bluuebunny/crossref_metadata_2025_split huggingface dataset:
N‐Heterocyclic Carbene‐Catalyzed Umpolung of Alkynyl 1,2‐Diketones
Authors: Kong Xiangwen , Zhang Guoxiang , Yang Shuang , Liu Xiaozhi , Fang Xinqiang 
Published: June 2017

AbstractThe umpolung of alkynyl 1,2‐diketones via N‐heterocyclic carbene (NHC) catalysis was achieved for the first time, allowing the rapid access to a large variety of synthetically and pharmaceutically important α‐pyrones under very mild conditions. A completely new NHC‐catalyzed umpolung pattern involving an O‐acylated allenolate as the key intermediate was proposed. Moreover, an unprecedented reaction pathway, featured by a series of group migrations and new bond formation, was postulated to demonstrate the formation of the products.magnified image
Ligand‐Free Pd/Cu‐Catalyzed Aminosulfonylation of Aryl Iodides for Direct Sulfonamide Syntheses
Authors: Zhu Haibo , Shen Yajing , Deng Qinyue , Le Zhang‐Gao , Tu Tao 
Published: June 2017

AbstractA ligand‐free Pd/Cu‐catalyzed aminosulfonylation of aryl iodides has been successfully developed. The protocol provides a straightforward approach to access a broad range of structurally intriguing sulfonamides in one pot, at low catalyst loading from the sulfur dioxide surrogate 1,4‐diazabicyclo[2.2.2]octane bis(sulfur oxide) (DABSO) and O‐benzoyl hydroxylamines under mild conditions. Even without additional ligands, the protocol reveals broad substrate scope for both partners and tolerates all kinds of functional groups. Furthermore, the proposed sulfinate intermediate could be critical for this ligand‐free catalytic transformation.
Mechanistic Insight into Nanoparticle Surface Adsorption by Solution NMR Spectroscopy in an Aqueous Gel
Authors: Egner Timothy K. , Naik Pranjali , Nelson Nicholas C. , Slowing Igor I. , Venditti Vincenzo 
Published: June 2017

AbstractEngineering nanoparticle (NP) functions at the molecular level requires a detailed understanding of the dynamic processes occurring at the NP surface. Herein we show that a combination of dark‐state exchange saturation transfer (DEST) and relaxation dispersion (RD) NMR experiments on gel‐stabilized NP samples enables the accurate determination of the kinetics and thermodynamics of adsorption. We used the former approach to describe the interaction of cholic acid (CA) and phenol (PhOH) with ceria NPs with a diameter of approximately 200 nm. Whereas CA formed weak interactions with the NPs, PhOH was tightly bound to the NP surface. Interestingly, we found that the adsorption of PhOH proceeds via an intermediate, weakly bound state in which the small molecule has residual degrees of rotational diffusion. We believe the use of aqueous gels for stabilizing NP samples will increase the applicability of solution NMR methods to the characterization of nanomaterials.
Influence of 2,2′,6,6′‐tetramethyl biphenol‐based anion‐exchange membranes on the diffusion dialysis of hydrochloride acid
Authors: Yue Xi , Wu Wenjun , Chen Guodong , Yang Canrui , Liao Shijun , Li Xiuhua 
Published: June 2017

ABSTRACTQuaternary ammonium functionalized poly(arylene ether) (QPAE‐Br) membranes based on 2,2′,6,6′‐tetramethyl biphenol for diffusion dialysis (DD) were designed and successfully fabricated via nucleophilic substitution polycondensation, bromination, film casting, and quaternization. The structures, thicknesses, ion‐exchange capacities (IECs), water uptakes, swelling ratios, ion conductivities, and mechanical properties of QPAE‐Br were used to characterize the membranes. The influence of the membrane structures on the DD performances was investigated by DD tests of simulated industrial pickling wastewater (1 mol/L HCl, 0.1 mol/L FeCl2). The DD results show QPAE‐a (IEC = 1.51 mmol/g) as the best DD candidate. Predialysis treatments further improved the DD performances of QPAE‐Br. QPAE‐a exhibited an excellent proton diffusion coefficient (
) of 0.033 m/h and a high separation factor (S) of 95.45 after the predialysis treatment at room temperature; these values were much higher than those of the commercial DF‐120B membrane (0.004 m/h for
and 24.3 for S at 25 °C) and other reported DD membranes. QPAE‐a has great potential for acid recovery via DD. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45333.
Structure and properties of a compatible starch‐PCL composite using p‐phthaloyl chloride‐based prepolymer
Authors: Liu Ting , Koranteng Ernest , Wu Zhengshun , Xiao Wang , Wu Qiangxian 
Published: June 2017

