bluuebunny/crossref_metadata_2025_split huggingface dataset:
Postoperative complications influencing the long‐term outcome of head‐injured patients after decompressive craniectomy
Authors: Di Guangfu , Zhang Yuhai , Liu Hua , Jiang Xiaochun , Liu Yong , Yang Kun , Chen Jiu , Liu Hongyi 
Published: December 2018

AbstractObjectivePostoperative complications are common in patients who underwent decompressive craniectomy (DC) after traumatic brain injury (TBI). However, little is known about the degree of association between the postoperative complications and the long‐term outcome of adult TBI patients after DC. The aim of this study was to evaluate the risk of postoperative complications that influenced the long‐term outcome of DC in TBI patients.MethodA total of 121 patients were studied up to 6 months after DC in TBI. The collected data included demographic, clinical and radiological information, postoperative complications, and Glasgow Outcome Scale‐Extended (GOSE) scores at follow‐up 6 months after DC. Based on their GOSE scores, they were divided into two functional groups: favorable (GOSE = 5–8) or unfavorable outcome (GOSE = 2–4) group. The characteristics of the two groups were compared using statistical analysis. Finally, a regression model was established and a receiver operating characteristic (ROC) curve was applied to analyze its performance power.ResultsOf 121 admitted patients, 31 (25.62%) sustained an unfavorable outcome. A logistic regression analysis showed that the presence of Glasgow Coma Scale (GCS) scores on admission (odds ratio [OR] 0.285, p = 0.001), posttraumatic hydrocephalus (PTH) (OR 8.688, p = 0.003), craniectomy site (OR 8.068, p = 0.033), and postoperative progressive hemorrhagic injury (PHI) (OR 6.196, p = 0.026) were independent risk factors that correlated with an unfavorable outcome. Analysis using ROC curves demonstrated that these factors had different accuracies in predicting an unfavorable outcome (AUC = 0.852 for GCS scores on admission; AUC = 0.826 for PTH, AUC = 0.617 for craniectomy site; AUC = 0.616 for postoperative PHI). The performance power of the GCS scores on admission and PTH influenced the patient's outcomes to a similar degree (p = 0.623), and either predicted the outcome better than the craniectomy site or the postoperative PHI (p < 0.05, respectively).ConclusionThese findings suggest that the occurrence of PTH and postoperative PHI were independently associated with an unfavorable long‐term outcome after DC in patients with TBI. Early prevention and treatment of PTH and postoperative PHI may be beneficial to improve the long‐term outcome, especially in patients with lower admission GCS scores or bilateral DC.
Chemical and Morphological Inter‐ and Intrapopulation Variability in Natural Populations of Gentiana pneumonanthe L.
Authors: Popović Zorica , Krstić‐Milošević Dijana , Stefanović Milena , Matić Rada , Vidaković Vera , Bojović Srđan 
Published: December 2018

AbstractInter‐ and intrapopulation variability in six natural populations of the rare species Gentiana pneumonanthe was examined based on morphological and chemical data. Population size and linear morphometric parameters differed significantly among populations, but without a clear connection to habitat conditions, i. e. water supply and light availability. Leaf shape varied from ovate to lanceolate in all populations, and one population was distinctive in having the largest number of leaves of transitional shape. HPLC analyses of six secondary metabolites were performed separately for belowground parts, and aboveground vegetative and reproductive parts of individual plants (6 populations ×7 individuals ×3 plant parts, n=126) in order to examine differences at the population and individual levels. Three secoiridoids (swertiamarin (SWM), sweroside (SWZ), and gentiopicrin (GP)), one xanthone (mangiferin (MGF)), and two flavones (isoorientin (IO) and isovitexin (IV)) were detected and quantified in the analyzed samples: sweroside dominated in the aboveground reproductive part, mangiferin in the aboveground vegetative part, and gentiopicrin in the belowground part. At the population level, differences in contents of the analyzed chemicals among populations were significant only for a few metabolites. At the individual level, a pronounced organ‐dependent distribution of secondary metabolites was revealed. The results of this study contribute to a better understanding of natural variability within populations of the rare and threatened G. pneumonanthe, and provide data on the contents and within‐plant distribution of secondary metabolites, which are important as pharmacologically active compounds and may be useful for further biotechnological procedures regarding this species.
Impact of Tetracationic Calix[4]arene Conformation—from Conic Structure to Expanded Bolaform—on Their Antibacterial and Antimycobacterial Activities
Authors: Mourer Maxime , Duval Raphaël E. , Constant Patricia , Daffé Mamadou , Regnouf‐de‐Vains Jean‐Bernard 
Published: December 2018

