bluuebunny/crossref_metadata_2025_split huggingface dataset:
Missed bladder rupture following vaginal delivery: Possible role of assessing ascitic fluid creatinine levels?
Authors: Hadian Babak , Nazarpoor Samad , Garshasebi Mohammad , Zafar Mohtashami Azita 
Published: April 2020

AbstractBladder injury is the most common urological trauma following the gynecological procedure. Normal vaginal delivery candidates with unresponsive and prolonged ascites and bladder‐emptying complaints should be examined for bladder rupture. We also suggest measurement of ascitic fluid creatinine levels in these patients.
Conformation Control of Conjugated Polymers
Authors: Yu Zi‐Di , Lu Yang , Wang Jie‐Yu , Pei Jian 
Published: April 2020

AbstractIn the past few decades, conjugated polymers have aroused extensive interest in organic electronic applications. The electrical performance of conjugated polymers has a close relationship with their backbone conformation. The conformation of the polymer backbone strongly affects the πelectron delocalization along polymer chains, the energy band gap, interchain interactions, and further affects charge transport properties. To realize a rigid coplanar backbone that usually possesses efficient intrachain charge transport properties and enhanced π–π stackings, such conformation control becomes a useful strategy to achieve high‐performance (semi)conducting polymers. This minireview summarizes the most important polymer structures through conformation control at the molecular level, and then divides these rigid coplanar conjugated polymers into three categories: 1) noncovalent interactions locked conjugated polymers; 2) double‐bond linked conjugated polymers; 3) ladder conjugated polymers. The effect of the conformation control on physical nature, optoelectronic properties, and their device performance is also discussed, as well as the challenges of chemical synthesis and structural characterization.
Controlling the Length of Cooperative Supramolecular Polymers with Chain Cappers
Authors: ter Huurne Gijs M. , Chidchob Pongphak , Long Augustin , Martinez Alexandre , Palmans Anja R. A. , Vantomme Ghislaine 
Published: April 2020

AbstractThe design and the characterization of supramolecular additives to control the chain length of benzene‐1,3,5‐tricarboxamide (BTA) cooperative supramolecular polymers under thermodynamic equilibrium is unraveled. These additives act as chain cappers of supramolecular polymers and feature one face as reactive as the BTA discotic to interact strongly with the polymer end, whereas the other face is nonreactive and therefore impedes further polymerization. Such a design requires fine tuning of the conformational preorganization of the amides and the steric hindrance of the motif. The chain cappers studied are monotopic derivatives of BTA, modified by partial N‐methylation of the amides or by positioning of a bulky cyclotriveratrylene cage on one face of the BTA unit. This study not only clarifies the interplay between structural variations and supramolecular interactions, but it also highlights the necessity to combine orthogonal characterization methods, spectroscopy and light scattering, to elucidate the structures and compositions of supramolecular systems.
Allylic and Allenylic Dearomatization of Indoles Promoted by Graphene Oxide by Covalent Grafting Activation Mode
Authors: Lombardi Lorenzo , Bellini Daniele , Bottoni Andrea , Calvaresi Matteo , Monari Magda , Kovtun Alessandro , Palermo Vincenzo , Melucci Manuela , Bandini Marco 
Published: April 2020

AbstractThe site‐selective allylative and allenylative dearomatization of indoles with alcohols was performed under carbocatalytic regime in the presence of graphene oxide (GO, 10 wt % loading) as the promoter. Metal‐free conditions, absence of stoichiometric additive, environmentally friendly conditions (H2O/CH3CN, 55 °C, 6 h), broad substrate scope (33 examples, yield up to 92 %) and excellent site‐ and stereoselectivity characterize the present methodology. Moreover, a covalent activation model exerted by GO functionalities was corroborated by spectroscopic, experimental and computational evidences. Recovering and regeneration of the GO catalyst through simple acidic treatment was also documented.
Enantiomerically Pure Tetravalent Neptunium Amidinates: Synthesis and Characterization
Authors: Fichter Sebastian , Kaufmann Sebastian , Kaden Peter , Brunner Tobias S. , Stumpf Thorsten , Roesky Peter W. , März Juliane 
Published: April 2020