ABSTRACTBiodegradable composites from starch and hydrophobic polymer usually show poor compatibility. A novel p‐phthaloyl chloride‐based prepolymer (PCP) compatibilizer based on p‐phthaloyl chloride and polycaprolactone (PCL) diol (2000) was synthesized successfully and the chemical structure was characterized by Fourier transform infrared spectra and 1H nuclear magnetic resonance (NMR). The PCP compatiblizer was mixed with starch granules to form a coating layer, and then the coated starch granules were melt‐compounded with PCL plastic to prepare compatible starch‐PCL composites with enhanced properties. The structural, mechanical, thermal properties, and water absorption of the composites were then investigated. It was found that the composites containing the PCP compatibilizer showed better interfacial interaction and compatibility between starch and PCL domains compared to the pure starch‐PCL composite, which led to the improved mechanical properties of the composites. The results were attributed to the ester linkage between the PCP compatibilizer and starch as well as the strong physical crosslinking between the PCP compatibilizer and PCL plastic through PCL‐PCL crystallinity. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45400.
Remarkable improvement of thermal stability of main‐chain benzoxazine oligomer by incorporating o‐norbornene as terminal functionality
Authors: Zhang Kan , Qiu Jiaming , Li Songjun , Shang Zhikun , Wang Jinyun 
Published: June 2017

ABSTRACTA new main‐chain benzoxazine oligomer with o‐norbornene functionality as end groups has been designed and synthesized. As compared to traditional main‐chain type benzoxazine polymers, this benzoxazine oligomer with o‐norbornene terminal functionality can undergo further crosslinking polymerization after general ring‐opening polymerization of oxazine rings. Another main‐chain benzoxazine oligomer has also been designed based on the reaction of bisphenol‐A, 4,4′‐diaminodiphenylmethane, paraformaldehyde, and phenol for comparison. The structure of the synthesized oligomers is confirmed by 1H nuclear magnetic resonance spectroscopy and Fourier transform infrared spectroscopy (FTIR). The molecular weight has been determined by using gel permeation chromatography (GPC). The benzoxazine oligomer containing o‐norbornene functionality can polymerize with multiple polymerization mechanisms rather than the single mechanism common to traditional 1,3‐benzoxazine resins. The polymerization mechanisms are monitored by in situ FTIR and differential scanning calorimetry (DSC). Moreover, the thermoset derived from the benzoxazine oligomer containing o‐norbornene functionality exhibits high thermal stability with the transition temperature of 360 °C and a high Td5 of 404 °C. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45408.
Critical Issues on Kalman Filter with Colored and Correlated System Noises
Authors: Zhou Zebo , Wu Jin , Li Yong , Fu Chen , Fourati Hassen 
Published: June 2017

AbstractThe Kalman filtering (KF) is optimal under the assumption that both process and observation noises are independent white Gaussian noise. However, this assumption is not always satisfied in real‐world navigation campaigns. In this paper, two types of KF methods are investigated, i.e. augmented KF (AKF) and the second moment information based KF (SMIKF) with colored system noises, including process and observation noises. As a popular noise‐whitening method, the principle of AKF is briefly reviewed for dealing with the colored system noises. The SMIKF method is developed for the colored and correlated system noises, which directly compensates for the covariance through stochastic model in the sense of minimum mean square error. To accurately implement the SMIKF, a refined SMIKF is further derived regarding the continuous‐time dynamic model rather than the discrete one. The computational burdens of the proposed SMIKF along with representative methods are analyzed and compared. The simulation results demonstrate the performances of proposed methods.
Human Urinary kallidinogenase promotes good recovery in ischemic stroke patients with level 3 hypertension
Authors: Wu Danhong , Lyu Yi , Zhong Ping , Liu Fengdi , Liu Xueyuan 
Published: June 2017