AbstractThe four possible conformers of a new tetrakisguanidino calix[4]arene thought to interact deleteriously with bacterial membranes have been synthesized, characterized, and evaluated for their in vitro cytotoxicity and antibacterial activity against various reference Gram‐negative and Gram‐positive bacteria, as well as Mycobacterium tuberculosis. It appears that reversal of at least one phenolic unit results in clear increases in their activities. This can be attributed to the evolution towards bolaform structures, which are able to interact more deeply with the bacterial membrane. Indeed, the 1,3‐alternate conformer 16 exhibits the best antibacterial activity (MIC<1.0 μg mL−1 on Staphylococcus aureus). Moreover, 16 displays very good antibacterial activities against an isoniazid‐resistant strain of M. tuberculosis (MIC=1.2 μg mL−1), associated with the lowest cytotoxicity, thus making it the most potent compound of the series; this could open new ways of research in the field of anti‐infective drug development to meet the huge current demand.
Recognition of ASF1 by Using Hydrocarbon‐Constrained Peptides
Authors: Bakail May , Rodriguez‐Marin Silvia , Hegedüs Zsófia , Perrin Marie E. , Ochsenbein Françoise , Wilson Andrew J. 
Published: December 2018

AbstractInhibiting the histone H3–ASF1 (anti‐silencing function 1) protein–protein interaction (PPI) represents a potential approach for treating numerous cancers. As an α‐helix‐mediated PPI, constraining the key histone H3 helix (residues 118–135) is a strategy through which chemical probes might be elaborated to test this hypothesis. In this work, variant H3118–135 peptides bearing pentenylglycine residues at the i and i+4 positions were constrained by olefin metathesis. Biophysical analyses revealed that promotion of a bioactive helical conformation depends on the position at which the constraint is introduced, but that the potency of binding towards ASF1 is unaffected by the constraint and instead that enthalpy–entropy compensation occurs.
Unsupported Ni(Pt‐Pd) Electro‐catalysts Synthesized by Hydrazine Reduction under the Assistance of a Magnetic Field
Authors: Alvarez Andrea E. , Castagna Rodrigo M. , Sieben Juan Manuel , Duarte Marta M. E. 
Published: December 2018

AbstractThe synthesis of unsupported Ni(Pt−Pd) catalysts via a two‐step process under the assistance of a magnetic field in the presence and absence of sodium citrate was investigated. In absence of the complex agent, sandspur‐like (Ni‐SS(PtPd)) particles of about 90 nm with thorns of ca. 40 nm in length were obtained, while in the presence of citrate anion the catalyst showed the occurrence of nanowires (Ni‐NW(PtPd)), with lengths in the range of 1–10 μm formed by grains of about 45 nm in size. The catalysts prepared in‐house were tested for ethanol electro‐oxidation in alkaline medium at room temperature. The activity of Ni‐NW(PtPd) electrode was almost 32 % higher than that of Ni‐SS(PtPd) material, while the poisoning rate was smaller at the same potential range. Hence, considering that both catalysts have practically the same composition, it is interesting to note that Ni‐NW(PtPd), which has the smallest electroactive surface area, is the one that presents the highest activity for the ethanol oxidation reaction (EOR). This result could be attributed to the lattice strain and electronic effects derived from the particle structure and morphology of the particles, and the electron transport rate through the materials.
Rationally Designed Double‐Shell Dodecahedral Microreactors with Efficient Photoelectron Transfer: N‐Doped‐C‐Encapsulated Ultrafine In2O3 Nanoparticles
Authors: Sun Liming , Li Rong , Zhan Wenwen , Wang Fan , Zhuang Yuan , Wang Xiaojun , Han Xiguang 
Published: December 2018

