bluuebunny/crossref_metadata_2025_split huggingface dataset:
Host–Guest Chemistry Within Cellulose Nanocrystal Gel Receptors
Authors: Zhang Dongjie , Soto Miguel A. , Lewis Lev , Hamad Wadood Y. , MacLachlan Mark J. 
Published: January 2020

AbstractCellulose nanocrystals (CNCs) spontaneously assemble into gels when mixed with a polyionic organic or inorganic salt. Here, we have used this ion‐induced gelation strategy to create functional CNC gels with a rigid tetracationic macrocycle, cyclobis(paraquat‐p‐phenylene) (CBPQT4+). Addition of [CBPQT]Cl4 to CNCs causes gelation and embeds an active host inside the material. The fabricated CNC gels can reversibly absorb guest molecules from solution then undergo molecular recognition processes that create colorful host–guest complexes. These materials have been implemented in gel chromatography (for guest exchange and separation), and as elements to encode 2‐ and 3‐dimensional patterns. We anticipate that this concept might be extended to design a set of responsive and selective gel‐like materials functioning as, for instance, water‐pollutant scavengers, substrates for chiral separations, or molecular flasks.
NHC/Nickel(II)‐Catalyzed [3+2] Cross‐Dimerization of Unactivated Olefins and Methylenecyclopropanes
Authors: Huang Jian‐Qiang , Ho Chun‐Yu 
Published: January 2020

AbstractCross‐dimerization of a methylenecyclopropane (1) and an unactivated alkene (2) with typical hydroalkenylation reactivity was observed for the first time by using a [NHC‐Ni(allyl)]BArF catalyst (NHC=N‐heterocyclic carbene). Results show that the C−C cleavage of 1 did not involve a Ni0 oxidative addition, which was crucial in former systems. Thus the method reported here emerges as a complementary method for attaining highly chemo‐ and regioselective synthesis of methylenecyclopentanes (3) with broad scope. An efficient NHC/NiII‐catalyzed rearrangement of 1 leads to the convergent synthesis of 3 in the presence of 2.
Crosstalk‐Free Patterning of Cooperative‐Thermoresponse Images by the Synergy of the AIEgen with the Liquid Crystal
Authors: Zhao Ye , Zhao Xiaoyu , Li Ming‐De , Li Zhong'an , Peng Haiyan , Xie Xiaolin 
Published: January 2020

AbstractPatterning multiple images within a single element without crosstalk can significantly increase the information capacity and security, but it is challenging to enable the response capability in each image. Now, the patterning of crosstalk‐free yet cooperative‐thermoresponse images (holographic and fluorescent images) is successfully achieved by designing a liquid crystal (LC)/AIEgen system with a unique synergy. The AIEgen's fluorescence intensity is controlled by the LC, while the LC's phase transition is in turn promoted by the AIEgen. The fluorescent image contrast is significantly boosted by efficient energy transfer (ΦET: 96 %) from the LC to the AIEgen. The AIEgen's photocyclization for fluorescent patterning occurs in a zero‐order kinetic manner and can be completed within several minutes when assisted by the LC. The photocyclization conversion is quantitatively dependent on the aggregation size: α∼exp(‐d), and able to reach as high as 98 %.
Efficient Solar‐Driven Water Harvesting from Arid Air with Metal–Organic Frameworks Modified by Hygroscopic Salt
Authors: Xu Jiaxing , Li Tingxian , Chao Jingwei , Wu Si , Yan Taisen , Li Wenchen , Cao Biye , Wang Ruzhu 
Published: January 2020

AbstractFreshwater scarcity is a global challenge threatening human survival, especially for people living in arid regions. Sorption‐based atmospheric water harvesting (AWH) is an appealing way to solve this problem. However, the state‐of‐the‐art AWH technologies have poor water harvesting performance in arid climates owing to the low water sorption capacity of common sorbents under low humidity conditions. We report a high‐performance composite sorbent for efficient water harvesting from arid air by confining hygroscopic salt in a metal–organic framework matrix (LiCl@MIL‐101(Cr)). The composite sorbent shows 0.77 g g−1 water sorption capacity at 1.2 kPa vapor pressure (30 % relative humidity at 30 °C) by integrating the multi‐step sorption processes of salt chemisorption, deliquescence, and solution absorption. A highly efficient AWH prototype is demonstrated with LiCl@MIL‐101(Cr) that can enable the harvesting of 0.45–0.7 kg water per kilogram of material under laboratory and outdoor ambient conditions powered by natural sunlight without optical concentration and additional energy input.
Designing Covalent Organic Frameworks with a Tailored Ionic Interface for Ion Transport across One‐Dimensional Channels
Authors: Xu Qing , Tao Shanshan , Jiang Qiuhong , Jiang Donglin 
Published: January 2020

