bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regulation of Inflammatory Cytokines for Spinal Cord Injury Repair Through Local Delivery of Therapeutic Agents
Authors: Ren Hao , Chen Xuri , Tian Mengya , Zhou Jing , Ouyang Hongwei , Zhang Zhiyong 
Published: August 2018

AbstractThe balance of inflammation is critical to the repair of spinal cord injury (SCI), which is one of the most devastating traumas in human beings. Inflammatory cytokines, the direct mediators of local inflammation, have differential influences on the repair of the injured spinal cord. Some inflammatory cytokines are demonstrated beneficial to spinal cord repair in SCI models, while some detrimental. Various animal researches have revealed that local delivery of therapeutic agents efficiently regulates inflammatory cytokines and promotes repair from SCI. Quite a few clinical studies have also shown the promotion of repair from SCI through regulation of inflammatory cytokines. However, local delivery of a single agent affects only a part of the inflammatory cytokines that need to be regulated. Meanwhile, different individuals have differential profiles of inflammatory cytokines. Therefore, future studies may aim to develop personalized strategies of locally delivered therapeutic agent cocktails for effective and precise regulation of inflammation, and substantial functional recovery from SCI.
Heavy Doping by Bromine to Improve the Thermoelectric Properties of n‐type Polycrystalline SnSe
Authors: Li Shan , Wang Yumei , Chen Chen , Li Xiaofang , Xue Wenhua , Wang Xinyu , Zhang Zongwei , Cao Feng , Sui Jiehe , Liu Xingjun , Zhang Qian 
Published: August 2018

AbstractSingle crystal tin selenide (SnSe) has attracted much attention for its excellent thermoelectric performance. However, polycrystalline SnSe exhibits unsatisfactory figure‐of‐merit due to the inferior electrical properties, especially for n‐type SnSe. In this work, a high concentration of Br doping (6–12 atm%) on the Se site effectively increases the Hall carrier concentration from 1.6 × 1017 cm−3 (p‐type) in undoped SnSe to 1.3 × 1019 cm−3 (n‐type) in Br‐doped SnSe0.88Br0.12, leading to an increased electrical conductivity close to that of a single crystal. Combined with the decreased lattice thermal conductivity due to the enhanced phonon scattering by composition fluctuation and dislocations, a peak ZT of ≈1.3 at 773 K, together with the enhanced average ZT is obtained in SnSe0.9Br0.1 along the hot pressing direction.
Multilevel Data Encryption Using Thermal‐Treatment Controlled Room Temperature Phosphorescence of Carbon Dot/Polyvinylalcohol Composites
Authors: Tian Zhen , Li Di , Ushakova Elena V. , Maslov Vladimir G. , Zhou Ding , Jing Pengtao , Shen Dezhen , Qu Songnan , Rogach Andrey L. 
Published: August 2018

AbstractThermal‐treatment controlled room temperature phosphorescence is realized by embedding either originally synthesized carbon dots (CDs) or 200 °C thermal‐treated CDs into a polyvinylalcohol (PVA) matrix through post‐synthetic thermal annealing at 200 or 150 °C. The thermal‐treatment controlled phosphorescence is attributed to the transfer of photoexcitation from the excited singlet state to the triplet state through intersystem crossing, followed by radiative transition to the ground state, which is due to decrease of quenchers (oxygen) in the CDs and suppression of the vibrational dissipations through the chemical bonding of CDs in the PVA matrix. Multilevel fluorescence/phosphorescence data encryption is demonstrated based on the thermal‐treatment controlled phosphorescence from CD@PVA composites.
Change in Prevalence of Orofacial Clefts in California between 1987 and 2010
Authors: Andrew Tom , Yang Wei , Bernstein Jonathan A. , Shaw Gary M. 
Published: August 2018

AbstractIntroductionTo extend the knowledge base about possible prevalence declines of specific orofacial cleft phenotypes, here we examine prevalence in a population base from California over a two‐decade period among numerous race/ethnic groups.MethodsThis population‐based study used vital statistics and birth defects registry data. Its population involved all births (~1.5 million births) in central California counties from 1987 to 2010. Orofacial clefts were defined as cleft lip with or without cleft palate (CLP, n=1766), and cleft palate (CP, n=922) only. The slope of prevalence of each cleft phenotype over the period 1987‐2010 was estimated using weighted least squares regression.ResultsBirth prevalence of CLP was 121/100,000 live births, and 63/100,000 live births for CP. The slope for CLP decreased by 1.2 (slope: ‐1.2; 95% CI: ‐1.9, ‐0.5), and for CP by 0.7 (slope: ‐0.7; 95% CI: ‐1.7, 0.2) for CP. Stratification by race/ethnicity or infant sex did not demonstrate a statistical difference in slopes.ConclusionsWe observed a decline in the prevalence in CLP in all ethnic groups, however did not observe the same amount of decline in CP, perhaps due to antenatal screening.
Photoredoxkatalytische organische Umwandlungen an heterogenen Kohlenstoffnitriden
Authors: Savateev Aleksandr , Ghosh Indrajit , König Burkhard , Antonietti Markus 
Published: August 2018