AbstractIt is desirable but challenging to design efficient micro‐/nanoreactors for chemical reactions. In this study, we have fabricated mesoporous double‐shelled hollow microreactors composed of N‐doped‐C‐coated ultrafine In2O3 nanoparticles [N‐C/In2O3 HD (hollow dodecahedron)] by the thermolysis of a dodecahedral In‐based framework in Ar atmosphere. The obtained N‐C/In2O3 HD exhibited excellent activity in the photocatalytic oxidative hydroxylation of a series of arylboronic acid substrates. This property can be attributed to its enhanced optical absorption and efficient separation of photo‐generated electron–hole pairs, imparted by the unique structure and uniformly coated N‐doped C layers. Furthermore, we found O2.− to be the critical active species in the process of photocatalytic oxidative hydroxylation of arylboronic acids, and the formation mechanism of this radical is also proposed. Theoretical calculations further confirmed that the N‐doped C layer serves as an electron acceptor and revealed the microscopic charge‐carrier migration path through the In2O3/N‐doped graphite interfaces. Thus, photo‐generated electrons from hybrid states of In2O3, composed of In 5s and 2p orbitals, are transferred into the hybrid states of N‐doped graphite, composed of C 2p and N 2p orbitals. The present study may be helpful for understanding and designing carbon‐based micro‐/nanoreactors for photocatalytic reactions, and may also be useful for investigating related micro‐/nanoreactors.
A peri‐Xanthenoxanthene Centered Columnar‐Stacking Organic Semiconductor for Efficient, Photothermally Stable Perovskite Solar Cells
Authors: Xu Niansheng , Li Yang , Wu Ruihan , Zhu Rui , Zhang Jidong , Zakeeruddin Shaik M. , Li Hanying , Li Ze‐Sheng , Grätzel Michael , Wang Peng 
Published: December 2018

AbstractModulating the structure and property of hole‐transporting organic semiconductors is of paramount importance for high‐efficiency and stable perovskite solar cells (PSCs). This work reports a low‐cost peri‐xanthenoxanthene based small‐molecule P1, which is prepared at a total yield of 82 % using a three‐step synthetic route from the low‐cost starting material 2‐naphthol. P1 molecules stack in one‐dimensional columnar arrangement characteristic of strong intermolecular π–π interactions, contributing to the formation of a solution‐processed, semicrystalline thin‐film exhibiting one order of magnitude higher hole mobility than the amorphous one based on the state‐of‐the art hole‐transporter, 2,2‐7,7‐tetrakis(N,N′‐di‐paramethoxy‐phenylamine 9,9′‐spirobifluorene (spiro‐OMeTAD). PSCs employing P1 as the hole‐transporting layer attain a high efficiency of 19.8 % at the standard AM 1.5 G conditions, and good long‐term stability under continuous full sunlight exposure at 40 °C.
Resolving Inflammation: Synthesis, Configurational Assignment, and Biological Evaluations of RvD1n−3 DPA
Authors: Tungen Jørn Eivind , Gerstmann Lisa , Vik Anders , De Matteis Roberta , Colas Romain Alexandre , Dalli Jesmond , Chiang Nan , Serhan Charles Nicholas , Kalesse Markus , Hansen Trond Vidar 
Published: December 2018

