bluuebunny/crossref_metadata_2025_split huggingface dataset:
Principal component analysis modeling of Head‐and‐Neck anatomy using daily Cone Beam‐CT images
Authors: Tsiamas Panagiotis , Bagher‐Ebadian Hassan , Siddiqui Farzan , Liu Chang , Hvid Christian A. , Kim Joshua P. , Brown Stephen L. , Movsas Benjamin , Chetty Indrin J. 
Published: October 2018

PurposeTo model Head‐and‐Neck anatomy from daily Cone Beam‐CT (CBCT) images over the course of fractionated radiotherapy using principal component analysis (PCA).Methods and materialsEighteen oropharyngeal Head‐and‐Neck cancer patients, treated with volumetric modulated arc therapy (VMAT), were included in this retrospective study. Normal organs, including the parotid and submandibular glands, mandible, pharyngeal constrictor muscles (PCMs), and spinal cord were contoured using daily CBCT image datasets. PCA models for each organ were developed for individual patients (IP) and the entire patient cohort/population (PP). The first 10 principal components (PCs) were extracted for all models. Analysis included cumulative and individual PCs for each organ and patient, as well as the aggregate organ/patient population; comparisons were made using the root‐mean‐square (RMS) of the percentage predicted spatial displacement for each PC.ResultsOverall, spatial displacement prediction was achieved at the 95% confidence level (CL) for the first three to four PCs for all organs, based on IP models. For PP models, the first four PCs predicted spatial displacement at the 80%–89% CL. Differences in percentage predicted spatial displacement between mean IP models for each organ ranged from 2.8% ± 1.8% (1st PC) to 0.6% ± 0.4% (4th PC). Differences in percentage predicted spatial displacement between IP models vs the mean IP model for each organ based on the 1st PC were <12.9% ± 6.9% for all organs. Differences in percentage predicted spatial displacement between IP and PP models based on all organs and patients for the 1st and 2nd PC were <11.7% ± 2.2%.ConclusionTissue changes during fractionated radiotherapy observed on daily CBCT in patients with Head‐and‐Neck cancers, were modeled using PCA. In general, spatial displacement for organs‐at‐risk was predicted for the first 4 principal components at the 95% confidence levels (CL), for individual patient (IP) models, and at the 80%–89% CL for population‐based patient (PP) models. The IP and PP models were most predictive of changes in glandular organs and pharyngeal constrictor muscles, respectively.
Structural modeling and mRNA expression of epididymal β‐defensins in GnRH immunized boars: A model for secondary hypogonadism in man
Authors: Weber Augusto , Alves Jayse , Abujamra Ana L. , Bustamante‐Filho Ivan C. 
Published: October 2018

AbstractHuman secondary hypogonadism is associated with impaired testicular function, however, little is known about its impact on sperm epididymal maturation. Endocrine disruption in the epididymis could impair the secretion of key proteins, such as β‐defensins, responsible for spermatozoa maturation during epididymal transit. This study evaluated the sequence and structural similarities between porcine epididymal β‐defensins porcine β‐defensins (pBD3), pBD4, pBD125, and pEP2C and their human homologs using bioinformatics integrated with information derived from protein databanks. We then verified whether the expression ofpBD3, pBD4,pBD125, andpEP2Cgenes in the testis and epididymis are influenced by disruption of the hypothalamic‐pituitary‐testicular (HPT) axis in a pig model for male human secondary hypogonadism. Upon modeling porcine β‐defensins, structural and functional analysis confirmed the presence of motifs associated with β‐defensin function, validating the models generated in silico. pBD3 and pBD4 showed acceptable structural alignments with human β‐defensins BDEF103 and BDEF110, respectively. In addition, evaluation of hormonal regulation of β‐defensins was assessed by analyzing the expression of these four β‐defensins in adult boars immunized against gonadotropin‐releasing hormone (GnRH). Our results indicate that HPT axis disruption modifies the expression ofpBD3, pBD4, pBD125, andpEP2Cin boar testis and epididymis, suggesting an endocrine‐dependent regulation of β‐defensins in swine epididymis. In conclusion, sequence and structural homology between pBD3 and pBD4 and their human homologs provide a basis for using the pig as a model for the study of human secondary hypogonadism. Further investigation of the human homologs in hypogonadal men could elucidate the connections between fertility and epididymal expression of β‐defensins.
Validation of Peptide Identification Results in Proteomics Using Amino Acid Counting
Authors: Bubis Julia A. , Levitsky Lev I. , Ivanov Mark V. , Gorshkov Mikhail V. 
Published: October 2018