AbstractDie klassische Photoredoxkatalyse, die homogene Übergangsmetall‐basierte Systeme, organische Farbstoffe und Halbleiter umfasst, hat sich zu einem universellen Werkzeug für die Katalyse einer Vielzahl chemischer Reaktionen entwickelt, die unter milden Bedingungen unter Einstrahlung von sichtbarem Licht mit hoher Selektivität ablaufen. Dieser Kurzaufsatz fasst jüngste Fortschritte der Photoredoxkatalyse zusammen, die durch heterogene Kohlenstoffnitrid‐Materialien wie mesoporöses graphitisches Kohlenstoffnitrid (mpg‐CN), polymeres Kohlenstoffnitrid und Kaliumpoly(heptazinimid) (K‐PHI) vermittelt wird. Aufgrund der hohen thermischen, chemischen und Photostabilität dieser Materialien, wie auch der vorteilhaften Leitungs‐ und Valenzbandlagen, erweitern Kohlenstoffnitride den Reaktionsumfang der Photokatalyse um zahlreiche neue Reaktionen, wie beispielsweise die photokatalytische Aktivierung von elementarem Schwefel, die einen einfachen chemischen Zugang zu Organoschwefelverbindungen ermöglicht.
Catalytic Alkyne Arylation Using Traceless Directing Groups
Authors: Park Jung‐Woo , Kang Bubwoong , Dong Vy M. 
Published: August 2018

AbstractBy using Pd0/Mandyphos, we achieved a three‐component aminoarylation of alkynes to generate enamines, which are then hydrolyzed to either α‐arylphenones or α,α‐diarylketones. This Pd‐catalyzed method overcomes established known pathways to enable the use of amines as traceless directing groups for C−C bond formation.
Asymmetric Synthesis of Tetrahydroindolizines by Bimetallic Relay Catalyzed Cycloaddition of Pyridinium Ylides
Authors: Zhang Dong , Lin Lili , Yang Jian , Liu Xiaohua , Feng Xiaoming 
Published: August 2018

AbstractA highly enantioselective synthesis of tetrahydroindolizines by catalytic multicomponent cycloaddition reactions of diazoacetate, pyridine, and alkenyloxindole was developed. Under the relay catalysis, involving an achiral iron(III) catalyst and chiral N,N′‐dioxide‐scandium(III) complex, a series of tetrahydroindolizines bearing different substituents were obtained in moderate to high yields (up to 99 %) with excellent diastereo‐ and enantioselectivities (up to >19:1 d.r., 99 % ee).
Self‐Assembly of a 3D DNA Crystal Structure with Rationally Designed Six‐Fold Symmetry
Authors: Zhang Fei , Simmons Chad R. , Gates Jade , Liu Yan , Yan Hao 
Published: August 2018

AbstractProgramming self‐assembled designer DNA crystals with various lattices and functions is one of the most important goals for nanofabrication using nucleic acids. The resulting porous materials possess atomic precision for several potential applications that rely on crystalline lattices and cavities. Herein, we present a rationally designed and self‐assembled 3D DNA crystal lattice with hexagonal symmetry. In our design, two 21‐base oligonucleotides are used to form a duplex motif that further assembles into a 3D array. The interactions between the strands are programmed using Watson–Crick base‐pairing. The six‐fold symmetry, as well as the chirality, is directed by the Holliday junctions formed between the duplex motifs. The rationally designed DNA crystal provides a new avenue that could create self‐assembled macromolecular 3D crystalline lattices with atomic precision. In addition, the structure contains a highly organized array of well‐defined cavities that are suitable for future applications with immobilized guests.
Neuprogrammierung von humanem Siderocalin zur Neutralisierung von Petrobactin, dem essenziellen Eisenfänger des Milzbrand‐Bazillus
Authors: Dauner Martin , Eichinger Andreas , Lücking Genia , Scherer Siegfried , Skerra Arne 
Published: August 2018