AbstractNew drugs that can resolve inflammation without immunosuppressive effects are at the medicinal chemistry frontier. Pro‐resolving endogenously formed small molecules, that is, the resolvins, are excellent candidates displaying such bioactions. The first total synthesis of the specialized pro‐resolving mediator RvD1n−3 DPA has been achieved using the underutilized sp3–sp3 Negishi cross coupling reaction and an alkyne hydrosilylation–protodesilylation protocol. Biological evaluations revealed that this novel mediator displays low nanomolar pro‐resolving properties and potently activates the human DRV1/GPR32 receptor. As such, this endogenous natural product is a lead compound for the development of novel immunoresolvents.
Aerobic exercise reduces triglycerides by targeting apolipoprotein C3 in patients with coronary heart disease
Authors: Wang Yating , Shen Li , Xu Danyan 
Published: December 2018

BackgroundAerobic exercise, which has been shown to have beneficial effects on plasma lipids, has been recommended as an effective measure to improve the prognosis of individuals with coronary heart disease (CHD). Apolipoprotein C3 (apoC3) is associated with hypertriglyceridemia and is therefore closely related to CHD.HypothesisWe measured apoC3 concentration change in patients with CHD before and after long‐term aerobic exercise.MethodsThirty‐eight patients with coronary heart disease were randomly assigned to a non‐exercise group (19 patients) or exercise group (19 patients). Both groups received essential drugs for CHD. The non‐exercise group was kept sedentary while the exercise group performed moderate‐intensive aerobic exercise for 8 weeks. Lipid levels and apoC3 levels were measured on the first day and 8 weeks later.ResultsExercise for 8 weeks led to a significant decrease in concentration of triglyceride and apoC3 compared with the baseline. Triglyceride concentration changes were positively associated with apoC3 level changes.ConclusionsAerobic exercise can improve the lipid profile. It is effective in decreasing triglycerides by targeting apoC3 levels in patients with coronary heart disease.
Osimertinib in patients with T790M mutation‐positive, advanced non–small cell lung cancer: Long‐term follow‐up from a pooled analysis of 2 phase 2 studies
Authors: Ahn Myung‐Ju , Tsai Chun‐Ming , Shepherd Frances A. , Bazhenova Lyudmila , Sequist Lecia V. , Hida Toyoaki , Yang James C. H. , Ramalingam Suresh S. , Mitsudomi Tetsuya , Jänne Pasi A. , Mann Helen , Cantarini Mireille , Goss Glenwood 
Published: December 2018

AbstractBackgroundOsimertinib is a third‐generation epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) that is selective for both EGFR‐TKI–sensitizing and T790M (threonine‐to‐methionine substitution at codon 790)‐resistance mutations. The authors present long‐term follow‐up data from a preplanned, pooled analysis of phase 2 studies, the AZD9291 First Time in Patients Ascending Dose Study (AURA) extension trial (clincialtrials.gov identifier NCT01802632) and the AURA2 trial (NCT02094261).MethodsPatients with centrally confirmed, T790M mutation‐positive, advanced non‐small cell lung cancer received osimertinib 80 mg once daily until disease progression or study discontinuation. Response was assessed by a blinded, independent, central review using Response Evaluation Criteria in Solid Tumors, version 1.1. The primary endpoint was the objective response rate.ResultsIn total, 411 patients received osimertinib (second line, 129 patients; third line or later, 282 patients). At the data cutoff date of November 1, 2016, the median treatment exposure was 16.4 months (range, 0‐29.7 months), the objective response rate was 66% (95% confidence interval [CI], 61%‐70%), the median response duration was 12.3 months (95% CI, 11.1‐13.8 months), and the median progression‐free survival was 9.9 months (95% CI, 9.5‐12.3 months). At the data cutoff date of May 1, 2018, 271 patients (66%) had died, and 140 patients (34%) had discontinued before death. The median overall survival was 26.8 months (95% CI, 24.0‐29.1 months); and the 12‐month, 24‐month, and 36‐month survival rates were 80%, 55%, and 37%, respectively. Grade ≥3 possibly causally related (investigator assessed) adverse events were reported in 65 patients (16%), and the most common were rash (grouped terms; 42%; grade ≥3, 1%) and diarrhea (39%; <1%).ConclusionsThis pooled analysis represents the most mature clinical trial data for osimertinib in patients with pretreated, T790M‐positive, advanced non‐small cell lung cancer, further establishing osimertinib as a standard of care for this patient population.
Post‐Imprinting‐Modified Molecularly Imprinted Nanocavities with Two Synergetic, Orthogonal, Glycoprotein‐Binding Sites to Transduce Binding Events into Fluorescence Changes
Authors: Morishige Takahiro , Takano Eri , Sunayama Hirobumi , Kitayama Yukiya , Takeuchi Toshifumi 
Published: December 2018

