bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spatial modelling of gully erosion using evidential belief function, logistic regression, and a new ensemble of evidential belief function–logistic regression algorithm
Authors: Arabameri Alireza , Pradhan Biswajeet , Rezaei Khalil , Yamani Mojtaba , Pourghasemi Hamid Reza , Lombardo Luigi 
Published: September 2018

AbstractThis study aims to assess gully erosion susceptibility and delineate gully erosion‐prone areas in Toroud Watershed, Semnan Province, Iran. Two different methods, namely, logistic regression (LR) and evidential belief function (EBF), were evaluated, and a new ensemble method was proposed using the combination of both methods. We initially created a gully erosion inventory map using different resources, including early reports, Google Earth images, and Global Positioning System‐aided field surveys. We subsequently split this information randomly and selected 70% (90) of the gullies for calibration and 30% (38) for validation. The method was constructed using a combination of morphometric and thematic predictors that include 16 conditioning parameters. We also assessed the following: (a) potential multicollinearity issues using tolerance and variance inflation factor indices and (b) covariate effects using LR coefficients and EBF class weights. Results show that land use/land cover, lithology, and distance to roads dominate the method with the greatest effect on gully occurrences. We produced three susceptibility maps and evaluated their predictive power through area under the curve (AUC) and seed cell area index analyses. AUC results revealed that the ensemble method presented a considerably higher performance (AUC = 0.909) than did the individual LR (0.802) and EBF (0.821) methods. Similarly, seed cell area index displayed a constant decrease from the ensemble to single methods. The resulted gully erosion‐susceptibility map could be used by decision makers and local managers for soil conservation, and for minimising damages in development activities including construction of infrastructures such as roads and the route of gas and electricity transmission lines.
Reactive Ion Plasma Modification of Poly(Vinyl‐Alcohol) Increases Primary Endothelial Cell Affinity and Reduces Thrombogenicity
Authors: Jurney Patrick L. , Anderson Deirdre E.J. , Pohan Grace , Yim Evelyn K. F. , Hinds Monica T. 
Published: September 2018

AbstractBulk material properties and luminal surface interaction with blood determine the clinical viability of vascular grafts, and reducing intimal hyperplasia is necessary to improve their long‐term patency. Here, the authors report that the surface of a biocompatible hydrogel material, poly(vinyl alcohol) (PVA) can be altered by exposing it to reactive ion plasma (RIP) in order to increase primary endothelial cell attachment. The power and the carrier gas of the RIP treatment are varied and the resultant surface nitrogen, water contact angle, as well as the ability of the RIP‐treated surfaces to support primary endothelial colony forming cells is characterized. Additionally, in a clinically relevant shunt model, the amounts of platelet and fibrin attachment to the surface were quantified during exposure to non‐anticoagulated blood. Treatments with all carrier gases resulted in an increase in the surface nitrogen. Treating PVA with O2, N2, and Ar RIP increased affinity to primary endothelial colony forming cells. The RIP treatments did not increase the thrombogenicity compared to untreated PVA and had significantly less platelet and fibrin attachment compared to the current clinical standard of expanded polytetrafluoroethylene (ePTFE). These findings indicate that RIP‐treatment of PVA could lead to increased patency in synthetic vascular grafts.
More Is Sometimes Less: Curcumin and Paclitaxel Formulations Using Poly(2‐oxazoline) and Poly(2‐oxazine)‐Based Amphiphiles Bearing Linear and Branched C9 Side Chains
Authors: Lübtow Michael M. , Keßler Larissa , Appelt‐Menzel Antje , Lorson Thomas , Gangloff Niklas , Kirsch Marius , Dahms Selma , Luxenhofer Robert 
Published: September 2018

