bluuebunny/crossref_metadata_2025_split huggingface dataset:
Measuring and Modeling Highly Accurate 15N Chemical Shift Tensors in a Peptide.
Authors: Soss Sarah E. , Flynn Peter F. , Iuliucci Robbie J. , Young Robert P. , Mueller Leonard J. , Hartman Joshua , Beran Gregory J. O. , Harper James K. 
Published: June 2017

AbstractNMR studies measuring chemical shift tensors are increasingly being employed to assign structure in difficult‐to‐crystallize solids. For small organic molecules, such studies usually focus on 13C sites, but proteins and peptides are more commonly described using 15N amide sites. An important and often neglected consideration when measuring shift tensors is the evaluation of their accuracy against benchmark standards, where available. Here we measure 15N tensors in the dipeptide glycylglycine at natural abundance using the slow‐spinning FIREMAT method with SPINAL‐64 decoupling. The accuracy of these 15N tensors is evaluated by comparing to benchmark single crystal NMR 15N measurements and found to be statistically indistinguishable. These FIREMAT experimental results are further used to evaluate the accuracy of theoretical predictions of tensors from four different density functional theory (DFT) methods that include lattice effects. The best theoretical approach provides a root mean square (rms) difference of ±3.9 ppm and is obtained from a fragment‐based method and the PBE0 density functional.
Isohexide Dinitriles: A Versatile Family of Renewable Platform Chemicals
Authors: Wu Jing , Thiyagarajan Shanmugam , Fonseca Guerra Célia , Eduard Pieter , Lutz Martin , Noordover Bart A. J. , Koning Cor E. , van Es Daan S. 
Published: June 2017

AbstractBuilding blocks of isohexides extended by one carbon atom at the 2‐ or 5‐positions are now synthetically accessible by a convenient, selective, base‐catalyzed epimerization of the corresponding dinitriles. Kinetic experiments using the strong organic base 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) show that all three possible isohexide dinitrile isomers exist within a dynamic equilibrium. An epimerization mechanism based on density functional theory (DFT) calculations is proposed. Structural identification of all three possible isomers is based on NMR analysis and single crystal x‐ray crystallography. DFT calculations confirm that the observed crystal structures are indeed the lowest energy conformers of these isohexide derivatives.
Lung cancer samples preserved in liquid medium: One step beyond cytology
Authors: Mariano Vânia Sammartino , Leal Letícia Ferro , Pastrez Paula Roberta Aguiar , Silva Estela Maria , Reis Rui Manuel , Longatto‐Filho Adhemar 
Published: June 2017

AbstractLung cancer is one of the most common cancer types in men and women worldwide with a high mortality rate. World Health Organization (WHO) classification has accepted biopsy as the primary sample for lung cancer diagnosis, pathological classification and molecular testing for management of patients, yet, the use of alternative sampling procedures is highly encouraged. Bronchial cytological samples require a less invasive collection technique and may be suitable for pathological and molecular analysis and storage in liquid medium. Furthermore, the molecular analysis of bronchial cytological samples allows the detection of molecular biomarkers, which may be useful for the selection of molecular targeted therapies. Thus, the purpose of this review is to describe the usefulness of bronchial cytological samples preserved in liquid medium from lung cancer patients for pathological diagnosis and molecular investigation.
Wet years have more caterpillars: interacting roles of plant litter and predation by ants
Authors: Karban Richard , Grof‐Tisza Patrick , Holyoak Marcel 
Published: June 2017

AbstractClimate is widely recognized as an important factor that affects temporal and spatial patterns of occurrence and abundance of herbivorous insects, although the ecological mechanisms responsible are poorly understood. We found that precipitation and standing water were positively correlated with locations and years of high abundance of caterpillars of the ranchman's tiger moth, Platyprepia virginalis. We analyzed 30 years of survey data and found that the number of large rainfall events was a better predictor of caterpillar abundance than total annual accumulation. We considered three ecological mechanisms that could drive this relationship and conducted observations and manipulative experiments to evaluate these mechanisms. (1) Rainfall facilitates more plant growth, although we found no evidence that increased food quality or quantity was causing the positive association between precipitation and caterpillar abundance. (2) Large rainfall events cause predatory ground‐nesting ants to be less abundant and we found that the number of ants that recruited to local sites was negatively associated with survival and abundance of caterpillars. (3) We found that litter from wet sites provided a refuge from ant predation; litter from wet sites was not beneficial to caterpillars in the absence of ants. Both abiotic factors (precipitation) and biotic factors (predatory ants) affected the temporal and spatial abundance of caterpillars directly and interactively. Climate models predict that rainfall will become more variable, suggesting that populations of this caterpillar may also become more variable in the future.
Potential applications and human biosafety of nanomaterials used in nanomedicine
Authors: Su Hong , Wang Yafei , Gu Yuanliang , Bowman Linda , Zhao Jinshun , Ding Min 
Published: June 2017