AbstractAimTo evaluate the clinical efficacy of Human Urinary kallidinogenase (HUK) in the treatment of acute ischemic stroke (AIS) patients with level 3 hypertension.MethodsIn this retrospective study, from January 2015 to June 2016, 150 consecutive AIS patients were registered in our database. Among them, 47 with level 3 hypertension received either HUK treatment (HUK group, 22 cases) or basic treatment (control group, 25 cases). Basic treatment was administrated on all patients. 0.15 PNA unit of HUK injection plus 100 ml saline in intravenous infusion was performed in the HUK group, with once a day for 14 consecutive days. The modified Rankin Scale (mRS) scores in two groups were analyzed 3 months after the treatment.ResultsNo difference was found in the NIHSS scores, age, gender, and comorbidities between two groups before treatment (p > .05). While after treatment, 3‐month mRS score was significantly lower in the HUK group (2.1 ± 1.4 vs. 3.1 ± 1.3, p = .012) and good recovery rate (3‐month mRS score ≤2) in the HUK group was significantly higher than that in the control group (p < .05).ConclusionHUK is able to promote long‐term recovery for AIS patients with level 3 hypertension remarkably.
Genetic variants of cell cycle pathway genes predict disease‐free survival of hepatocellular carcinoma
Authors: Liu Shun , Yang Tian‐Bo , Nan Yue‐Li , Li An‐Hua , Pan Dong‐Xiang , Xu Yang , Li Shu , Li Ting , Zeng Xiao‐Yun , Qiu Xiao‐Qiang 
Published: June 2017

AbstractDisruption of the cell cycle pathway has previously been related to development of human cancers. However, associations between genetic variants of cell cycle pathway genes and prognosis of hepatocellular carcinoma (HCC) remain largely unknown. In this study, we evaluated the associations between 24 potential functional single nucleotide polymorphisms (SNPs) of 16 main cell cycle pathway genes and disease‐free survival (DFS) of 271 HCC patients who had undergone radical surgery resection. We identified two SNPs, i.e., SMAD3 rs11556090 A>G and RBL2 rs3929G>C, that were independently predictive of DFS in an additive genetic model with false‐positive report probability (FPRP) <0.2. The SMAD3 rs11556090G allele was associated with a poorer DFS, compared with the A allele [hazard ratio (HR) = 1.46, 95% confidential interval (95% CI) = 1.13–1.89, P = 0.004]; while the RBL2 rs3929 C allele was associated with a superior DFS, compared with the G allele (HR = 0.74, 95% CI = 0.57–0.96, P = 0.023). Additionally, patients with an increasing number of unfavorable genotypes (NUGs) of these loci had a significant shorter DFS (Ptrend = 0.0001). Further analysis using receiver operating characteristic (ROC) curves showed that the model including the NUGs and known prognostic clinical variables demonstrated a significant improvement in predicting the 1‐year DFS (P = 0.011). Moreover, the RBL2 rs3929 C allele was significantly associated with increased mRNA expression levels of RBL2 in liver tissue (P = 1.8 × 10−7) and the whole blood (P = 3.9 × 10−14). Our data demonstrated an independent or a joint effect of SMAD3 rs11556090 and RBL2 rs3929 in the cell cycle pathway on DFS of HCC, which need to be validated by large cohort and biological studies.
Protein lysine methyltransferase SMYD3 is involved in tumorigenesis through regulation of HER2 homodimerization
Authors: Yoshioka Yuichiro , Suzuki Takehiro , Matsuo Yo , Tsurita Giichiro , Watanabe Toshiaki , Dohmae Naoshi , Nakamura Yusuke , Hamamoto Ryuji 
Published: June 2017