AbstractA known limitation of polymer micelles for the formulation of hydrophobic drugs is their low loading capacity (LC), which rarely exceeds 20 wt%. One general strategy to overcome this limitation is to increase the amphiphilic contrast, that is, to make the hydrophobic core of the micelles more hydrophobic. However, in the case of poly(2‐oxazoline) (POx)‐based amphiphilic triblock copolymers, a minimal amphiphilic contrast was reported to be beneficial. Here, this subject is revisited in more detail using long hydrophobic side chains that are either linear (nonyl) or branched (3‐ethylheptyl). Two different backbones within the hydrophobic block are investigated, in particular POx and poly(2‐oxazine) (POzi), for the solubilization and co‐solubilization of the two highly water insoluble compounds, curcumin and paclitaxel. Even though high loading capacities can be achieved for curcumin using POzi‐based triblock copolymers, the solubilization capacity of all investigated polymers with longer side chains is significantly lower compared to POx and poly(2‐oxazine)s with shorter side chains. Although the even lower LC for paclitaxel can be somehow improved by co‐formulating curcumin, this study corroborates that in the case of POx and POzi‐based polymer micelles, an increased amphiphilic contrast leads to less drug solubilization.
Protein modeling and clinical description of a novel in‐frame GLB1 deletion causing GM1 gangliosidosis type II
Authors: Richter John E. , Zimmermann Michael T. , Blackburn Patrick R. , Mohammad Ahmed N. , Klee Eric W. , Pollard Laura M. , Macmurdo Colleen F. , Atwal Paldeep S. , Caulfield Thomas R. 
Published: September 2018

AbstractBackgroundBeta‐galactosidase‐1 (GLB1) is a lysosomal hydrolase that is responsible for breaking down specific glycoconjugates, particularly GM1 (monosialotetrahexosylganglioside). Pathogenic variants in GLB1 cause two different lysosomal storage disorders: GM1 gangliosidosis and mucopolysaccharidosis type IVB. In GM1 gangliosidosis, decreased β‐galactosidase‐1 enzymatic activity leads to the accumulation of GM1 gangliosides, predominantly within the CNS. We present a 22‐month‐old proband with GM1 gangliosidosis type II (late‐infantile form) in whom a novel homozygous in‐frame deletion (c.1468_1470delAAC, p.Asn490del) in GLB1 was detected.MethodsWe used an experimental protein structure of β‐galactosidase‐1 to generate a model of the p.Asn490del mutant and performed molecular dynamic simulations to determine whether this mutation leads to altered ligand positioning compared to the wild‐type protein. In addition, residual mutant enzyme activity in patient leukocytes was evaluated using a fluorometric assay.ResultsMolecular dynamics simulations showed the deletion to alter the catalytic site leading to misalignment of the catalytic residues and loss of collective motion within the model. We predict this misalignment will lead to impaired catalysis of β‐galactosidase‐1 substrates. Enzyme assays confirmed diminished GLB1 enzymatic activity (~3% of normal activity) in the proband.ConclusionsWe have described a novel, pathogenic in‐frame deletion of GLB1 in a patient with GM1 gangliosidosis type II.
The development of a patient‐reported outcome measure for real‐time symptom assessment in a population with functional urologic complaints—A focus group study
Authors: Herrewegh Alexandra , Vork Lisa , Eurelings Eline , Leue Carsten , Kruimel Joanna , van Koeveringe Gommert , Vrijens Desiree 
Published: September 2018

AimsIn the current diagnostic process for overactive bladder syndrome (OAB), biased retrospective questionnaires are often used. There is a need for a new assessment tool that embraces the heterogeneity of the OAB complex. A momentary assessment tool, the Experience Sampling Method (ESM) is promising, capturing random repetitive measurements during the day in the context of daily life and is capable to measure potential contextual triggers and psychological aspects. A focus group study was set up to evaluate which items should be implemented in a urological ESM.MethodsFocus group interviews were arranged, to assess the suitability and comprehensibility of a newly developed urological patient‐reported outcome measurement (PROM), “Uromate.” “Uromate” was created based on ESM literature. A multidisciplinary expert meeting was conducted to gain consensus on item relevance.ResultsThe initial ESM questionnaire contained 58 items, but was eventually reduced to 39 items after focus group sessions and expert meeting. Thirty‐seven items are repeated questions, including three gender‐dependent items. Two items are one‐time questions about the use of incontinence material. Additionally, a morning questionnaire was included. Depending on the symptom pattern, a minimum of 26 items and a maximum of 36 items will be repeatedly assessed with “Uromate.”ConclusionThere is a need for a modern assessment tool for OAB which overcomes the limitations of today's retrospective questionnaires. Therefore, a urological ESM tool, the “Uromate,” is being developed as a PROM, following the FDA PROM development guidelines, to measure real‐time symptoms in the context of daily life.
Comparison of urologic and non‐urologic presentation in interstitial cystitis/bladder pain syndrome patients with and without Hunner lesions
Authors: Van Moh Frederick , Vetter Joel , Lai H. Henry 
Published: September 2018