AbstractThe efficiency of proteome analysis depends strongly on the configuration parameters of the search engine. One of the murkiest and nontrivial among them is the list of amino acid modifications included for the search. Here, an approach called AA_stat is presented for uncovering the unexpected modifications of amino acid residues in the protein sequences, as well as possible artifacts of data acquisition or processing, in the results of proteome analyses. The approach is based on comparing the amino acid frequencies of different mass shifts observed using the open search method introduced recently. In this work, the proposed approach is applied to publicly available proteomic data is applied and its feasibility for discovering unaccounted modifications or possible pitfalls of the identification workflow is demonstrated.The algorithm is implemented in Python as an open‐source command‐line tool available at https://bitbucket.org/J_Bale/aa_stat/.
A real‐time WAXS and SAXS study of the structural evolution of LLDPE bubble
Authors: Zhao Haoyuan , Zhang Qianlei , Ali Samard , Li Lifu , Lv Fei , Ji Youxin , Su Fengmei , Meng Lingpu , Li Liangbin 
Published: October 2018

ABSTRACTThe structural evolution during the linear low‐density polyethylene (LLDPE) film blowing has been studied with a combination of home‐made blown film apparatus and in situ WAXS and SAXS measurements. Analyzing the evolution of orientation parameters and crystallinity of the bubble shows that the blown film process can be divided into four regions. Distinctly different features of LLDPE bubble are observed in first three regions: (a) lower orientation parameters during the blown film process, (b) higher crystallinity is required to form a deformable crystalline crosslinked network, and (c) the weaker stretching effect and the difficulty of reaching equilibrium when the crystal network deforms. These results should provide a basis for understanding the poor blown film stability of LLDPE. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 1404–1412
Clinical Proteomics for Post‐Hematopoeitic Stem Cell Transplantation Outcomes
Authors: Paczesny Sophie , Metzger Jochen 
Published: October 2018

AbstractAllogeneic hematopoietic stem cell transplantation (HSCT) is the most effective form of tumor immunotherapy available to date. However, while HSCT can induce beneficial graft‐versus‐leukemia (GVL) effect, the adverse effect of graft‐versus‐host disease (GVHD), which is closely linked to GVL, is the major source of morbidity and mortality following HSCT. Until recently, available diagnostic and staging tools frequently fail to identify those at higher risk of disease progression or death. Furthermore, there are shortcomings in the prediction of the need for therapeutic interventions or the response rates to different forms of therapy. The past decade has been characterized by an explosive evolution of proteomics technologies, largely due to important advances in high‐throughput MS instruments and bioinformatics. Building on these opportunities, blood biomarkers have been identified and validated both as promising diagnostic tools, prognostic tools that risk‐stratify patients before future occurrence of GVHD and as predictive tools for responsiveness to GVHD therapy and non‐relapse mortality. These biomarkers might facilitate timely and selective therapeutic intervention. This review summarizes current information on clinical proteomics for GVHD as well as other complications following HSCT. Finally, it proposes future directions for the translation of clinical proteomics to discovery of new potential therapeutic targets to the development of drugs.
On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations
Authors: Ortolan Alexandre O. , Charistos Nicholas D. , Guajardo‐Maturana Raul , Ulloa Carolina Olea , Caramori Giovanni F. , Parreira Renato L. T. , Muñoz‐Castro Alvaro 
Published: October 2018