AbstractA strategy based on covalent organic frameworks for ultrafast ion transport involves designing an ionic interface to mediate ion motion. Electrolyte chains were integrated onto the walls of one‐dimensional channels to construct ionic frameworks via pore surface engineering, so that the ionic interface can be systematically tuned at the desired composition and density. This strategy enables a quantitative correlation between interface and ion transport and unveils a full picture of managing ionic interface to achieve high‐rate ion transport. Moreover, the effect of interfaces was scaled on ion transport; ion mobility is increased in an exponential mode with the ionic interface. This strategy not only sets a benchmark system but also offers a general guidance for designing ionic interface that is key to systems for energy conversion and storage.
A Comparison of Two Isoreticular Metal–Organic Frameworks with Cationic and Neutral Skeletons: Stability, Mechanism, and Catalytic Activity
Authors: Huang Ge , Yang Li , Yin Qi , Fang Zhi‐Bin , Hu Xiao‐Jing , Zhang An‐An , Jiang Jun , Liu Tian‐Fu , Cao Rong 
Published: January 2020

AbstractAlthough many ionic metal–organic frameworks (MOFs) have been reported, little is known about how the charge of the skeleton affects the properties of the MOF materials. Herein we report how the chemical stability of MOFs can be substantially improved through embedding electrostatic interactions in structure. A MOF with a cationic skeleton is impervious to extremely acidic, oxidative, reductive, and high ionic strength conditions, such as 12 m HCl (301 days), aqua regia (86 days), H2O2 (30 days), and seawater (30 days), which is unprecedented for MOFs. DFT calculations suggested that steric hinderance and the repulsive interaction of the cationic framework toward positively charged species in microenvironments protects the vulnerable bonds in the structure. Diverse functionalities can be bestowed by substituting the counterions of the charged framework with identically charged functional species, which broadens the horizon in the design of MOFs adaptable to a demanding environment with specific functionalities.
B(C6F5)3/Chiral Phosphoric Acid Catalyzed Ketimine–Ene Reaction of 2‐Aryl‐3H‐indol‐3‐ones and α‐Methylstyrenes
Authors: Zhang Qing‐Xia , Li Yao , Wang Jie , Yang Chen , Liu Cheng‐Jun , Li Xin , Cheng Jin‐Pei 
Published: January 2020

AbstractThe enantioselective ketimine–ene reaction is one of the most challenging stereocontrolled reaction types in organic synthesis. In this work, catalytic enantioselective ketimine–ene reactions of 2‐aryl‐3H‐indol‐3‐ones with α‐methylstyrenes were achieved by utilizing a B(C6F5)3/chiral phosphoric acid (CPA) catalyst. These ketimine–ene reactions proceed well with low catalyst loading (B(C6F5)3/CPA=2 mol %/2 mol %) under mild conditions, providing rapid and facile access to a series of functionalized 2‐allyl‐indolin‐3‐ones with very good reactivity (up to 99 % yield) and excellent enantioselectivity (up to 99 %ee). Theoretical calculations reveal that enhancement of the acidity of the chiral phosphoric acid by B(C6F5)3significantly reduces the activation free energy barrier. Furthermore, collective favorable hydrogen‐bonding interactions, especially the enhanced N−H⋅⋅⋅O hydrogen‐bonding interaction, differentiates the free energy of the transition states of CPA and B(C6F5)3/CPA, thereby inducing the improvement of stereoselectivity.
Potent Dual BET/HDAC Inhibitors for Efficient Treatment of Pancreatic Cancer
Authors: He Shipeng , Dong Guoqiang , Li Yu , Wu Shanchao , Wang Wei , Sheng Chunquan 
Published: January 2020

AbstractAs one of the most aggressive and lethal human malignancies with extremely poor prognosis, there is an urgent demand of more effective therapy for the treatment of pancreatic cancer. Reported here is a new, effective therapeutic strategy and the design of small‐molecule inhibitors that simultaneously target bromodomain and extra‐terminal (BET) and histone deacetylase (HDAC), potentially serving as promising therapeutic agents for pancreatic cancer. A highly potent dual inhibitor (13 a) is identified to possess excellent and balanced activities against BRD4 BD1 (IC50=11 nm) and HDAC1 (IC50=21 nm). Notably, this compound shows higher in vitro and in vivo antitumor potency than the BET inhibitor (+)‐JQ1 and the HDAC inhibitor vorinostat, either alone or and in combination, highlighting the advantages of BET/HDAC dual inhibitors for more effective treatment of pancreatic cancer.
Solid‐Phase Total Synthesis of Yaku'amide B Enabled by Traceless Staudinger Ligation
Authors: Itoh Hiroaki , Miura Kensuke , Kamiya Koichi , Yamashita Tomoya , Inoue Masayuki 
Published: January 2020