AimsTo compare severity and characteristics of urologic pain, other urinary symptoms, sexual pain, psychosocial health, and the distribution and intensity of non‐urologic pain between men and women with and without Hunner lesions.MethodsAll cystoscopies were performed and documented by the same clinician to ensure uniform recognition of Hunner lesions. Intensity of urologic and sexual pain, nocturia, frequency, urgency, and bladder hypersensitivity features were assessed using validated questionnaires and numeric rating scales. The distribution and intensity of non‐urologic pain was assessed using self‐reported history, a body map diagram, and numeric rating scales. Somatic symptom burden, depression, and anxiety were compared.ResultsAmong the 150 participants, 27% (n = 41) had Hunner lesions (36% of men, 25% of women). Participants with Hunner lesions were significantly older (median age 58 vs 41, P < 0.001). They reported less intense urologic pain (5 vs 7, P = 0.024) and more nocturia (ICSI nocturia symptom score: 4 vs 3, P = 0.007). They also were less likely to have a history of irritable bowel syndrome (15% vs 36%, P = 0.013) and anxiety attacks (22% vs 44%, P = 0.013). Close to half of Hunner IC patients had non‐urologic pain outside the pelvis. There were no differences in bladder hypersensitivity features (eg, painful bladder filling) between the two groups.ConclusionsHunner lesions can be identified in both men and women. There are significant overlaps in terms of their urologic and non‐urologic presentation. Further investigation is needed on phenotypic and biological distinction between IC/BPS with and without Hunner lesions.
Dignity‐related existential distress in end‐of‐life cancer patients: Prevalence, underlying factors, and associated coping strategies
Authors: Bovero Andrea , Sedghi Nader Alessandro , Opezzo Marta , Botto Rossana , Pinto Manuela , Ieraci Valentina , Torta Riccardo 
Published: September 2018

AbstractObjectiveCancer patients often have to face increasing levels of existential distress (ED) during disease progression, especially when nearing death. This cross‐sectional study aimed to assess the prevalence of the dignity‐related existential distress (DR‐ED) in a sample of end‐of‐life cancer patients, and to explore the “existential distress” Patient Dignity Inventory (PDI‐IT) subscale internal structure and its associations with different coping strategies.MethodsTwo hundred seven cancer inpatients with a Karnofsky Performance Status ≤50 and a life expectancy of 4 months or less have been examined with the following self‐report measures: PDI‐IT, Demoralization Scale (DS‐IT) and Brief Coping Orientation to Problem Experienced (Brief‐COPE). The existential distress PDI‐IT subscale factor structure was explored through principal component analysis, and the DR‐ED associations with the other considered variables were examined through X2 tests, MANOVA, and multivariate regression analysis.ResultsDignity‐related existential distress was a problem/major problem for 18.8% of the patients, especially for the younger (F(1, 205) = 3.40; P = 0.020) and more demoralized (F(1, 205) = 20.36; P < 0.001) individuals. Factor analysis supported 2 dimensions labeled “self‐discontinuity” and “loss of personal autonomy,” accounting for 58% of the variance. Positive reframing (β = −0.146, P < 0.05) and self‐blame (β = 0.247, P < 0.001) coping styles emerged as DR‐ED significant predictors.ConclusionsThis study showed how DR‐ED is a relevant problem for patients nearing death and furthermore highlighted 2 underlying factors. Finally, the research has shown that positive reframing and self‐blame coping styles might be clinically relevant elements for interventions on ED.
Role of TEAD4 in colorectal cancer cell proliferation and analysis of its mechanism
Authors: Li Zhen , Zhang Yunjiao , Li Shu‐an , Zou Tian‐ning , Li Siyuan 
Published: September 2018