AbstractWith the rapid development of nanotechnology, potential applications of nanomaterials in medicine have been widely researched in recent years. Nanomaterials themselves can be used as image agents or therapeutic drugs, and for drug and gene delivery, biological devices, nanoelectronic biosensors or molecular nanotechnology. As the composition, morphology, chemical properties, implant sites as well as potential applications become more and more complex, human biosafety of nanomaterials for clinical use has become a major concern. If nanoparticles accumulate in the human body or interact with the body molecules or chemical components, health risks may also occur. Accordingly, the unique chemical and physical properties, potential applications in medical fields, as well as human biosafety in clinical trials are reviewed in this study. Finally, this article tries to give some suggestions for future work in nanomedicine research. Copyright © 2017 John Wiley & Sons, Ltd.
G‐CSF loaded nanofiber/nanoparticle composite coated with collagen promotes wound healing in vivo
Authors: Tanha Shima , Rafiee‐Tehrani Morteza , Abdollahi Mohamad , Vakilian Saeid , Esmaili Zahra , Naraghi Zahra Safaei , Seyedjafari Ehsan , Javar Hamid Akbari 
Published: June 2017

AbstractSustained release of functional growth factors can be considered as a beneficial methodology for wound healing. In this study, recombinant human granulocyte colony‐stimulating factor (G‐CSF)‐loaded chitosan nanoparticles were incorporated in Poly(ε‐caprolactone) (PCL) nanofibers, followed by surface coating with collagen type I. Physical and mechanical properties of the PCL nanofibers containing G‐CSF loaded chitosan nanoparticles PCL/NP(G‐CSF) and in vivo performance for wound healing were investigated. G‐CSF structural stability was evaluated through SDS_PAGE, reversed phase (RP) HPLC and size‐exclusion chromatography, as well as circular dichroism. Nanofiber/nanoparticle composite scaffold was demonstrated to have appropriate mechanical properties as a wound dresser and a sustained release of functional G‐CSF. The PCL/NP(G‐CSF) scaffold showed a suitable proliferation and well‐adherent morphology of stem cells. In vivo study and histopathological evaluation outcome revealed that skin regeneration was dramatically accelerated under PCL/NP(G‐CSF) as compared with control groups. Superior fibroblast maturation, enhanced collagen deposition and minimum inflammatory cells were also the beneficial properties of PCL/NP(G‐CSF) over the commercial dressing. The synergistic effect of extracellular matrix‐mimicking nanofibrous membrane and G‐CSF could develop a suitable supportive substrate in order to extensive utilization for the healing of skin wounds. © 2017 Wiley Periodicals Inc. J Biomed Mater Res Part A: 105A: 2830–2842, 2017.
Acute inhibitory effect of alpha‐mangostin on sarcoplasmic reticulum calcium‐ATPase and myocardial relaxation
Authors: Phungphong Sukanya , Kijtawornrat Anusak , de Tombe Pieter P. , Wattanapermpool Jonggonnee , Bupha‐Intr Tepmanas , Suksamrarn Sunit 
Published: June 2017

AbstractThe benefits of α‐mangostin for various tissues have been reported, but its effect on the heart has not been clarified. This study aimed to evaluate the effects of α‐mangostin on cardiac function. Using a cardiac sarcoplasmic reticulum (SR) membrane preparation, α‐mangostin inhibited SR Ca2+‐ATPase activity in a dose‐dependent manner (IC50 of 6.47 ± 0.7 μM). Its suppressive effect was specific to SR Ca2+‐ATPase but not to myofibrillar Ca2+‐ATPase. Using isolated cardiomyocytes, 50 μM of α‐mangostin significantly increased the duration of cell relengthening and increased the duration of Ca2+ transient decay, suggesting altered myocyte relaxation. The relaxation effect of α‐mangostin was also supported in vivo after intravenous infusion. A significant suppression of both peak pressure and rate of ventricular relaxation (–dP/dt) relative to DMSO infusion was observed. The results from the present study demonstrated that α‐mangostin exerts specific inhibitory action on SR Ca2+‐ATPase activity, leading to myocardial relaxation dysfunction.
AKT as Locus of Hydrogen Bond Network in Cancer
Authors: Radisavljevic Ziv 
Published: June 2017