AbstractWe developed sensitive and selective polymeric nanocavities for glycoprotein detection using a novel molecular imprinting technique involving post‐imprinting modification (PIM). It allowed the introduction of two different interaction sites and a fluorescent reporter within each nanocavity. The hepatocellular carcinoma biomarker α‐fetoprotein (AFP) was used as a model glycoprotein. For PIM‐based molecular imprinting, AFP conjugated with polymerizable groups by disulfide bonding was prepared and immobilized on a 4‐carboxy‐3‐fluorophenylboronic acid‐immobilized substrate by cyclic diester formation between AFP glycans in an oriented immobilization manner, facilitating the creation of homogeneous AFP‐imprinted nanocavities. Surface‐initiated controlled/living radical polymerization was performed with a functional monomer, co‐monomer, and crosslinker. The disulfide bonds and cyclic diesters were cleaved to create AFP‐imprinted nanocavities, generating free thiol groups present inside the nanocavities only. A thiol‐reactive fluorescent dye was added to the nanocavities by in‐cavity PIM, yielding signaling AFP‐imprinted nanocavities capable of transducing AFP‐binding events into fluorescence changes. Reference proteins showed little response, while the limit of detection of AFP was 0.27 ng/mL (ca. 3.9 pM) in diluted human serum. Thus, the proposed in‐cavity PIM‐based molecular imprinting technique is effective for ELISA‐relevant, antibody‐free sensing systems for glycoproteins.
ADD: Accelerator Design and Deploy ‐ A tool for FPGA high‐performance dataflow computing
Authors: C. Penha Jeronimo , B. Silva Lucas , M. Silva Jansen , Coelho Kristtopher K. , P. Baranda Hector , M. Nacif José Augusto , S. Ferreira Ricardo 
Published: December 2018

SummaryDataflow‐based FPGA accelerators have become a promising alternative to deliver energy‐efficient high‐performance computing. However, FPGA programming is still a challenge. This paper presents Accelerator Design and Deploy (ADD), a high‐level framework to specify, to simulate, and to implement dataflow accelerators for streaming applications. The framework includes an open dataflow operator library, and templates are provided to easily design new operators. The framework also provides a high‐level and an accurate simulation at circuit level with short execution times. Moreover, ADD provides software and hardware APIs to simplify the integration process, extending the benefits of portability from low‐cost FPGA boards to high performance datacenter FPGA platforms. Our framework supports coupling with high‐level programming languages, and it has been validated on two FPGA platforms: the Intel high‐performance CPU‐FPGA heterogeneous computing platform and an educational FPGA kit. We show that our simple approach presents competitive performance, both in time and energy, when compared to multi‐core and GPU accelerators.
Lewis Acid Modulation of meso‐Pyridyl BODIPY Chromophores
Authors: Sun Choung Ku , Teets Thomas S. 
Published: December 2018