AbstractObjectiveColorectal cancer is one of the major causes of tumor‐related deaths worldwide. Transcriptional factor TEAD4 is a key factor in the YAP–TAZ signaling pathway. The aim of the present study was to investigate the effect and mechanism of TEAD4 knockdown on colorectal cancer cell proliferation.MethodsTransient transfection and a lentivirus system were used to achieve transient or stable TEAD4 knockdown in Caco2 and HT‐29 cells. Western blotting was used to detect transfection efficiency and related protein expression. The sulforhodamine B method and EdU Imaging Kits were used to determine cell viability and DNA synthesis.ResultsWestern blotting showed that knockdown of TEAD4 could increase the expression of the cell cycle protein p27 in Caco2 (F = 45.78, P < 0.001) and HT‐29 (F = 40.71, P < 0.001) cells. Sulforhodamine B assays showed that cell viability with TEAD4 knockdown was significantly decreased in Caco2 and HT‐29 cells. Results of EdU assays showed that DNA synthesis was significantly inhibited in Caco2 (Psi#2 = 0.001, Psi#3 P < 0.001) and HT‐29 cells (Psi#2 = 0.001, Psi#3 = 0.011) with knockdown of TEAD4.ConclusionsThe present study showed that TEAD4 plays an important role in cell proliferation in the Caco2 and HT‐29 colorectal cancer cell lines, partially through upregulation of p27, suggesting that TEAD4 is a potential target and biomarker for the development of novel therapeutics for colorectal cancer.
Charge density analysis attending bond torsion: A bond bundle case study
Authors: Goss Jordan , Wilson Tim , Morgenstern Amanda , Eberhart Mark 
Published: September 2018

AbstractFor nearly a century chemical understanding has been tied to the properties of bonds, although more often than not, these bond properties are rooted in molecular orbital or valence bond representations of the electronic structure. Technological advances, however, are allowing for experimental measurements of the density via high resolution X‐ray diffraction, while theoretical insights are opening the door to its direct calculation using fast and potentially versatile orbital free DFT methods. Capitalizing on these emerging tools without sacrificing orbital derived understanding has spurred a search for density based representations that deliver the same information available from the orbital perspective. We show that recent extensions of the QTAIM formalism are useful as a means of recovering some of the bond properties that have become an intrinsic part of our chemical understanding. Specifically, we compute from the density the changing bond order and bond order distribution accompanying the rotation about a double bond using the well‐studied fulvene molecule as a test case. We compare the picture that emerges from this density based perspective with that stemming from molecular orbital approaches and argue that the two viewpoints are compatible.
New perspectives in the use of horizontal wells for assessment and remediation
Authors: Koenigsberg Stephen S. , Piatt Erik R. , Robinson Lance I. 
Published: September 2018

AbstractRemediation technologies can sometimes be established, but are not prevalent, for a variety of reasons; however, they can be subject to the forces of change. In some cases, creative economics promotes new uses, but also process improvements can drive new applications and levels of acceptance. This is what is happening with the deployment of horizontal wells for site assessment and remediation. In essence, decreasing costs and a strategic shift, which can be characterized as “greater flexibility,” are two factors that have brought about a resurgence of horizontal well systems. The latter is specifically tied to moving from monolithic single well systems to segmented well systems and this article explains how this is a next‐generation advancement in site assessment and remediation. As one example, nested, discrete horizontal profiling brings additional accuracy to assessment at sites, especially those challenged by access issues and also provides more directed treatment operations with a unique flexibility in dynamic groundwater systems. Also, with horizontal nested well systems, conceptual site models can be significantly enhanced with new perspectives and, depending on the situation, may provide significant economic advantages in deployment. Finally, this technological advancement creates a new paradigm in contrast, or rather as an adjunct, to vertical profiling and high‐resolution site characterization. In fact, it opens up a new strategic approach that can be called high‐resolution contaminant distribution, because flexible horizontal segmented well systems can be used to navigate “up the spine of the plume” providing discretized data sets that illuminate contaminant distribution in new ways.
A Viologen‐Eu(III)‐Modified TiO2 Electrode for Electroswitchable Luminescence and Coloration
Authors: Kanazawa Kenji , Nakamura Kazuki , Kobayashi Norihisa 
Published: September 2018

