‐box software. Models can be further optimized by infusion of 5%–10% camera trap images into training data. This would allow AI technologies to be deployed on a large scale in ecological applications. Datasets and code related to this study are open source and available on this repository: https://doi.org/10.5061/dryad.1c59zw3tx.
Recurrent heart failure hospitalizations increase the risk of cardiovascular and all‐cause mortality in patients with heart failure in Sweden: a real‐world study
Authors: Lindmark Krister , Boman Kurt , Stålhammar Jan , Olofsson Mona , Lahoz Raquel , Studer Rachel , Proudfoot Clare , Corda Stefano , Fonseca Ana Filipa , Costa‐Scharplatz Madlaina , Levine Aaron , Törnblom Michael , Castelo‐Branco Anna , Kopsida Eleni , Wikström Gerhard 
Published: March 2021

AbstractAimsHeart failure (HF) is a leading cause of hospitalization and is associated with high morbidity and mortality. We examined the impact of recurrent HF hospitalizations (HFHs) on cardiovascular (CV) mortality among patients with HF in Sweden.Methods and resultsAdults with incident HF were identified from linked national health registers and electronic medical records from 01 January 2005 to 31 December 2013 for Uppsala and until 31 December 2014 for Västerbotten. CV mortality and all‐cause mortality were evaluated. A time‐dependent Cox regression model was used to estimate relative CV mortality rates for recurrent HFHs. Assessment was also done for ejection fraction‐based HF phenotypes and for comorbid atrial fibrillation, diabetes, or chronic renal impairment. Overall, 3878 patients with HF having an index hospitalization were included, providing 9691.9 patient‐years of follow‐up. Patients were relatively old (median age: 80 years) and were more frequently male (55.5%). Compared with patients without recurrent HFHs, the adjusted hazard ratio (HR [95% confidence interval; CI]) for CV mortality and all‐cause mortality were statistically significant for patients with one, two, three, and four or more recurrent HFHs. The risk of CV mortality and all‐cause mortality increased approximately six‐fold in patients with four or more recurrent HFHs vs. those without any HFHs (HR [95% CI]: 6.26 [5.24–7.48] and 5.59 [4.70–6.64], respectively). Similar patterns were observed across the HF phenotypes and patients with comorbidities.ConclusionsThere is a strong association between recurrent HFHs and CV and all‐cause mortality, with the risk increasing progressively with each recurrent HFH.
On the G‐Quadruplex Binding of a New Class of Nickel(II), Copper(II), and Zinc(II) Salphen‐Like Complexes
Authors: Farine Gianluca , Migliore Claudio , Terenzi Alessio , Lo Celso Fabrizio , Santoro Antonio , Bruno Giuseppe , Bonsignore Riccardo , Barone Giampaolo 
Published: March 2021

AbstractThe involvement of non‐canonical DNA structures, such as G‐quadruplex (G4) DNA, in cancer development and progression has set the pace towards the renaissance of DNA‐binding metal complexes. In this work, we report the DNA‐binding of three Ni(II), Cu(II), Zn(II) complexes of a salphen‐like N4‐donor ligand, bearing two imidazole groups condensed with a phenylenediamine moiety. Both duplex and G4 DNAs derived from human telomeres (hTelo), and a sequence mimicking the promoter of the oncogene myc (c‐myc) were studied. UV‐Vis and circular dichroism spectroscopic binding studies pointed out that, while all the three complexes bind the selected oligonucleotides, the Cu(II) derivative is the strongest and G4‐selective compound of the series. Lastly, FRET DNA melting assay results on the Cu(II) complex/hTelo G4 system were interpreted by a loop‐binding mechanism of interaction, as corroborated by molecular dynamics (MD) simulations.
Endoscopic transorbital ligation of the maxillary artery through the inferior orbital fissure
Authors: Mahmoud Mohammad S. , Diab Ahmed G. , Ngombu Stephany , Prevedello Daniel M. , Carrau Ricardo L. 
Published: March 2021

AbstractObjectiveDetermine the feasibility of accessing the internal maxillary artery (IMA) through a transorbital endoscopic assisted approach through the inferior orbital fissure (IOF).Materials and MethodsSix adult cadaveric specimens were injected intravascularly with colored latex and dissected on 12 sides. A transorbital endoscopic approach was used to expose the IOF and reach the IMA.ResultsThe average length and width of the anterolateral segment of the IOF were 7.3 and 4 mm, respectively, on the right side and 6.7 and 3.8 mm, respectively, on the left side. Surgical exposure and modification of the IOF allowed the exposure and control of the IMA in all 12 sides.ConclusionsThe IOF is a feasible portal to the IMA. The benefits of this approach include vascular control of the distal segment of the maxillary artery. It may provide access in clinical scenarios where endonasal access is not possible (e.g., extensive tumors) or serve as an alternative or complementary surgical route (e.g., control during a total or radical maxillectomy).
Heat transfer analysis of CNTs‐water nanofluid flow between nonparallel plates: Approximate solutions
Authors: Berrehal Hamza , Makinde O. D. 
Published: March 2021