ABSTRACTGeneration and maintenance of a cancer complexity and robustness are impossible without hydrogen element. It is essential element for the cancer signaling through the AKT locus. Hyperactivated AKT locus by a positive feedback loops from the cancer hypoxic microenvironment generates a hydrogen bond network. Such network initiates protein–protein interaction at the AKT active site and at the same time stabilizes signal propagation. A hydrogen bond network conforms an entropy/enthalpy energetic process used for the interconversion of the AKT protein in metastasis formation and maintenance. Targeting the AKT locus by the redox balance change or hydrogen balance change or proton beam radiation disrupts a hydrogen bond network leading to the disappearance of a cancer complexity and robustness causing failure of the complex energy system in solid cancers and hematological malignancy. J. Cell. Biochem. 119: 130–133, 2018. © 2017 Wiley Periodicals, Inc.
Breast Cancer Stem Cell Therapeutics, Multiple Strategies Versus Using Engineered Mesenchymal Stem Cells With Notch Inhibitory Properties: Possibilities and Perspectives
Authors: Bose Bipasha , Sen Utsav , Shenoy P Sudheer 
Published: June 2017

ABSTRACTRelapse cases of cancers are more vigorous and difficult to control due to the preponderance of cancer stem cells (CSCs). Such CSCs that had been otherwise dormant during the first incidence of cancer gradually appear as radiochemoresistant cancer cells. Hence, cancer therapeutics aimed at CSCs would be an effective strategy for mitigating the cancers during relapse. Alternatively, CSC therapy can also be proposed as an adjuvant therapy, along‐with the conventional therapies. As regenerative stem cells (RSCs) are known for their trophic effects, anti‐tumorogenicity, and better migration toward an injury site, this review aims to address the use of adult stem cells such as dental pulp derived; cord blood derived pure populations of regenerative stem cells for targeting CSCs. Indeed, pro‐tumorogenicity of RSCs is of concern and hence has also been dealt with in relation to breast CSC therapeutics. Furthermore, as notch signaling pathways are upregulated in breast cancers, and anti‐notch antibody based and sh‐RNA based therapies are already in the market, this review focuses the possibilities of engineering RSCs to express notch inhibitory proteins for breast CSC therapeutics. Also, we have drawn a comparison among various possibilities of breast CSC therapeutics, about, notch1 inhibition. J. Cell. Biochem. 119: 141–149, 2018. © 2017 Wiley Periodicals, Inc.
Effect of rMnSOD on Sodium Reabsorption in Renal Proximal Tubule in Ochratoxin A—Treated Rats
Authors: Damiano Sara , Puzio Maria V. , Squillacioti Caterina , Mirabella Nicola , Zona Enrica , Mancini Aldo , Borrelli Antonella , Astarita Carlo , Boffo Silvia , Giordano Antonio , Avallone Luigi , Florio Salvatore , Ciarcia Roberto 
Published: June 2017

ABSTRACTOchratoxin A (OTA) is a mycotoxin produced by Aspergillus and Penicillium that represent toxic real threat for human beings and animal health. In this study we evaluated the effect of a new recombinant mitochondrial manganese containing superoxide dismutase (rMnSOD) on oxidative stress and on the alterations of fluid reabsorption in renal proximal tubule (PT) as possible causes of OTA nephrotoxicity. Finally, we have measured the concentration of O2− in the kidney through dihydroethidium assay (DHE) and nitric oxide (NO) concentration through nitrites and nitrates assay. Male Sprague Dawley rats weighing 120–150 g were treated for 14 days by gavage, as follows: Control group, 12 rats received a corresponding amount of saline solution (including 10% DMSO); rMnSOD group, 12 rats treated with rMnSOD (10 µg/kg bw); OTA group, 12 rats treated with OTA (0.5 mg/kg bw) dissolved in 10% DMSO and then scaled to required volume with corn oil; rMnSOD + OTA, 12 rats treated with rMnSOD (10 µg/kg bw) plus OTA (0.5 mg/kg bw). Our results have shown that rMnSOD restores the alteration of reabsorption in PT in rats treated with OTA plus rMnSOD, probably through the response to pressure natriuresis, where nitric oxide plays a key role. Moreover, rMnSOD prevents the nephrotoxicity induced by OTA probably restoring the balance between superoxide and NO that is most probably the cause of hypertension and renal functional alterations through the inhibition of NO synthase. In conclusion these data provide important information for understanding of mechanism of toxic action of OTA. J. Cell. Biochem. 119: 424–430, 2018. © 2017 Wiley Periodicals, Inc.
Swiprosin‐1: Its Expression and Diverse Biological Functions
Authors: Thylur Ramesh P. , Gowda Raghavendra , Mishra Sumita , Jun Chang‐Duk 
Published: June 2017