AbstractA europium(III) [Eu(III)] complex and a viologen derivative were covalently immobilized on a porous titanium(IV) dioxide (TiO2) electrode by the interaction of carboxyl and phosphate groups with the surface, demonstrating electrochemically induced photoluminescence and coloration switching. The modulation of emission and coloration using the functional Eu(III)‐viologen modified TiO2 electrode was achieved by an electrochemical reaction between TiO2 and the viologen derivative. Luminescence control was induced via electron and energy transfer from the Eu(III) complex to TiO2 and the linked viologen derivative. The dual functional electrode showed a high on‐off emission contrast (81:1), short response time (off: 2.5 s at −0.8 V, on: 5 s at 0 V), and high stability (over 150 cycles) for both emission and coloration control.
Basic Design Elements for Tunable Cation Transport Using Picolinic‐Acid‐Incorporated Tetrapeptides
Authors: Basak Debajyoti , Saha Parichita , Madhavan Nandita 
Published: September 2018

AbstractSelective transport of cations across cell membranes is essential for various biological functions in the body. Synthetic pores that mimic the selectivity of natural ion channels are attractive for development of drugs and materials. Peptides are now emerging as attractive therapeutic agents due to their biocompatibility and ready accessibility. Herein, we report a systematic study that identifies key elements to design cation‐selective channels using tetrapeptide scaffolds. The scaffolds are derived from picolinic acid and alanine. Their ion transport activity is enhanced by hydrophobic long alkyl chains at the N‐terminus. These scaffolds are exciting as cation‐selectivity can be induced as well as switched by varying the oligoether groups at the C‐terminus.
Naphthalene Peri Annelated N,N‐ and N,O‐Heterocycles: The Effect of Heteroatom‐Guided Peri‐Fusion on Their Structure and Reactivity Profiles‐A Theoretical Endoscopy
Authors: Tzeli Demeter , Kozielewicz Pawel , Zloh Mire , Antonow Dyeison , Tsoungas Petros G. , Petsalakis Ioannis D. 
Published: September 2018

AbstractAn endoscopy of the little known peri‐fused N,N and N,O‐heterocycles is described herein using the density functional theory (DFT/B3LYP), the 2nd order Møller–Plesset perturbation theory (MP2) and the 6–311++G(d,p) basis set. Their salient structure features, their reflection onto aromaticity, depicted by means of certain aromaticity indicators (HOMA, IA, ABO, PDI, FLU, NICS) and their reactivity profiles are the theme of this investigation. N and O atom(s) and their relative arrangement in the ring perturb the σ and π frames of the structures and ultimately introduce peri strain. The incorporation of N and O atoms in the annelated ring causes a limited π‐delocalization over the whole structure, a relatively low aromatic character and a weakly polarized double bond of the heteroring. Bond length variation, in the range of 0.01‐0.05 Å, dihedral angles deviating from planarity by 1.2‐4.1 Å and compressed fusion bonds, particularly peri ones, indicate a σ frame–triggered ring distortion of 0.6‐2.6° as an “outward” stretching of the lower part of a still planar structure except one. The heteroring, as a masked enamine, hydrazone, imine, vinyl ether, oxime or imino ether, clamped onto naphthalene scaffold, appears to be the best description of this type of structures. The nature of the heteroring dictates their reactivity profile. Those housing the masked hydrazine and oxime entities exhibit a “ring α‐effect”‐guided reactivity, consistent with preliminary experimental findings.
Far‐ and Deep‐Ultraviolet Surface Plasmon Resonance Sensor
Authors: Tanabe Ichiro , Tanaka Yoshito Y. 
Published: September 2018

AbstractPlasmonics in the UV region has been widely focused because of the higher energy and the abundant electronic resonances compared to the conventional visible plasmonics. Recently, we have investigated the surface plasmon resonance (SPR) properties of the Al film, aiming for the application as refractive index sensors. Utilizing the UV lights, we expect three advantages: high sensitivity, material selectivity, and surface selectivity. By using an original attenuated total reflectance spectroscopic instrument, Al‐SPR angle and wavelength were investigated with changing environments on the Al film. Al film thickness and materials of prisms on which Al was evaporated were also important factors for the SPR properties. By optimizing the conditions, the Al film worked as a sensor both in air and in liquids. In addition, our established system expands the plasmonics into an even higher energy region than 200 nm, while the UV‐plasmonics have been studied in the wavelength region longer than 200 nm.