AbstractThe synthesis of a tetravalent neptunium amidinate [NpCl((S)‐PEBA)3] (1) ((S)‐PEBA=(S,S)‐N,N′‐bis‐(1‐phenylethyl)‐benzamidinate) is reported. This complex represents the first structurally characterized enantiopure transuranic compound. Reactivity studies with halide/pseudohalides yielding [NpX((S)‐PEBA)3] (X=F (2), Br (3), N3 (4)) have shown that the chirality‐at‐metal is preserved for all compounds in the solid state. Furthermore, they represent an unprecedented example of a structurally characterized metal–organic Np complex featuring a Np−Br (3) bond. In addition, 4 is the only reported tetravalent transuranic azide. All compounds were additionally characterized in solution using para‐magnetic NMR spectroscopy showing an expected C3‐symmetry at low temperatures.
Folding Assessment of Incorporation of Noncanonical Amino Acids Facilitates Expansion of Functional‐Group Diversity for Enzyme Engineering
Authors: Drienovská Ivana , Gajdoš Matúš , Kindler Alexia , Takhtehchian Mahsa , Darnhofer Barbara , Birner‐Gruenberger Ruth , Dörr Mark , Bornscheuer Uwe T. , Kourist Robert 
Published: April 2020

AbstractProtein design is limited by the diversity of functional groups provided by the canonical protein „building blocks“. Incorporating noncanonical amino acids (ncAAs) into enzymes enables a dramatic expansion of their catalytic features. For this, quick identification of fully translated and correctly folded variants is decisive. Herein, we report the engineering of the enantioselectivity of an esterase utilizing several ncAAs. Key for the identification of active and soluble protein variants was the use of the split‐GFP method, which is crucial as it allows simple determination of the expression levels of enzyme variants with ncAA incorporations by fluorescence. Several identified variants led to improved enantioselectivity or even inverted enantiopreference in the kinetic resolution of ethyl 3‐phenylbutyrate.
Inferring kinetic dissolution of NaCl in aqueous glycol solution using a low‐cost apparatus and population balance model
Authors: Curitiba Marcellos Caio Felippe , Senna Figueiredo Camila M. , Tavares Frederico W. , de Souza Maurício Bezerra , da Cunha Lage Paulo Laranjeira , da Silva João Francisco Cajaiba , Secchi Argimiro R. , Barreto Amaro G. 
Published: April 2020

AbstractAn experimental methodology for inferring brine dissolution rate in monoethylene glycol (MEG) solutions at different temperatures using a webcam combined with a mathematical model is presented. The measurement system is designed to track the RGB (red, green, and blue) colour variations during the dissolution process. A dynamic model augmented with the population balance equation is applied to describe the dissolution process. Moreover, the dissolution rate is consistently related to the temperature and MEG concentration through the driving force based on the Gibbs energy and chemical affinity. The applied low‐cost measurement apparatus proved to be a useful resource for tracking the dissolution dynamics in a wide range of undersaturation.
A medical image segmentation method based on hybrid active contour model with global and local features
Authors: Li Yuanmu , Wang Zhanqing 
Published: April 2020

SummaryIn this article, we proposed an improved region‐based active contour model based on curve evolution theory and variational level set method. Our method can be used to segment image with intensity inhomogeneity, such as medical computed tomography images. Our model contains a local intensity fitting term that makes the evolution curve stop at boundaries of the object and a global expansion term that makes the evolution curve have the chance to get to every location in the image. Therefore, our model has a good performance to solve the problem of flexible initialization, which exposed in region‐scalable fitting energy model. For the curvature term that occurs during the calculation, we calculated it with a more efficiency and accuracy method. Compared with other models, our model shows good segmentation result and less computation expense. Finally, we will present some experimental results, especially the result of contrast experiment.
Identification of the Irreversible Redox Behavior of Highly Fluorescent Benzothiadiazoles
Authors: Rietsch Philipp , Sobottka Sebastian , Hoffmann Katrin , Hildebrandt Pascal , Sarkar Biprajit , Resch‐Genger Ute , Eigler Siegfried 
Published: April 2020

AbstractRedox switches are applied in various fields of research, including molecular lifts, electronic devices and sensors. Switching the absorbance between UV and Vis/NIR by redox processes is of interest for applications in light harvesting or biomedicine. Here, we present a series of push‐pull benzothiadiazole derivatives with high fluorescence quantum yields in solution and in the crystalline solid state. Spectroelectrochemical analysis reveals the switching of UV‐absorption in the neutral state to Vis/NIR absorption in the reduced state. We identify the partial irreversibility of the switching process, which appears to be reversible on the cyclic voltammetry timescale.
Pulmonary small cell carcinoma: Review, common and uncommon differentials, genomics and management
Authors: Sung Simon , Shirazi Maryam , Shu Catherine A. , Crapanzano John P. , Saqi Anjali 
Published: April 2020