ABSTRACTSwiprosin‐1/EFhd2 is a Ca2+ binding adapter protein involved in the various cellular functions. Swiprosin‐1 is significantly upregulated in a number of pathological conditions of inflammation, neurodegeneration, and cancer. Swiprosin‐1 associated with actin and its expression level amplifies the production of proinflammatory mediators and modulates the activation of transcription factor during immune cells activation. This review aims at providing an overview of the expression and function of swiprosin‐1/EFhd2 in various pathophysiological conditions. We also discussed the key role of swiprosin‐1 in immune cell activation, cell migration, apoptosis, humoral immunity, cancer invasion and metastasis, neuronal transport, and major signaling cascades. J. Cell. Biochem. 119: 150–156, 2018. © 2017 Wiley Periodicals, Inc.
Multistep Synthesis of Fluorine‐Substituted Pyrazolopyrimidine Derivatives With Higher Antibacterial Efficacy Based on In Vitro Molecular Docking and Density Functional Theory
Authors: Khan Salman A. , Asiri Abdullah M. , Rahman R. M. , Elroby Shaaban A. , Aqlan Faisal M. S. , Wani Mohmmad Y. , Sharma Kamlesh 
Published: June 2017

Some new fluorine‐substituted pyrazolopyrimidine derivatives (1.3–1.5) have been synthesized by the multistep reactions, starting from reaction of 4‐fluorophenyl malanonitrile (1) with guanidine, followed by ring closure reaction with hydrazine to give 2,4‐diamino‐6‐aryl‐pyrimidine‐5‐carbonitrile (1.2). Structure of the compounds was conformed by the spectral and elemental analyses. The antibacterial activity of these compounds was tested in vitro by the disk diffusion assay against two Gram‐positive and two Gram‐negative bacteria, and then the minimum inhibitory concentration was determined with reference to the standard drug chloramphenicol. The results showed that compound 1.5 is better at inhibiting growth as compared with chloramphenicol of both types of bacteria (gram‐positive and gram‐negative). Molecular orbital calculations were carried out by using the density functional theory. The B3LYP/6‐311 + G** level of theory was employed to explore LUMO–HOMO gap energy and charge distribution of compounds 1.1 to 1.5. Docking studies were performed on bacterial glucosamine‐6‐phosphate synthetase enzyme. Density functional theory calculations and docking studies support the in vitro findings.
Structure‐function relationships at the human spinal disc‐vertebra interface
Authors: Berg‐Johansen Britta , Fields Aaron J. , Liebenberg Ellen C. , Li Alfred , Lotz Jeffrey C. 
Published: June 2017

ABSTRACTDamage at the intervertebral disc‐vertebra interface associates with back pain and disc herniation. However, the structural and biomechanical properties of the disc‐vertebra interface remain underexplored. We sought to measure mechanical properties and failure mechanisms, quantify architectural features, and assess structure‐function relationships at this vulnerable location. Vertebra‐disc‐vertebra specimens from human cadaver thoracic spines were scanned with micro‐computed tomography (μCT), surface speckle‐coated, and loaded to failure in uniaxial tension. Digital image correlation (DIC) was used to calculate local surface strains. Failure surfaces were scanned using scanning electron microscopy (SEM), and adjacent sagittal slices were analyzed with histology and SEM. Seventy‐one percent of specimens failed initially at the cartilage endplate‐bone interface of the inner annulus region. Histology and SEM both indicated a lack of structural integration between the cartilage endplate (CEP) and bone. The interface failure strength was increased in samples with higher trabecular bone volume fraction in the vertebral endplates. Furthermore, failure strength decreased with degeneration, and in discs with thicker CEPs. Our findings indicate that poor structural connectivity between the CEP and vertebra may explain the structural weakness at this region, and provide insight into structural features that may contribute to risk for disc‐vertebra interface injury. The disc‐vertebra interface is the site of failure in the majority of herniation injuries. Here we show new structure‐function relationships at this interface that may motivate the development of diagnostics, prevention strategies, and treatments to improve the prognosis for many low back pain patients with disc‐vertebra interface injuries. © 2017 The Authors. Journal of Orthopaedic Research® Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 36:192–201, 2018.
Discrimination of haloarchaeal genera using Raman spectroscopy and robust methods for multivariate data analysis
Authors: Dina Nicoleta Elena , Leş Anda , Baricz Andreea , Szöke‐Nagy Tiberiu , Leopold Nicolae , Sârbu Costel , Banciu Horia Leonard 
Published: June 2017