AbstractHER2 is a receptor tyrosine kinase, which is amplified and overexpressed in a subset of human cancers including breast and gastric cancers, and is indicated in its involvement in progression of cancer. Although its specific ligand(s) has not been detected, HER2 homodimerization, which is critical for its activation, is considered to be dependent on its expression levels. Here, we demonstrate a significant role of HER2 methylation by protein lysine methyltransferase SMYD3 in HER2 homodimerization. We found that SMYD3 trimethylates HER2 protein at lysine 175. HER2 homodimerization was enhanced in the presence of SMYD3, and substitution of lysine 175 of HER2 with alanine (HER2‐K175A) reduced the formation of HER2 homodimers. Furthermore, HER2‐K175A revealed lower level of autophosphorylation than wild‐type HER2. We also identified that knockdown of SMYD3 attenuated this autophosphorylation in breast cancer cells. Our results imply that SMYD3‐mediated methylation of HER2 at Lysine 175 may regulate the formation of HER2 homodimer and subsequent autophosphorylation and suggest that the SMYD3‐mediated methylation pathway seems to be a good target for development of novel anti‐cancer therapy.
Switching Futile para‐Quinone to Efficient Reactive Oxygen Species Generator: Ubiquitin‐Specific Protease‐2 Inhibition, Electrocatalysis, and Quantification
Authors: Gopinath Pushparathinam , Mahammed Atif , Eilon‐Shaffer Tal , Nawatha Mickal , Ohayon Shimrit , Shabat Doron , Gross Zeev , Brik Ashraf 
Published: June 2017

AbstractUnderstanding the correlation between structural features of small‐molecule drugs and their mode of action is a fascinating topic and crucial for the drug‐discovery process. However, in many cases, knowledge of the exact parameters that dictate the mode of action is still lacking. Following a large screening for ubiquitin specific protease 2 (USP2) inhibition, an effective para‐quinone‐based inhibitor with an unclear mode of action was identified. To gain a deeper understanding of the mechanism of inhibition, a set of para‐quinones were prepared and studied for USP2 inhibition, electrocatalysis, and reactive oxygen species (ROS) quantification. The excellent correlation obtained from the above‐mentioned studies disclosed a distinct pattern of “N−C=O−N” in the bicyclic para‐quinones to be a crucial factor for ROS generation, and demonstrated that minor changes in such a skeleton drastically altered the ROS‐generating ability. The knowledge acquired herein would serve as an important guideline for future medicinal chemistry optimization of related structures to select the preferred mode of action.
Fabrication of Amine and Zirconia on MCM‐41 as Acid–Base Catalysts for the Fixation of Carbon Dioxide
Authors: Saptal Vitthal B. , Nanda Binita , Parida Kulamani M. , Bhanage Bhalchandra M. 
Published: June 2017

AbstractHighly porous catalysts based on MCM‐41 with both acidic and basic sites such as ZrO2 as an acid and (3‐aminopropyl)triethoxysilane as a mild base are fabricated and characterized thoroughly by using XRD, SEM, thermogravimetric analysis, temperature‐programmed reduction, desorption, oxidation, BET surface area analysis, energy‐dispersive X‐ray spectroscopy, X‐ray photoelectron spectroscopy, and IR spectroscopy. This catalyst shows a synergistic effect for the activation of epoxide as well as CO2 to synthesize cyclic carbonates. The presence of the free amine functional group activates CO2 by absorption, whereas the presence of Zr metal activates the epoxide ring. The effect of the amine and catalyst loading on the cycloaddition reaction was studied. Additionally, the cycloaddition reaction proceeds under solvent‐free and mild conditions, and the catalysts are recyclable.
Microbubble Formation in a Co‐flowing Liquid in a Microfluidic Chip
Authors: Li Peng , Zhang Hui , Jiang Shengyuan , Qin Hongwei , Ren Yukun , Sun Lixia 
Published: June 2017