AbstractWe report a solid‐phase strategy for total synthesis of the peptidic natural product yaku'amide B (1), which exhibits antiproliferative activity against various cancer cells. Its linear tridecapeptide sequence bears four β,β‐dialkylated α,β‐dehydroamino acid residues and is capped with an N‐terminal acyl group (NTA) and a C‐terminal amine (CTA). To realize the Fmoc‐based solid‐phase synthesis of this complex structure, we developed new methods for enamide formation, enamide deprotection, and C‐terminal modification. First, traceless Staudinger ligation enabled enamide formation between sterically encumbered alkenyl azides and newly designed phosphinophenol esters. Second, application of Eu(OTf)3 led to chemoselective removal of the enamide Boc groups without detaching the resin linker. Finally, resin‐cleavage and C‐terminus modification were simultaneously achieved with an ester–amide exchange reaction using CTA and AlMe3 to deliver 1 in 9.1 % overall yield (24 steps from the resin).
Molecular Evidence for Metallic Cobalt Boosting CO2 Electroreduction on Pyridinic Nitrogen
Authors: He Chao , Zhang Yun , Zhang Yuefeng , Zhao Lu , Yuan Lu‐Pan , Zhang Jianan , Ma Jianmin , Hu Jin‐Song 
Published: January 2020

AbstractNitrogen‐doped carbon materials (N‐Cmat) are emerging as low‐cost metal‐free electrocatalysts for the electrochemical CO2 reduction reaction (CO2RR), although the activities are still unsatisfactory and the genuine active site is still under debate. We demonstrate that the CO2RR to CO preferentially takes place on pyridinic N rather than pyrrolic N using phthalocyanine (Pc) and porphyrin with well‐defined N‐Cmat configurations as molecular model catalysts. Systematic experiments and theoretic calculations further reveal that the CO2RR performance on pyridinic N can be significantly boosted by electronic modulation from in‐situ‐generated metallic Co nanoparticles. By introducing Co nanoparticles, Co@Pc/C can achieve a Faradaic efficiency of 84 % and CO current density of 28 mA cm−2 at −0.9 V, which are 18 and 47 times higher than Pc/C without Co, respectively. These findings provide new insights into the CO2RR on N‐Cmat, which may guide the exploration of cost‐effective electrocatalysts for efficient CO2 reduction.
Lactone monomers obtained by enzyme catalysis and their use in reversible thermoresponsive networks
Authors: Farhat Wissam , Biundo Antonino , Stamm Arne , Malmström Eva , Syrén Per‐Olof 
Published: January 2020

ABSTRACTEnzyme‐catalyzed transformations have a great potential in both the pharmaceutical and chemical industry to achieve complex and (stereo)selective synthesis under mild reaction conditions. Still, the implementation of biocatalysis in the prerequisite upgrading of inert synthons into activated monomers for polymer applications has not yet been fully realized. In this contribution, we show that scaled‐up synthesis of bicyclic norcamphor lactone using an engineered Baeyer–Villiger monooxygenase (BVMO) is feasible to reach complete conversion of the corresponding ketone in 24 h in shake‐flask. The lactone monomer obtained by enzyme catalysis was copolymerized with ε‐caprolactone via ring‐opening polymerization to study the impact of the additional ring on material properties. Moreover, four‐arm star‐like, homo and block copolymers were designed from ε‐caprolactone, ε‐decalactone, and norcamphor lactone and characterized for their structural and thermal properties. These newly explored macromolecules were functionalized with furan rings using the enzyme Candida antarctica lipase B which allowed the formation of thermolabile networks via the pericyclic reaction with bismaleimide by means of Diels–Alder chemistry. The bonding/debonding state of these star‐like based materials can be tuned by a suitable selection of thermal treatment. The temperature‐dependent reversibility was assessed by thermal analysis and solubility test. Our results presented here shed light on the high potential of the use of chemoenzymatic approaches in the synthesis of new functional materials with tuned physiochemical properties. © 2020 The Authors. Journal of Applied Polymer Science published by Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48949.
High‐performance poly(vinylidene fluoride)‐polyamide 11/lithium niobate nanocomposites for the applications in air filtration
Authors: Yuan Yali , Dong Chenglei , Zhao Jun , Liu Yaoyi , Shao Yiqin , Li Jinzhen , Zhong Chen , Ye Lin , Song Rui , Zhang Hui , Zhang Zhong 
Published: January 2020