AbstractTwo pyridyl‐substituted boron dipyrromethene (BODIPY) compounds are shown to interact with the strong Lewis acid B(C6F5)3. The borane adducts are characterized by multinuclear NMR and in one case by X‐ray crystallography. The titration of pyridyl‐substituted BODIPYs with B(C6F5)3 results in a bathochromic shift of the UV/Vis absorption and emission spectra, with the magnitude of the shift depending on the distance of the bound borane from the BODIPY core. In meso‐4‐pyridyl‐BODIPY, binding of B(C6F5)3 induces a small circa 230 cm−1 red shift in the UV/Vis absorption maximum, with a much larger 1950 cm−1 shift in the photoluminescence maximum. In meso‐4‐pyridylphenyl‐BODIPY, where the pyridine Lewis base is separated from the BODIPY core by a phenyl spacer, smaller shifts of circa 120 cm−1 in UV/Vis absorption and 330 cm−1 in photoluminescence are observed. This work shows that these organic chromophores can interact with Lewis acids as a means of systematically perturbing the electronic structure and excited‐state properties.
DMSO‐Triggered Complete Oxygen Transfer Leading to Accelerated Aqueous Hydrolysis of Organohalides under Mild Conditions
Authors: Liu Haicheng , Liu Jianping , Cheng Xiaokai , Jia Xiaojuan , Yu Lei , Xu Qing 
Published: December 2018

AbstractAddition of DMSO is found to greatly accelerate the aqueous hydrolysis of organohalides to alcohols, providing a neutral, more efficient, milder and more economic process. Mechanistic studies using 18O‐DMSO and 18O‐H2O showed that, contrary to the opinion that DMSO works as a dipolar solvent to enhance water's nucleophilicity, the accelerating effect comes from a complete oxygen transfer from DMSO to organohalides through generation of ROS+Me2⋅X− salts through C−O bond formation, followed by O−S bond disassociative hydrolysis of ROS+Me2⋅X− with water. This method is applicable to a wide range of organohalides and thus may have potential for practical industrial application, owing to easy recovery of DMSO from the H2O/DMSO mixture by regular vacuum rectification.
Direct Conversion of Activated 5‐Hydroxymethylfurfural into δ‐Lactone‐Fused Cyclopentenones
Authors: Gomes Rafael F. A. , Coelho Jaime A. S. , Afonso Carlos A. M. 
Published: December 2018

AbstractValorization of biomass derived feedstock (e.g., 5‐hydroxymethylfurfural platform) is a very active field of chemical research. In this study, 5‐hydroxymethylfurfural is converted into cyclopenten‐2‐ones by virtue of furfural's activation and Meldrum's acid's tendency to undergo decomposition/esterification. Experimental and computational studies suggest a domino rearrangement–lactonization reaction involving BINOL‐catalyzed lactonization as the rate‐determining step. The novel lactone‐fused cyclopenten‐2‐ones, which bear a quaternary carbon and resemble a didemnenone natural product structure, are converted into several derivatives with potential interest for the fields of synthetic and medicinal chemistry.
Spontaneous mutations conferring antibiotic resistance to antitubercular drugs at a range of concentrations in Mycobacterium smegmatis
Authors: Nyinoh Iveren Winifred 
Published: December 2018

AbstractMycobacteria populations can undergo mutations in their DNA sequence during replication, which if not repaired would be transferred to future generations. Earlier studies have tackled the estimation of mutation rate in mycobacteria at fixed concentrations. However, in this study, in vitro spontaneous mutations in Mycobacterium smegmatis (Msm) mc2155 (Msm) that confers resistance to some of the most important antitubercular drugs; isoniazid (INHr), rifampicin (RIFr), kanamycin (KANr) and streptomycin (STRr) were first determined at several highly lethal concentrations, a few of which have not been previously investigated, in a fluctuation assay. Thereafter, mutation rate was estimated using the most commonly adopted Po method, and estimates were then compared concurrently with the Lea‐Coulson method of the median and Ma‐Sandri‐Sarkar Maximum Likelihood Estimator method available on the Fluctuation AnaLysis CalculatOR (FALCOR). The mutation rates of RIFr ranged from 9.24 × 10−8 to 2.18 × 10−10, INHr 1.2 × 10−7‑1.20 × 10−9, STRr 2.77 × 10−8‑5.31 × 10−8 and KANr 1.7 × 10−8 mutations per cell division. Data obtained in this study provide mutation rate estimates to key antitubercular drugs at a range of concentrations while also validating a number of the frequent approaches for estimating mutation rates.