AbstractMicrobubble formation from a capillary tube surrounded by a co‐flowing liquid (CFL) in a mechanically assembled microfluidic chip is investigated. The influences of gas pressure and liquid flow rate on the growth and detachment of the target microbubble are studied both experimentally and theoretically. A phenomenological theoretical model which consists of an expansion stage and a detachment stage is proposed based on a previous study to predict the detachment volume and formation time of microbubbles. The detachment distance is investigated experimentally in detail and later applied to the theoretical model. A MATLAB/Simulink simulation model is built for the solution of the proposed theoretical model. Model predictions correlate well with the experimental data in the present study.
Syntheses, Structures, and Solution Studies of Multicomponent Macrocycles and Cages Based on Versatile Ligands
Authors: Zhang Ying‐Ying , Gao Wen‐Xi , Lin Yue‐Jian , Mi Li‐Wei , Jin Guo‐Xin 
Published: June 2017

AbstractDifferent types of multinuclear half‐sandwich rhodium macrocycles and cages were designed and synthesized by using two similar multifunctional hydroxamate ligands (pyrazine‐2‐hydroxamic acid (NaHL1) and 4,4′‐bipyridine‐2‐hydroxamic acid (KHL2)) featuring one monodentate site and two pairs of chelating sites. The RhIII–PdII heterometallic macrocycles were constructed by using the semi‐open palladium(II) source [Pd(en)Cl2] with two free acceptor sites. However, only one kind of macrocycle was found when the shorter ligand L1 was used, while in for the larger ligand, various spectroscopic techniques demonstrated the coexistence of hexanuclear and octanuclear macrocycles in solution and the proportions of both components depended on concentration and temperature. The palladium salt Pd(NO3)2, as a source of “naked” Pd2+, was introduced to assemble the cuboid‐shaped cage composed of two types of metal ions and three types of organic ligands. In addition, two silver(I)‐containing mixed‐metal complexes bridged by pyrazine were obtained, in which two forms of decanuclear complex with C2v and C2h point symmetry cocrystallized—one is a polymeric structure and the other is a discrete cage. However, the third form, with D2 point symmetry, was found in the larger cage.
DNA mismatch repair deficiency and hereditary syndromes in Latino patients with colorectal cancer
Authors: Ricker Charité N. , Hanna Diana L. , Peng Cheng , Nguyen Nathalie T. , Stern Mariana C. , Schmit Stephanie L. , Idos Greg E. , Patel Ravi , Tsai Steven , Ramirez Veronica , Lin Sonia , Shamasunadara Vinay , Barzi Afsaneh , Lenz Heinz‐Josef , Figueiredo Jane C. 
Published: June 2017

BACKGROUNDThe landscape of hereditary syndromes and clinicopathologic characteristics among US Latino/Hispanic individuals with colorectal cancer (CRC) remains poorly understood.METHODSA total of 265 patients with CRC who were enrolled in the Hispanic Colorectal Cancer Study were included in the current study. Information regarding CRC risk factors was elicited through interviews, and treatment and survival data were abstracted from clinical charts. Tumor studies and germline genetic testing results were collected from medical records or performed using standard molecular methods.RESULTSThe mean age of the patients at the time of diagnosis was 53.7 years (standard deviation, 10.3 years), and 48.3% were female. Overall, 21.2% of patients reported a first‐degree or second‐degree relative with CRC; 3.4% met Amsterdam I/II criteria. With respect to Bethesda guidelines, 38.5% of patients met at least 1 criterion. Of the 161 individuals who had immunohistochemistry and/or microsatellite instability testing performed, 21 (13.0%) had mismatch repair (MMR)‐deficient (dMMR) tumors. dMMR tumors were associated with female sex (61.9%), earlier age at the time of diagnosis (50.4 ± 12.4 years), proximal location (61.9%), and first‐degree (23.8%) or second‐degree (9.5%) family history of CRC. Among individuals with dMMR tumors, 13 (61.9%) had a germline MMR mutation (MutL homolog 1 [MLH1] in 6 patients; MutS homolog 2 [MSH2] in 4 patients; MutS homolog 6 [MHS6] in 2 patients; and PMS1 homolog 2, mismatch repair system component [PMS2] in 1 patient). The authors identified 2 additional MLH1 mutation carriers by genetic testing who had not received immunohistochemistry/microsatellite instability testing. In total, 5.7% of the entire cohort were confirmed to have Lynch syndrome. In addition, 6 individuals (2.3%) had a polyposis phenotype.CONCLUSIONSThe percentage of dMMR tumors noted among Latino individuals (13%) is similar to estimates in non‐Hispanic white individuals. In the current study, the majority of individuals with dMMR tumors were confirmed to have Lynch syndrome. Cancer 2017. © 2017 The Authors. Cancer published by Wiley Periodicals, Inc. on behalf of American Cancer Society. Cancer 2017;123:3732–3743. © 2017 American Cancer Society
The impact of cancer drug wastage on economic evaluations
Authors: Truong Judy , Cheung Matthew C. , Mai Helen , Letargo Jessa , Chambers Alexandra , Sabharwal Mona , Trudeau Maureen E. , Chan Kelvin K. W. 
Published: June 2017