ABSTRACTTo overcome the fiber‐spinning problem of poly(vinylidene fluoride) (PVDF) because of its high melt viscosity and rapid crystallization, polyamide 11 (PA11) with excellent melt spinning capability and good electret properties is incorporated to prepare blends by melt mixing. Their crystal structure, morphology, electrical polarization properties, and melt spinning performance are systematically characterized by various techniques. It is found that the incorporation of PA11 reduces the crystallinity of PVDF, increases its thermally stimulated discharge current, and reduces its viscosity. Therefore, the blends show much better melt spinning capability. For such blends, the addition of outstanding inorganic electret materials, lithium niobate (LiNbO3, LN) nanoparticles is found to further improve the materials’ electret properties. Such a strategy is proved to be successful in melt spinning PVDF electrets into fine fibers, which is beneficial to their applications in air filtration and other related fields. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48957.
Benthic foraminifera as proxies of marine influence in the Orosei marine caves, Sardinia, Italy
Authors: Romano Elena , Bergamin Luisa , Di Bella Letizia , Frezza Virgilio , Marassich Andrea , Pierfranceschi Giancarlo , Provenzani Claudio 
Published: January 2020

Abstract

As a result of their location at the boundary between marine and continental domains, marine caves are affected by wide spatial and seasonal environmental changes. Only recently have benthic foraminifera been recognized as reliable indicators for the ecological zonation of these environments.
The present study is focused on two marine caves of the Orosei Gulf, Sardinia, Italy: Bue Marino and Bel Torrente. It investigates the spatial and seasonal variability of benthic foraminiferal assemblages relative to sediment grain size and water parameters (temperature, salinity, pH, and dissolved oxygen) collected during two campaigns in August 2014 and April 2015. The results from 2014 have been partially published.
Based on a comparison of the results of the two campaigns, the considerable reduction of foraminiferal abundance in Bel Torrente was deduced to occur because of the strong freshwater flows occurring during the rainy season; in Bue Marino, the less severe water flow allowed the identification of both living and dead foraminifera, although strongly reduced in number. These identifications allowed benthic foraminifera to be used to define the ecological zonation.
Entrance, confluence, and transitional ecozones were identified in Bue Marino cave on the basis of species abundance. The second ecozone, not recognized in 2014, was correlated with plant debris at the confluence of the two cave branches. The other two ecozones, which are characterized by the faunal shift from hyaline‐ to agglutinated‐prevalent assemblages, were attributed to the gradient of abiotic parameters detected from the outer to the inner portions of the cave. In both campaigns the same ecozones were recognized in terms of species composition, with exceptions being found to different extents as a result of seasonal variability.
As the distribution of foraminiferal ecozones is conditioned by a decreasing gradient of marine influence, long‐term monitoring may be regarded as a promising tool for future studies on sea‐level change.
Association between maternal occupational exposure to polycyclic aromatic hydrocarbons and rare birth defects of the face and central nervous system
Authors: Santiago‐Colón Albeliz , Rocheleau Carissa M. , Chen I‐Chen , Sanderson Wayne , Waters Martha A. , Lawson Christina C. , Langlois Peter H. , Cragan Janet D. , Reefhuis Jennita ,   the National Birth Defects Prevention Study
Published: January 2020

AbstractBackgroundPrevious studies suggested associations between maternal smoking, a source of exposure to polycyclic aromatic hydrocarbons (PAHs) and other chemicals, and central nervous system and face birth defects; however, no previous studies have evaluated maternal occupational PAH exposure itself.MethodsJobs held in the periconceptional period were retrospectively assigned for occupational PAH exposures. Associations between maternal occupational PAH exposure and selected rare defects of the face (cataracts, microphthalmia, glaucoma, microtia, and choanal atresia) and central nervous system (holoprosencephaly, hydrocephaly, cerebellar hypoplasia, and Dandy‐Walker malformation) were evaluated using data from the National Birth Defects Prevention Study, a population‐based case–control study in the United States. Crude and adjusted odds ratios (ORs) with 95% confidence intervals were calculated to estimate associations between each evaluated defect and PAH exposure using multivariable logistic regression.ResultsFood and beverage serving, as well as cooks and food preparation occupations, were among the most frequent jobs held by exposed mothers. Cataracts, microtia, microphthalmia, and holoprosencephaly were significantly associated with PAH exposure with evidence of dose–response (P‐values for trend ≤.05). Hydrocephaly was associated with any PAH exposure, but not significant for trend. Sensitivity analyses that reduced possible sources of exposure misclassification tended to strengthen associations.ConclusionsThis is the first population‐based case–control study to evaluate associations between maternal occupational PAH exposures and these rare birth defects of the central nervous system and face.
Investigation of thermoluminescence glow curves in quartz extracted from the Central Eastern Desert, Egypt
Authors: Farouk Shrouk , El‐Azab Huda , Gad Ahmed , El‐Nashar Hassan , El‐Faramawy Nabil 
Published: January 2020