AbstractApproximate solutions are given to investigate the problem of heat transfer and flow of a nanofluid between two nonparallel plates. Two different types of carbon nanotube (CNT) nanoparticles, namely functionalized single‐walled carbon nanotubes and functionalized multi‐walled carbon nanotubes are considered with water as the base fluid. The chemical functionalization is attributed to the attachment of the covalent bond of functional groups onto carbon nanotubes. Using the appropriate similarity variables, the model partial differential equations are transformed into ordinary differential equations and tackled analytically via the homotopy perturbation method. Comparison of the obtained results is carried out with those obtained by the previously published in the literature as well as the Runge–Kutta–Fehlberg method and an excellent agreement is achieved. The effects of various emerging parameters on nanofluid velocity, temperature, skin friction coefficient, and Nusselt number are illustrated graphically and comprehensively discussed.
Monocarbonyl curcuminoids as antituberculosis agents with their moderate in‐vitro metabolic stability on human liver microsomes
Authors: Gagandeep  , Singh Manisha , Kidawi Saqib , Das Ujjalkumar S. , Velpandian Thirumurthy , Singh Ramandeep , Rawat Diwan S. 
Published: March 2021

AbstractTuberculosis, an airborne infectious disease, results in a high morbidity and mortality rate. The continuous emergence of TB resistance strains including MDR (multidrug‐resistant tuberculosis), XDR (extensive drug‐resistant tuberculosis), and especially TDR (totally drug‐resistant tuberculosis) is a major public health threat and has intensified the need to develop new antitubercular agents. A natural product, curcumin, possesses diverse biological activities but suffers due to a lack of water solubility and bioavailability. To overcome these limitations, a series of 17 water‐soluble monocarbonyl curcuminoids was synthesized and evaluated for antimycobacterial activity. All compounds exhibited good to moderate anti‐TB activity with MIC99 in the range of 3.12–25.0 µM, out of which 7c and 7p were found the most potent compounds with MIC99 in the range of 3.12–6.25 µM. Furthermore, these compounds were observed to be nonhaemolytic, nontoxic, and stable under both physiological as well as reducing conditions. In‐vitro metabolic stability data of the representative compound 7p with the human liver microsome revealed that these compounds possess a moderate metabolism with a half‐life of 1.2 h and an intrinsic clearance of 1.12 ml/h/mg.
A real‐time light‐scattering technique for tailings solids measurement
Authors: Gupta Manisha , Ho Tim , Srivastava Tulika , Junaid Abu , Sedgwick Andrea , Tsui Ying Y. 
Published: March 2021

AbstractThis study presents the concept of an economic in situ light‐scattering sensor for real‐time measurement of the solid content in tailings facilities. An experimental setup using a blue (405 nm wavelength) laser diode and silicon photodiodes was constructed to measure the angular distribution of the intensity of scattered light. It was found that the angular intensity of scattered light for tailing samples follows a cosn(θ) relation with n ≈ 1.5, where θ is the angle between the laser beam and the photodiode. An angular value of θ = 20° was chosen for the sensor design based on a high signal‐to‐noise ratio. The setup was used to determine the relation between scattered light intensity and solids content using a thickened tailings underflow from an oil sands facility and Kaolin as a model material. It was observed that the intensity of scattered light tends to increase with an increase in solids content, with qualitatively similar settling behavior for the two materials but at largely different time scales. An insertion‐based prototype was built and tested in a large (2.7 m height) settling column with treated mature fine tailings, and the light‐scattering data were verified by standard gravimetric method and gamma‐ray measurements. In general, good agreement was established between these measurements in the absence of optical fouling, which demonstrates the potential of the sensor as an effective tool for tailings management.
Long‐term impacts of drain spacing, crop management, and weather on nitrate leaching to subsurface drains
Authors: Kladivko Eileen J. , Bowling Laura C. 
Published: March 2021

AbstractSubsurface drainage is an essential water management practice for many poorly drained soils in the U.S. Midwest, but this practice also contributes nitrate‐N loads to surface waters. This paper summarizes results from Years 16–31 of a long‐term drainage research project in southeastern Indiana and compares results with the first 15 yr of the study. The study compared three drain spacings (5, 10, and 20 m) managed with a no‐till corn (Zea mays L.)–soybean [Glycine max (L.) Merr.] rotation, with cover crops in about half of the years. Drainflow and nitrate‐N losses per unit area were greatest for the 5‐m spacing and lowest for the 20‐m spacing. Nitrate‐N concentrations did not vary with drain spacing and were generally in the range of 4–9 mg L–1. Annual nitrate‐N loads were linearly correlated with annual flow volumes, reflecting the relatively constant concentrations over the 16‐yr period. Whereas nitrate‐N concentrations were relatively constant throughout the year, short‐term concentration spikes occurred for nitrate‐N during June–July of corn years. About 70% of annual drainflow and N loads occurred during the fallow season of November–April. The results underscore the interacting effects of drainage design, crop management, and weather in determining the magnitude of N loss from drained agricultural fields.