AbstractCation–π interactions are noncovalent forces with essential roles in the stability of protein structures, molecular recognition, and host–guest chemistry. In this work, we discuss the formation of cation–π complexes involving one of the smallest characterized nanobelts to date, given [6.8]3cyclacene, by using relativistic DFT‐D calculations. Such nanobelt exhibits a noteworthy all‐sp2 carbon backbone, leading to a rigid and confined host framework. Our results reveal that the inclusion of representative cations, such as Ag+ and Sn2+, appears to be plausible, revealing that it is feasible to obtain these compounds experimentally. Such systems involves two contrasting coordination modes, where the Ag+ cation remains coordinated in the upper face of the nanobelt, whereas the Sn2+ is able to be located at the center of the structure. In addition, the coordination of isoelectronic Cd2+ and In+ was also discussed. Moreover, the bonding characteristics of the resulting cation–π interaction show that the π‐orbitals from the nanobelt 1 are able to moderate the charge transfer, according to the selected cation, which can be seen as an interesting strategy to tune the amount of charge of the π‐backbone in nanobelts. We envisage that the use of more rigid host in the formation of cation–π interactions will be beneficial to gain a better understanding about the metal coordination and also to tune the capabilities of related nanobelts or nanotubes sections.
Functionalized MoS2 Nanovehicle with Near‐Infrared Laser‐Mediated Nitric Oxide Release and Photothermal Activities for Advanced Bacteria‐Infected Wound Therapy
Authors: Gao Qin , Zhang Xiao , Yin Wenyan , Ma Dongqing , Xie Changjian , Zheng Lirong , Dong Xinghua , Mei Linqiang , Yu Jie , Wang Chaozhan , Gu Zhanjun , Zhao Yuliang 
Published: October 2018

AbstractThe rising dangers of bacterial infections have created an urgent need for the development of a new generation of antibacterial nanoagents and therapeutics. A new near‐infrared 808 nm laser‐mediated nitric oxide (NO)‐releasing nanovehicle (MoS2‐BNN6) is reported through the simple assembly of α‐cyclodextrin‐modified MoS2 nanosheets with a heat‐sensitive NO donor N,N′‐di‐sec‐butyl‐N,N′‐dinitroso‐1,4‐phenylenediamine (BNN6) for the rapid and effective treatment of three typical Gram‐negative and Gram‐positive bacteria (ampicillin‐resistant Escherichia coli, heat‐resistant Escherichia faecalis, and pathogen Staphylococcus aureus). This MoS2‐BNN6 nanovehicle has good biocompatibility and can be captured by bacteria to increase opportunities of NO diffusion to the bacterial surface. Once stimulated by 808 nm laser irradiation, the MoS2‐BNN6 nanovehicle not only exhibits photothermal therapy (PTT) efficacy but also can precisely control NO release, generating oxidative/nitrosative stress. The temperature‐enhanced catalytic function of MoS2 induced by 808 nm laser irradiation simultaneously accelerates the oxidation of glutathione. This acceleration disrupts the balance of antioxidants, ultimately resulting in significant DNA damage to the bacteria. Within 10 min, the MoS2‐BNN6 with enhanced PTT/NO synergetic antibacterial function achieves >97.2% inactivation of bacteria. The safe synergetic therapy strategy can also effectively repair wounds through the formation of collagen fibers and elimination of inflammation during tissue reconstruction.
Vessel‐on‐a‐chip with Hydrogel‐based Microfluidics
Authors: Nie Jing , Gao Qing , Wang Yidong , Zeng Jiahui , Zhao Haiming , Sun Yuan , Shen Jian , Ramezani Hamed , Fu Zhenliang , Liu Zhenjie , Xiang Meixiang , Fu Jianzhong , Zhao Peng , Chen Wei , He Yong 
Published: October 2018