In this study, we aimed at developing a rapid and non‐destructive method to predict the genus‐level taxonomic affiliation of phenotypically similar halophilic archaea of Halobacteria Class. For this purpose, representatives of three widespread and frequently isolated haloarchaeal genera (Halobacterium sp., Haloferax sp. and Halorubrum sp.) were investigated by means of Raman spectroscopy. The most relevant Raman bands exhibited at 1505, 1150 and 1000 cm−1, respectively, were ascribed to the bacterioruberin carotenoid found in haloarchaea. Due to the similar spectral profiles, a robust chemometric approach based on fuzzy principal component analysis and linear discriminant analysis for the classification of the three halophilic strains was employed, and the high‐accuracy grouping of spectral data corresponding to those strains was achieved. Copyright © 2017 John Wiley & Sons, Ltd.
Long‐term adverse effects after retropubic and robot‐assisted radical prostatectomy. Nationwide, population‐based study
Authors: Fridriksson Jón Örn , Folkvaljon Yasin , Lundström Karl‐Johan , Robinson David , Carlsson Stefan , Stattin Pär 
Published: June 2017

Background and ObjectivesSurgery for prostate cancer is associated with adverse effects. We studied long‐term risk of adverse effects after retropubic (RRP) and robot‐assisted radical prostatectomy (RARP).MethodsIn the National Prostate Cancer Register of Sweden, men who had undergone radical prostatectomy (RP) between 2004 and 2014 were identified. Diagnoses and procedures indicating adverse postoperative effects were retrieved from the National Patient Register. Relative risk (RR) of adverse effects after RARP versus RRP was calculated in multivariable analyses adjusting for year of surgery, hospital surgical volume, T stage, Gleason grade, PSA level at diagnosis, patient age, comorbidity, and educational level.ResultsA total of 11 212 men underwent RRP and 8500 RARP. Risk of anastomotic stricture was lower after RARP than RRP, RR for diagnoses 0.51 (95%CI = 0.42‐0.63) and RR for procedures 0.46 (95%CI = 0.38‐0.55). Risk of inguinal hernia was similar after RARP and RRP but risk of incisional hernia was higher after RARP, RR for diagnoses 1.48 (95%CI = 1.01‐2.16), and RR for procedures 1.52 (95%CI = 1.02‐2.26).ConclusionsThe postoperative risk profile for RARP and RRP was quite similar. However, risk of anastomotic stricture was lower and risk of incisional hernia higher after RARP.
Area requirements and landscape‐level factors influencing shrubland birds
Authors: Roberts H. Patrick , King David I. 
Published: June 2017

ABSTRACTDeclines in populations of birds that breed in disturbance‐dependent early‐successional forest have largely been ascribed to habitat loss. Clearcutting is an efficient and effective means for creating early‐successional vegetation; however, negative public perceptions of clearcutting and the small parcel size typical of private forested land in much of the eastern United States make this practice impractical in many situations. Group selection harvests, where groups of adjacent trees are removed from a mature forest matrix, may be more acceptable to the public and could provide habitat for shrubland birds. Although some shrubland bird species that occupy clearcuts are scarce or absent from smaller patches created by group selection, some of these smaller patches support shrubland species of conservation concern. The specific factors affecting shrubland bird occupancy of these smaller patches, such as habitat structure, patch area, and landscape context, are poorly understood. We sampled birds in forest openings ranging 0.02–1.29 ha to identify species‐specific minimum‐area habitat requirements and other factors affecting shrubland birds. We modeled bird occurrence in relation to microhabitat‐, patch‐, and landscape‐level variables using occupancy models. The minimum‐area requirements for black‐and‐white warblers (Mniotilta varia), common yellowthroats (Geothlypis trichas), chestnut‐sided warblers (Setophaga pensylvanica), eastern towhees (Pipilo erythrophthalmus), and gray catbirds (Dumetella carolinensis) were ≤0.23 ha, whereas indigo buntings (Passerina cyanea) and prairie warblers (S. discolor) required openings of 0.56 ha and 1.11 ha, respectively. Notably, prairie warblers were more likely to occur in openings closer to large patches of habitat such as powerline corridors, even if those openings were small in size. We concluded that, despite their inability to support the entire suite of shrubland species, small forest openings can provide habitat for several species of conservation concern if proper attention is given to promoting suitable microhabitat, patch, and landscape characteristics. © 2017 The Wildlife Society.