AbstractBacillus anthracis verdankt seine ausgeprägte Virulenz – neben spezifischen Toxinen – einem doppelten Importmechanismus für FeIII‐Ionen. Das pathogene Bakterium sekretiert die Siderophore Bacillibactin (BB) und Petrobactin (PB), von denen nur BB von menschlichem Siderocalin, einem im Plasma vorherrschenden Lipocalin, neutralisiert wird. Wir beschreiben dessen Umgestaltung durch kombinatorisches Protein‐Design, um PB⋅FeIII anstelle von BB⋅FeIII zu binden, und dies sogar mit höherer Affinität (KD≈20 pm). Die Röntgen‐kristallographische Analyse des erhaltenen “Petrocalins” in Komplex mit PB⋅GaIII offenbart eine positiv geladene Ligandentasche, wobei die ausgedehnte schmetterlingsartige Konformation des gebundenen PB die fehlende Erkennung durch das natürliche Siderocalin erklärt. In mikrobiologischen Studien unterdrückte eine Kombination aus Petrocalin und Siderocalin das Wachstum eines BB+/PB+‐Stamms von Bacillus cereus unter eisenlimitierenden Kulturbedingungen. Das neuprogrammierte Lipocalin vermag daher neuartige Behandlungsmöglichkeiten für verheerende Infektionen durch B. anthracis zu eröffnen.
5‐(Alkynyl)dibenzothiophenium Triflates: Sulfur‐Based Reagents for Electrophilic Alkynylation
Authors: Waldecker Bernd , Kraft Finn , Golz Christopher , Alcarazo Manuel 
Published: August 2018

AbstractThe synthesis of a series of 5‐(alkynyl) dibenzothiophenium triflates, prepared from dibenzo[b,d]thiophene 5‐oxide and the corresponding trimethylsilyl‐substituted alkynes is reported. Their structures were determined by X‐ray crystallography, and their reactivities as electrophilic alkynylation reagents evaluated. Their broad substrate scope and functional‐group tolerance illustrate their potential to become an alternative to the broadly used EBX reagents. Isotope labeling studies reveal that alkynyldibenzothiophenium salts may undergo attack by nucleophiles at either the α‐ or β‐carbon atom depending on the nature of their substitution pattern. Subsequent elimination of the dibenzothiophene unit and 1,2‐migration of one of the groups (in case of β‐attack) affords the desired alkynes.
3D printing and modeling of congenital heart defects: A technical review
Authors: Townsend Kevin , Pietila Todd 
Published: August 2018

Use of 3D printing technology is expanding in healthcare. One of the common applications is the creation of anatomical models of congenital heart defects (CHD) from medical image data. These patient‐specific models are being used for multiple purposes including visualization of anatomy, simulation of surgical procedures, patient education, and facilitating communication between clinical staff.The process for creating CHD models begins with acquiring volumetric image data that is segmented using medical image processing software. A virtual 3D model is calculated based on the segmented data which can be further refined using computer‐aided design software. Last, the virtual model is transferred to a 3D printer for production.By obtaining detailed knowledge on the process for creating patient‐specific CHD anatomical models, institutions can implement the technology in an efficient and cost‐effective manner.
Folate transporter expression in placenta from pregnancies complicated with birth defects
Authors: Reza‐López Sandra A. , Aguirre‐Chacón Edwin O. , Sánchez‐Ramírez Blanca , Guerrero‐Salgado Fabiola , Chávez‐Corral Dora V. , Levario‐Carrillo Margarita 
Published: August 2018

BackgroundFolate plays a fundamental role for fetal development, participating in cell division, embryogenesis, and fetal growth. The fetus depends on maternal supply of folate across the placenta. The objective of this study was to compare the expression of Folate Receptor‐α (FR‐α), Reduced Folate Carrier (RFC), and Proton Coupled Folate Transporter (PCFT) in placentas from pregnancies complicated with birth defects (BD) and controls.MethodsCase‐control study, including placentas of BD‐complicated pregnancies (n = 25) and a control group (n = 25). We determined the placental expression of FR‐α, RFC, and PCFT by immunohistochemistry. Optical density was measured to obtain a relative quantification of the expression.ResultsThe expression of PCFT was greater in placentas from pregnancies complicated with BD than in those from the control group (p < .01). The expression of FR‐α and RFC was not different between groups.ConclusionThe expression of PCFT in placentas from BD‐complicated pregnancies is increased, possibly as an adaptive response to increase the folate flux at the maternal‐fetal interface.
Model‐based analysis and optimization of a full‐scale industrial high‐rate anaerobic bioreactor
Authors: Feldman Hannah , Flores‐Alsina Xavier , Kjellberg Kasper , Jeppsson Ulf , Batstone Damien J. , Gernaey Krist V. 
Published: August 2018