AbstractHydrogel structures equipped with internal microchannels offer more in vivo‐relevant models for construction of tissues and organs in vitro. However, currently used microfabrication methods of constructing microfluidic devices are not suitable for the handling of hydrogel. This study presents a novel method of fabricating hydrogel‐based microfluidic chips by combining the casting and bonding processes. A twice cross‐linking strategy is designed to obtain a bonding interface that has the same strength with the hydrogel bulk, which can be applied to arbitrary combinations of hydrogels. It is convenient to achieve the construction of hydrogel structures with channels in branched, spiral, serpentine, and multilayer forms. The experimental results show that the combination of gelatin and gelatin methacrylate (GelMA) owns the best biocompatibility and can promote cell functionalization. Based on these, a vessel‐on‐a‐chip system with vascular function in both physiological and pathological situations is established, providing a promising model for further investigations such as vascularization, vascular inflammation, tissue engineering, and drug development. Taken together, a facile and cytocompatible approach is developed for engineering a user‐defined hydrogel‐based chip that can be potentially useful in developing vascularized tissue or organ models.
Remodeling Tumor‐Associated Macrophages and Neovascularization Overcomes EGFRT790M‐Associated Drug Resistance by PD‐L1 Nanobody‐Mediated Codelivery
Authors: Yin Weimin , Yu Xiaolu , Kang Xuejia , Zhao Yuge , Zhao Pengfei , Jin Hongyue , Fu Xuhong , Wan Yakun , Peng Chengyuan , Huang Yongzhuo 
Published: October 2018

AbstractPrecision medicine has made a significant breakthrough in the past decade. The most representative success is the molecular targeting therapy of epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors (TKI) in non‐small‐cell lung cancer (NSCLC) with oncogenic drivers, approved by the US Food and Drug Administration (FDA) as first‐line therapeutics for substituting chemotherapy. However, the rapidly developed TKI resistance invariably leads to unsustainable treatment. For example, gefitinib is the first choice for advanced NSCLC with EGFR mutation, but most patients would soon develop secondary EGFRT790M mutation and acquire gefitinib resistance. TKI resistance is a severe emergency issue to be solved in NSCLC, but there are a few investigations of nanomedicine reported to address this pressing problem. To overcome EGFRT790M‐associated drug resistance, a novel delivery and therapeutic strategy is developed. A PD‐L1 nanobody is identified, and first used as a targeting ligand for liposomal codelivery. It is found that simvastatin/gefitinib combination nanomedicine can remodel the tumor microenvironment (e.g., neovascularization regulation, M2‐macrophage repolarization, and innate immunity), and display the effectiveness of reversing the gefitinib resistance and enhancing the EGFRT790M‐mutated NSCLC treatment outcomes. The novel simvastatin‐based nanomedicine provides a clinically translatable strategy for tackling the major problem in NSCLC treatment and demonstrates the promise of an old drug for new application.
In Situ Fabrication of Heterostructure on Nickel Foam with Tuned Composition for Enhancing Water‐Splitting Performance
Authors: Zheng Xuerong , Zhang Yiqi , Liu Hui , Fu Dongju , Chen Jianjun , Wang Jihui , Zhong Cheng , Deng Yida , Han Xiaopeng , Hu Wenbin 
Published: October 2018

AbstractExploiting economical and high‐performance bifunctional electrocatalysts toward hydrogen and oxygen evolution reactions (HER/OER) is at the heart of overall water splitting in large‐scale application. Herein, an in situ and stepwise strategy for synthesizing core–shell Ni3(S1−xSex)2@NiOOH (0 ≤ x ≤ 1) nanoarray heterostructures on nickel foam with tailored compositions for enhancing water‐splitting performance is reported. A series of Ni3(S1−xSex)2 nanostructures is firstly grown on nickel foam via an in situ reaction in a heated polyol solution system. Ni3(S1−xSex)2@NiOOH nanocomposites are subsequently prepared via electrochemical oxidation and the oxidation degree is systematically investigated by varying the oxidation time. Benefitting from the vertical standing architecture, abundant exposed active sites, and synergetically interfacial enhancement, Ni3(S0.25Se0.75)2@NiOOH heterojunctions with electrochemical polarization for 8 h exhibit superior HER and OER behaviors, achieving a water‐splitting current density of 10 mA cm−2 at a small overpotential of 320 mV as well as boosted reaction kinetics and long‐term stability. This work should shed light on the controllable synthesis of metal‐based hybrid materials and provide a promising direction for developing the highest‐performing electrocatalysts based on interfacial and heterostructural regulation for advanced electrochemical energy conversion technologies.
Confederated cloud—Design consideration for distributed utility computing system of systems
Authors: Biran Yahav , Dubow Joel 
Published: October 2018