AbstractLung cancer is the leading cause of cancer‐related death worldwide. It is divided into sub‐categories based upon morphology, immunostaining pattern, biology, molecular profile, and/or treatment options. Up until the early 2000s when driver mutations with targeted therapies were identified in a subset of adenocarcinomas, the most critical distinction of lung carcinomas was driven by differences in treatment between small cell carcinoma (SCC) and nonsmall cell lung carcinoma (NSCLC). The distinction between SCC and NSCLC remains critical in the 21st century for management, especially for advanced stage cancer. In the vast majority of cases, morphological features are sufficient to separate SCC from other types of lung cancers. In some instances, however, cytomorphological features and immunohistochemical overlap with other tumors, limited sample availability, and/or crush artifact pose diagnostic challenges. The aim of this review is to highlight salient features of SCC and ancillary studies to distinguish it from common and uncommon potential mimickers, as well as provide updates in genomics and management.
An African bat in Europe, Plecotus gaisleri: Biogeographic and ecological insights from molecular taxonomy and Species Distribution Models
Authors: Ancillotto Leonardo , Bosso Luciano , Smeraldo Sonia , Mori Emiliano , Mazza Giuseppe , Herkt Matthias , Galimberti Andrea , Ramazzotti Fausto , Russo Danilo 
Published: April 2020

AbstractBecause of the high risk of going unnoticed, cryptic species represent a major challenge to biodiversity assessments, and this is particularly true for taxa that include many such species, for example, bats. Long‐eared bats from the genus Plecotus comprise numerous cryptic species occurring in the Mediterranean Region and present complex phylogenetic relationships and often unclear distributions, particularly at the edge of their known ranges and on islands. Here, we combine Species Distribution Models (SDMs), field surveys and molecular analyses to shed light on the presence of a cryptic long‐eared bat species from North Africa, Plecotus gaisleri, on the islands of the Sicily Channel, providing strong evidence that this species also occurs in Europe, at least on the islands of the Western Mediterranean Sea that act as a crossroad between the Old Continent and Africa. Species Distribution Models built using African records of P. gaisleri and projected to the Sicily Channel Islands showed that all these islands are potentially suitable for the species. Molecular identification of Plecotus captured on Pantelleria, and recent data from Malta and Gozo, confirmed the species' presence on two of the islands in question. Besides confirming that P. gaisleri occurs on Pantelleria, haplotype network reconstructions highlighted moderate structuring between insular and continental populations of this species. Our results remark the role of Italy as a bat diversity hotspot in the Mediterranean and also highlight the need to include P. gaisleri in European faunal checklists and conservation directives, confirming the usefulness of combining different approaches to explore the presence of cryptic species outside their known ranges—a fundamental step to informing conservation.
Effects of canagliflozin in patients with type 2 diabetes and chronic heart failure: a randomized trial (CANDLE)
Authors: Tanaka Atsushi , Hisauchi Itaru , Taguchi Isao , Sezai Akira , Toyoda Shigeru , Tomiyama Hirofumi , Sata Masataka , Ueda Shinichiro , Oyama Jun‐ichi , Kitakaze Masafumi , Murohara Toyoaki , Node Koichi ,   CANDLE Trial Investigators
Published: April 2020