AbstractThe current study investigated the thermoluminescence (TL) properties of milky quartz samples collected from the Central Eastern Desert, Egypt. The crystallinity and the elemental concentrations of the milky quartz samples were examined using X‐ray diffraction and an atomic absorption spectrometer. Samples were irradiated using a gamma source at different doses from 250 mGy up to 2 kGy. For annealing, the samples were heated at 400°C for 1 h, followed by slow cooling. Kinetic analyses for the TL glow curves were performed using new designed TL deconvolution software. The glow curves were composed of six overlapped trapping sites at 428, 468, 498, 545, 586, and 639 K. The samples also displayed a linear dose–response from 0.25 Gy up to 20 Gy and a supralinear response from 20 Gy up to 200 Gy. The samples exhibited very low sensitivity for gamma radiation compared with LiF and the minimum detectable dose was 545 μGy. From its linear nature, it was observed that the sensitivity had changed. This study recommends starting measurements of these milky quartz samples after 4 days to give established measurements.
Shading operators from the Gray: Are novel radiation barriers or changing physician behaviors the best next step?
Authors: Vincent Logan L. , Dean Larry S. 
Published: January 2020

Key Points
Lead barriers to reduce operator radiation exposure in the catheterization laboratory are effective.
This study of a novel vertical radiation shield suggests significant reduction in operator radiation exposure when used in addition to standard protection methods.
Although additional barriers may help reduce radiation exposure, further education and training of operators in radiation safety may be as effective and perhaps more effective than additional barriers.
The CatLet score and outcome prediction in acute myocardial infarction for patients undergoing primary percutaneous intervention: A proof‐of‐concept study
Authors: Xu Ming‐Xing , Ruddy Terrence D. , Schoenhagen Paul , Bartel Thomas , Di Bartolomeo Roberto , von Kodolitsch Yskert , Escaned Javier , Shen Chengxing , He Yong‐Ming 
Published: January 2020

AbstractBackgroundThe Coronary Artery Tree description and Lesion EvaluaTion (CatLet) score accommodating the variability in coronary anatomy is a recently developed and comprehensive angiographic scoring system aimed at assisting in risk‐stratification of patients with coronary artery disease. However, a validation of this angiographic scoring system is lacking.MethodsThe CatLet score was calculated retrospectively in 308 consecutively enrolled patients with acute myocardial infarction (AMI) undergoing primary percutaneous coronary intervention. The primary endpoint, major adverse cardiac or cerebrovascular events (MACCEs), was stratified according to CatLet tertiles: CatLetlow ≤14 (n = 124), CatLetmid 15–21 (n = 82) and CatLettop ≥22 (n = 102).ResultsThe CatLet score alone or after adjusting for a broad spectrum of risk factors, significantly predicted clinical outcomes at a median 4.3‐year follow‐up. Multivariable‐adjusted hazard ratios (95%CI)/unit higher score were 1.05 (1.04–1.07) for MACCE, 1.06 (1.04–1.07) for cardiac death, and 1.05 (1.04–1.07) for all‐cause death. When compared to the SYNTAX score, improved discrimination and better calibration of this CatLet score resulted in a significantly refined risk stratification. The overall category‐free net reclassification improvement afforded by this CatLet score was as follows: 37.2% (p = .008) for MACCEs, 35.5% (p = .0249) for cardiac death, and 31.8% (p = .0316) for all‐cause death.ConclusionsThe ability to integrate the variability in coronary anatomy into angiographic scoring makes the CatLet score a more specific tool for outcome predictions in AMI. (http://www.chictr.org.cn. Unique identifiers: ChiCTR‐POC‐17013536).
Case report of an exercise training and nutritional intervention plan in a patient with A350P mutation in DES gene
Authors: Monje Camila , Jannas‐Vela Sebastian , Baar Keith , Zbinden‐Foncea Hermann 
Published: January 2020

AbstractPerforming a supplementation intervention with creatine and protein, in conjunction with low‐intensity endurance and resistance exercise is safe and has a positive effect on the quality of life in a patient with desminopathy.