AbstractCloud computing advances are enabling cloud tenants to host and process their IT workloads in a safe, reliable, and cost‐effective manner. Federated clouds help cloud providers optimize many business parameters such as computing resource utilization. Federated clouds also introduce business risks to the cloud service providers in situations such as fewer tenants and various misconfigurations of energy, security, and load distributions arising from some possible sources. Yet, the rewards outweigh the risks when the federation implementation is successful. This work proposes a different optimization strategy that clarifies and simplifies the design trade‐offs for the federated clouds. We call it the confederated cloud. The strategy for it is to recruit customer groups by providing domain‐specific market services to cloud service providers that have a common market or business characteristics. The confederation will be a federation of domain groups, thus forming an interim cloud grouping that will retain domain‐specific privacy and governance structure and the confederation structure provide services on a more efficient or cost‐effective basis than can individual cloud service providers. This will help cloud providers to increase their datacenter resource utilization, decrease energy consumption, improve security, and increase revenue. It will also support cloud providers to set a suitable computing price for each computing resource type that matches the specific cloud group domain requirements. This solution will enable domain‐specific tenant groups to maintain controls of what is competitively vital and pool resources where it is advantageous to do so. The resulting architecture will be a decentralized system of systems that offers multicloud providers deployments similar to the centralized cloud federation. The confederated cloud system of systems described introduces a new system of systems engineering paradigm that uses domain‐specific governance for otherwise open communities that collaborate throughout the system life cycle. The confederated cloud system of systems has no explicit requirements for the cloud provider and cloud providers will not be aware of confederation services. Nonetheless, cloud providers might also not be aware of such system of systems. A successful confederated cloud will advantageous for many tenants. This enhanced market for cloud providers will help advance and drive the evolution of federated clouds.
Crosscutting concepts and achievement: Is a sense of size and scale related to achievement in science and mathematics?
Authors: Chesnutt Katherine , Gail Jones M. , Corin Elysa N. , Hite Rebecca , Childers Gina , Perez Mariana P. , Cayton Emily , Ennes Megan 
Published: October 2018

AbstractThis study examined the relationship between students' (N = 229) concepts of size and scale and students' achievement in science and mathematics over a 3‐year period. Size and scale are considered one of the big ideas in science that permeates disparate science and mathematics content areas, yet little is known about the relationship between students' conceptualization of size and scale and students' achievement in science and mathematics. The study used a modified panel longitudinal design to follow the same class of students over a 3‐year period. The goal was to explore whether understandings of size and scale are related to achievement in mathematics and science. Results indicated a strong positive significant relationship existed between students' understanding of size and scale and students' science achievement in grades 5 and 8. There was a positive significant relationship between students' concepts of size and scale and students' mathematics achievement in grades 5, 6, 7, and 8. An examination of the relationships is included as well as a discussion of the integration of crosscutting concepts into science and mathematics instruction as a way to support deep learning.
The role of parental affection and psychological control in adolescent athletes’ symptoms of school and sport burnout during the transition to upper secondary school
Authors: Aunola Kaisa , Sorkkila Matilda , Viljaranta Jaana , Tolvanen Asko , Ryba Tatiana V. 
Published: October 2018

ABSTRACTIntroductionThe transition from compulsory school to upper secondary school is a challenging period for adolescents. Especially challenging it can be for adolescents who aim to integrate two domains of achievement, such as an athletic career and academic education. The pressure from two intertwined achievement domains may make student‐athletes vulnerable to symptoms of burnout. The study examined the role of mothers' and fathers’ affection and psychological control as possible risk or protective factors in the symptoms of school and sport burnout among 15–16 year olds adolescent athletes in Finland.MethodsThe adolescents’ (n = 391) burnout symptoms in the two domains were measured using questionnaires at the beginning and at the end of the first grade of upper secondary school. Mothers (n = 258) and fathers (n = 191) filled in questionnaires concerning their parenting behaviors at the beginning of the school year.Results & conclusionsThe results showed that the athletes’ symptoms of both school and sport burnout increased across the school year. Maternal affection buffered against the increase of school burnout, but only when not combined with simultaneous psychologically controlling mothering.