AbstractAimsLittle is known about the impact of sodium glucose co‐transporter 2 (SGLT2) inhibitors on cardiac biomarkers, such as natriuretic peptides, in type 2 diabetes (T2D) patients with concomitant chronic heart failure (CHF). We compared the effect of canagliflozin with glimepiride, based on changes in N‐terminal pro‐brain natriuretic peptide (NT‐proBNP), in that patient population.Methods and resultsPatients with T2D and stable CHF, randomized to receive canagliflozin 100 mg or glimepiride (starting‐dose: 0.5 mg), were examined using the primary endpoint of non‐inferiority of canagliflozin vs. glimepiride, defined as a margin of 1.1 in the upper limit of the two‐sided 95% confidence interval (CI) for the group ratio of percentage change in NT‐proBNP at 24 weeks. Data analysis of 233 patients showed mean left ventricular ejection fraction (LVEF) at randomization was 57.6 ± 14.6%, with 71% of patients having a preserved LVEF (≥50%). Ratio of NT‐proBNP percentage change was 0.48 (95% CI, −0.13 to 1.59, P = 0.226) and therefore did not meet the prespecified non‐inferiority margin. However, NT‐proBNP levels did show a non‐significant trend lower in the canagliflozin group [adjusted group difference; −74.7 pg/mL (95% CI, −159.3 to 10.9), P = 0.087] and also in the subgroup with preserved LVEF [−58.3 (95% CI, −127.6 to 11.0, P = 0.098]).ConclusionsThis study did not meet the predefined primary endpoint of changes in NT‐proBNP levels, with 24 weeks of treatment with canagliflozin vs. glimepiride. Further research is warranted to determine whether patients with heart failure with preserved ejection fraction, regardless of diabetes status, could potentially benefit from treatment with SGLT2 inhibitors.
Nurse shark T‐cell receptors employ somatic hypermutation preferentially to alter alpha/delta variable segments associated with alpha constant region
Authors: Ott Jeannine A. , Harrison Jenna , Flajnik Martin F. , Criscitiello Michael F. 
Published: April 2020

AbstractIn addition to canonical TCR and BCR, cartilaginous fish assemble noncanonical TCR that employ various B‐cell components. For example, shark T cells associate alpha (TCR‐α) or delta (TCR‐δ) constant (C) regions with Ig heavy chain (H) variable (V) segments or TCR‐associated Ig‐like V (TAILV) segments to form chimeric IgV‐TCR, and combine TCRδC with both Ig‐like and TCR‐like V segments to form the doubly rearranging NAR‐TCR. Activation‐induced (cytidine) deaminase‐catalyzed somatic hypermutation (SHM), typically used for B‐cell affinity maturation, also is used by TCR‐α during selection in the shark thymus presumably to salvage failing receptors. Here, we found that the use of SHM by nurse shark TCR varies depending on the particular V segment or C region used. First, SHM significantly alters alpha/delta V (TCRαδV) segments using TCR αC but not δC. Second, mutation to IgHV segments associated with TCR δC was reduced compared to mutation to TCR αδV associated with TCR αC. Mutation was present but limited in V segments of all other TCR chains including NAR‐TCR. Unexpectedly, we found preferential rearrangement of the noncanonical IgHV‐TCRδC over canonical TCR αδV‐TCRδC receptors. The differential use of SHM may reveal how activation‐induced (cytidine) deaminase targets V regions.
Health workers' safety during tracheostomy in COVID‐19 patients: Homemade protective screen
Authors: Cordier Pierre‐Yves , De La Villeon Bruno , Martin Edouard , Goudard Yvain , Haen Pierre 
Published: April 2020

AbstractAs an aerosol and droplets generating procedure, tracheostomy increases contamination risks for health workers in the coronavirus disease context. To preserve the health care system capacity and to limit virus cross‐transmission, protecting caregivers against coronavirus infection is of critical importance. We report the use of external fixator equipment to set up a physical interface between the patient's neck and the caregiver performing a tracheostomy in COVID‐19 patients. Once the metal frame set in place, it is wrapped with a single‐use clear and sterile cover for surgical C‐arm. This installation is simple, easy, and fast to achieve and can be carried out with inexpensive material available in every hospital. This physical interface is an additional safety measure that prevents the direct projection of secretions or droplets. It should, of course, only be considered as a complement to strict compliance with barrier precautions and personal protective equipment.
Subchronic (90‐day) toxicity assessment of Somacy‐FP100, a lipopolysaccharide‐containing fermented wheat flour extract from Pantoea agglomerans
Authors: Phipps Kirt R. , Sulaiman Christina , Simon Ryan , Holalagoudar Shivakumar , Kohchi Chie , Nakata Yoko 
Published: April 2020