BACKGROUNDThe objective of this study was to determine the impact of modeling cancer drug wastage in economic evaluations because wastage can result from single‐dose vials on account of body surface area– or weight‐based dosing.METHODSIntravenous chemotherapy drugs were identified from the pan‐Canadian Oncology Drug Review (pCODR) program as of January 2015. Economic evaluations performed by drug manufacturers and pCODR were reviewed. Cost‐effectiveness analyses and budget impact analyses were conducted for no‐wastage and maximum‐wastage scenarios (ie, the entire unused portion of the vial was discarded at each infusion). Sensitivity analyses were performed for a range of body surface areas and weights.RESULTSTwelve drugs used for 17 indications were analyzed. Wastage was reported (ie, assumptions were explicit) in 71% of the models and was incorporated into 53% by manufacturers; this resulted in a mean incremental cost‐effectiveness ratio increase of 6.1% (range, 1.3%‐14.6%). pCODR reported and incorporated wastage for 59% of the models, and this resulted in a mean incremental cost‐effectiveness ratio increase of 15.0% (range, 2.6%‐48.2%). In the maximum‐wastage scenario, there was a mean increase in the incremental cost‐effectiveness ratio of 24.0% (range, 0.0%‐97.2%), a mean increase in the 3‐year total incremental budget costs of 26.0% (range, 0.0%‐83.1%), and an increase in the 3‐year total incremental drug budget cost of approximately CaD $102 million nationally. Changing the mean body surface area or body weight caused 45% of the drugs to have a change in the vial size and/or quantity, and this resulted in increased drug costs.CONCLUSIONSCancer drug wastage can increase drug costs but is not uniformly modeled in economic evaluations. Cancer 2017;123:3583‐90. © 2017 American Cancer Society.
Ovarian polarity and cell shape determination by Btk29A in Drosophila
Authors: Hamada‐Kawaguchi Noriko , Yamamoto Daisuke 
Published: June 2017

AbstractDrosophila Btk29A is a Tec family nonreceptor tyrosine kinase, the ortholog of which causes X‐linked agammaglobulinemia in humans when mutant. In Btk29AficP mutant ovaries, multiple defects are observed: extrapolar cells form ectopically; osk mRNA fails to accumulate posteriorly in mature oocytes; the shape and alignment of follicle cells are grossly distorted. All these phenotypes are rescued by selectively overexpressing the type 2 isoform of wild‐type Btk29A in follicle cells. Expression of certain proteins enriched in adherens junctions is markedly affected in Btk29AficP mutants; the anterior–posterior gradient normally observed in the expression of DE‐Cadherin and Armadillo are lost and Canoe is sequestered from adherens junctions. Intriguingly, tyrosine phosphorylation of Canoe is reduced in Btk29AficP mutants. It is proposed that Btk29A is required for the establishment of egg chamber polarity presumably through the regulation of subcellular localization of its downstream proteins, including Cno.