AbstractThe objective of this paper is to present the model‐based optimization results of an anaerobic granular sludge internal circulation reactor. The International Water Association Anaerobic Digestion Model No. 1 extended with phosphorus (P), sulfur (S), and ethanol is used to describe the main biological and physico‐chemical processes. The high‐rate conditions within the reactor are simulated using a flow + reactor model comprised of a series of continuous stirred tank reactors followed by an ideal total suspended solids separation unit. Following parameter estimation by least squares on the measured data, the model had a relative mean error of 13 and 15% for data set #1 and data set #2, respectively. Response surfaces show that the reactor performance index (a metric combining energy recovery in the form of heat and electricity, as well as chemicals needed for pH control) could be improved by 45% when reactor pH is reduced down to 6.8. Model‐based results reveal that influent S does not impose sufficient negative impacts on energy recovery (+5.7%, in MWh/day,+0.20 M€/year when influent S is removed) to warrant the cost of its removal (3.58 M€/year). In fact, the process could handle even higher S loads (ensuring the same degree of conversion) as long as the pH is maintained above 6.8. Nevertheless, a higher S load substantially increases the amount of added NaOH to maintain the desired operational pH (>25%) due to the acidic behavior of HS
−. CO
2 stripping decreases the buffer capacity of the system and hence use of chemicals for pH control. Finally, the paper discusses the possibilities and limitations of the proposed approach, and how the results of this study will be put into practice.
Bioprocess decision support tool for scalable manufacture of extracellular vesicles
Authors: Ng Kelvin S. , Smith James A. , McAteer Matthew P. , Mead Benjamin E. , Ware Jamie , Jackson Felix O. , Carter Alison , Ferreira Lino , Bure Kim , Rowley Jon A. , Reeve Brock , Brindley David A. , Karp Jeffrey M. 
Published: August 2018

AbstractNewly recognized as natural nanocarriers that deliver biological information between cells, extracellular vesicles (EVs), including exosomes and microvesicles, provide unprecedented therapeutic opportunities. Large‐scale and cost‐effective manufacturing is imperative for EV products to meet commercial and clinical demands; successful translation requires careful decisions that minimize financial and technological risks. Here, we develop a decision support tool (DST) that computes the most cost‐effective technologies for manufacturing EVs at different scales, by examining the costs of goods associated with using published protocols. The DST identifies costs of labor and consumables during EV harvest as key cost drivers, substantiating a need for larger‐scale, higher‐throughput, and automated technologies for harvesting EVs. Importantly, we highlight a lack of appropriate technologies for meeting clinical demands, and propose a potentially cost‐effective solution. This DST can facilitate decision‐making very early on in development and be used to predict, and better manage, the risk of process changes when commercializing EV products.
Activity – Stability Volcano Plots for the Investigation of Nano‐Sized Electrode Materials in Lithium‐Ion Batteries
Authors: Exner Kai S. 
Published: August 2018

AbstractIn the last two decades, materials design in lithium‐ion batteries (LIBs) based on first‐principles methods has been spurred mainly by computationally demanding investigations of diffusion pathways, redox mechanisms or activation barriers for lithium‐ion migration. However, hitherto an expeditious tool with conceptual simplicity that enables a priori computational screening based on thermodynamic considerations in order to propose potential candidates for the usage as electrode materials in LIBs is missing. Here, a novel method based on the application of Volcano plots from catalysis is introduced which allows assessing lithium intercalation in nano‐sized electrode materials of LIBs by means of both activity and stability.
The Multiple Hydrogen‐Bonding Networks of Polyol Ribitol
Authors: Peña Isabel , Sanz Maria Eugenia , Alonso Elena R. , Alonso José L. 
Published: August 2018