AbstractPantoea agglomerans is a Gram‐negative bacterium that is ubiquitous in the environment, colonizing animals, humans, and numerous plants, including cotton and wheat. A lipopolysaccharide‐containing fermented wheat flour extract from P. agglomerans (Somacy‐FP100) is proposed for use as a food ingredient for individuals seeking foods for healthy aging. Previously published genotoxicity studies with Somacy‐FP100 reported its lack of genotoxicity in vitro, but a subchronic toxicity study has not yet been performed. Therefore, to demonstrate the safety of Somacy‐FP100 for use as a food ingredient, a 90‐day oral (gavage) toxicity study in rats was conducted. Male and female Han Wistar rats were administered vehicle (control) or Somacy‐FP100 at 500, 1500, or 4500 mg/kg body weight/day at a dose volume of 10 mL/kg body weight, for at least 90 days. No test article‐related adverse clinical signs or effects on body weight, food consumption, or clinical pathology were observed, and there were no macroscopic or microscopic findings related to the test article. Therefore, 4500 mg/kg body weight/day (the highest dose tested and highest feasible dose) was established as the no‐observed‐adverse‐effect level. This absence of subchronic toxicity, in addition to the previously reported lack of genotoxicity, demonstrates the safety of Somacy‐FP100 for use as a food ingredient.
Structural binding perspectives of a major tobacco alkaloid, nicotine, and its metabolite cotinine with sex‐steroid nuclear receptors
Authors: Rehan Mohd , Ahmad Ejaz , Beg Mohd A. 
Published: April 2020

AbstractGlobally, more than a billion people smoke tobacco making it one of the biggest public health problems and a leading risk factor for global deaths. Nicotine, the main alkaloid in tobacco, has been shown to be associated with fertility problems in men and women. The adverse effects of tobacco/nicotine on reproduction have been attributed to deleterious effects on gametes, steroidogenic imbalance, and competitive inhibition of steroid receptors. The present study reports the sex‐steroid receptor disrupting potential of nicotine and its major metabolite cotinine against the estrogen receptor‐α (ERα), ERβ, androgen receptor (AR), and progesterone receptor (PR). Both ligands bound in the ligand‐binding pockets of ERα, ERβ, AR and PR and formed important hydrophobic interactions with different amino‐acid residues of receptors. Most of the residues of ERα, ERβ, AR and PR interacting with nicotine and cotinine were common with those of native/bound ligands of the receptors. Interacting amino acids most important for binding of nicotine and cotinine with each receptor were identified by loss in accessible surface area. Amino acids Leucine‐346, Leucine‐384 and Phenylalanine‐404 for ERα; Methionine‐336, Phenylalanine‐356 and Leucine‐298 for ERβ; and Leucine‐704 and Leucine‐718, respectively for AR and PR, were the most important residues for binding with nicotine and cotinine. Among the four receptors, based on the number of interactions, nicotine and cotinine had greater potential to interfere in the signaling of ERβ. In conclusion, the results suggested that nicotine and cotinine bind and interact with sex‐steroid nuclear receptors and have potential to interfere in the steroid hormone signaling resulting in reproductive dysfunction.
Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) complexes of OONN Schiff base ligand
Authors: Moustafa Hussein , Mohamed Gehad G. , Elramly Salwa 
Published: April 2020

AbstractThe binuclear complexes of Fe(III), Co(II), Ni(II), Cu(II), and Zn(II) with 2‐[3‐(benzylideneamino)‐2‐(benzylidenehydrazono)‐4‐oxothiazolidin‐5‐yl] acetic acid ligand (HL) were prepared and their stoichiometry was determined by elemental analysis. The stereochemistry of the studied binuclear metal complexes was confirmed by analyzing their infrared spectra, 1H NMR, and magnetic moment. Thermal decomposition studies of the binuclear complexes have been performed to demonstrate the status of water molecules present in these binuclear complexes and their general decomposition pattern. The equilibrium geometry of the ligand and its studied complexes were calculated using density function theory (DFT) calculations at the B3LYP/GENECP level of the theory. The results show that the ligand and its complexes are nonplanar structures as indicated from the values of the dihedral angles. Extent of distortion from regular geometry has been performed and discussed in terms of the values of the angles between the central metals and the coordinated sites. The EHOMO and ELUMO energies of the studied ligand and its complexes are used to calculate the global properties. The nonlinear optical parameters (NLO), anisotropy of the polarizibility (Δα), and the mean first‐order hyperpolarizability (<β>) were calculated. The (<β>) values were compared with Urea as a reference molecule and the results of (<β>) values showed that the ligand and the studied complexes have good NLO behaviors.