AbstractConformational flexibility and non‐covalent interactions determine the structure and activity of molecules in biological processes. In this work, the hydrogen bonding networks of the polyol ribitol have been determined for the first time using a combination of laser ablation and broadband rotational spectroscopy. Five conformations of ribitol have been identified, two with extended carbon chains and three with bent chains. All conformations are stabilized by sequential hydrogen bonding networks of either four or five intramolecular O−H⋅⋅⋅O bonds in a clockwise or counter‐clockwise arrangement. The hydrogen bonding patterns are related to the extended or bent‐chain conformations of ribitol, and involve 2OH−4OH or 2OH−5OH linkages, respectively. Interestingly, all hydrogen bonds wrap round the carbon backbone of ribitol rather than being located above or below it as it happens for other polyols and cyclic sugars.
Employing Photoredox Catalysis for DNA‐Encoded Chemistry: Decarboxylative Alkylation of α‐Amino Acids
Authors: Kölmel Dominik K. , Loach Richard P. , Knauber Thomas , Flanagan Mark E. 
Published: August 2018

AbstractA new procedure for the photoredox‐mediated conjugate addition of radicals that can be conveniently generated from α‐amino acids to DNA‐tagged Michael acceptors and styrenes is presented. This C(sp3)−C(sp3) coupling tolerates a broad array of structurally diverse radical precursors, including all of the 20 proteinogenic amino acids. Importantly, this reaction proceeds under mild conditions and in DNA‐compatible aqueous media. Furthermore, the presented reaction conditions are compatible with DNA, making this reaction platform well suited for the construction of DNA‐encoded libraries. The scope and limitations of the chemistry are discussed herein along with proposals for how this methodology might be used to construct DNA‐encoded libraries.
Monitoring PARKIN RBR Ubiquitin Ligase Activation States with UbFluor
Authors: Foote Peter K. , Statsyuk Alexander V. 
Published: August 2018

AbstractPARKIN is a RING‐Between‐RING (RBR) E3 ligase, which ubiquitinates mitochondrial proteins in response to mitochondrial damage. Ser65 of PARKIN is phosphorylated by kinase PINK1 (pPARKIN), which causes partial PARKIN activation. PINK1 also phosphorylates Ser65 of ubiquitin (pUb), which further activates pPARKIN. Due to the lack of precise and quantitative assays to quantify the activity of PARKIN, there were many conflicting reports on the role of pUb as a PARKIN activator, whether S65E PARKIN is a true phosphomimetic of pPARKIN, and the effect of substrate of PARKIN turnover was also not known. This protocol provides a step‐by‐step guide on the use of the UbFluor probe to precisely quantitate changes in the activity of PARKIN in response to phosphorylation, allosteric activation by pUb, protein substrates, and activating structural mutations. These results pave the way to discover PARKIN activators and to precisely quantify the activity of other RBR E3s. © 2018 by John Wiley & Sons, Inc.
AXC: A new format to perform the SpMV oriented to Intel Xeon Phi architecture in OpenCL
Authors: Coronado‐Barrientos E. , Indalecio G. , García‐Loureiro A. 
Published: August 2018

SummaryEmerging new architectures used in High Performance Computing require new research to adapt and optimise algorithms to them. As part of this effort, we propose the new AXC format to improve the performance of the SpMV product for the Intel Xeon Phi coprocessor. The performance of the OpenCL kernel, based on our new format, is compared with three very different and high efficient sparse matrix formats, ie, CSR, ELLR‐T, and K1. We perform tests with most of the matrices from the Williams collection used to test SpMV kernels for GPUs architectures in several related works. The numerical results show that the AXC format is more robust to spatial indirections proper of sparse matrices and prefers matrices with low variability amongst their rows' population, very much like matrices originated by FEM codes. The Conjugate Gradient (CG) is implemented in OpenCL using all the formats in this work to expose strengths and weaknesses of the formats in a real application. The CG implementation shows that the AXC has the fastest conversion time and its coherent with the numerical results generated by the SpMV tests, and that the format has a slower memory operations time due to an extra step required by the format and its larger memory footprint.
On the use of HCM to develop a resource allocation algorithm for heterogeneous clusters
Authors: Marques Soares Thiago , Weber dos Santos Rodrigo , Lobosco Marcelo 
Published: August 2018

SummaryThis work presents a resource allocation algorithm that considers the characteristics of regular applications to choose the subset of processors, accelerators, and networks that minimize their parallel execution time in a small heterogeneous cluster environment. The resource allocation algorithm uses Heterogeneous Cluster Model (HCM) to estimate the execution time of the parallel applications. The experimental results have shown that, for applications with distinct behaviors, the resource allocation algorithm has successfully chosen the set of resources that minimizes their execution time.