bluuebunny/crossref_metadata_2025_split huggingface dataset:
How Nano‐Ions Act Like Ionic Surfactants
Authors: Hohenschutz Max , Grillo Isabelle , Diat Olivier , Bauduin Pierre 
Published: March 2020

AbstractRecently, nanometric ions were shown to adsorb to hydrated neutral surfaces and to bind to the cavities of macrocyclic molecules with an unexpectedly strong affinity arising from a solvent‐mediated effect named superchaotropicity. We show here that nano‐ions at low concentrations (μm range), similarly to anionic surfactants, induce the spontaneous transformation of a swollen lyotropic lamellar phase of non‐ionic surfactant into a vesicle phase. This transition occurs when the neutral lamellae acquire charges, either by adsorption of the nano‐ions onto, or by anchoring of the ionic surfactant into the lamellae. In contrast to ionic surfactants, nano‐ions strongly dehydrate the neutral surfactant assemblies. As a conclusion, these purely inorganic nanometric ions act as alternatives to the widely used organic ionic surfactants.
Quantitative Prediction of Aggregation‐Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra
Authors: Zhang Wei , Liu Jinfeng , Jin Xinsheng , Gu Xinggui , Zeng Xiao Cheng , He Xiao , Li Hui 
Published: March 2020

AbstractFull quantum mechanical (FQM) calculation of the excited state of aggregation‐induced‐emission (AIE) materials is highly sought but still a challenging task. Herein, we employed the recently developed electrostatically embedded generalized molecular fractionation (EE‐GMF) method, a method based on the systematic fragmentation approach, to predict, for the first time, the spectra of a prototype AIE fluorophore: di(p‐methoxylphenyl)dibenzofulvene (FTPE). Compared to the single molecular or QM/MM calculations, the EE‐GMF method shows significantly improved accuracy, nearly reproducing the experimental optical spectra of FTPE in both condensed phases. Importantly, we show that the conventional restriction of the intramolecular rotation mechanism cannot fully account for AIE, whereas the two‐body intermolecular quantum mechanical interaction plays a crucial role in AIE.
Synthesis, properties, and biodegradability of three‐branched copolyamide (4/6)
Authors: Kawasaki Norioki , Yamano Naoko , Nakayama Atsuyoshi 
Published: March 2020

AbstractPrevious studies on polyamide 4, excellent properties, functionalities, and biodegradation in natural condition have been shown. In this study, three‐branched (star‐shaped) copolyamides constituted of polyamide 4 and polyamide 6 constitutional unit were synthesized by anionic ring‐opening copolymerization of 2‐pyrrolidone with ε‐caprolactam. The thermal and mechanical properties and the biodegradability of the obtained copolyamides have been systematically investigated. The weight‐average molecular weight of the copolyamides was as high as tens of thousands (Mw 10–80 × 103 g/mol). The composition of the copolyamides was approximately in accord with the monomer feed ratio, thereby being controllable. The thermal and mechanical properties changed readily as the composition was varied (Tm 146–266°C, ΔHm 10–70 J/g, Td 278–369°C, tensile strength 28–64 MPa, elongation at break 80–750%). The copolyamide having 2‐pyrrolidone unit of 96–51 mol% exhibited biodegradability by an activated sludge. The biodegradation of the copolyamide proceeded uniformly without disproportion in constitutional unit.
Spherical shape poly(M‐POSS) micro/nano hybrid latex particles: One‐step synthesis and characterization
Authors: Kibar Güneş 
Published: March 2020

AbstractThis research introduces for the first time a simple one‐step synthesis method based on emulsion polymerization to obtain spherical shape poly(Methacryl‐Polyoctahedral Silsesquioxanes) “poly(M‐POSS)” micro/nano hybrid latex particles through a free radical mechanism. The polymerization parameters such as the ultrasound source, the amount of surfactant sodium dodecyl sulfate (SDS) and the addition of the cosurfactants SDS/polyvinylpyrrolidone K30 (PVP‐K30), and SDS/polyvinyl alcohol (PVA) in emulsion medium were investigated. The morphological, chemical, thermal, and crystalline properties of poly(M‐POSS), as a function of these parameters, were analyzed by means of scanning electron microscope, Fourier‐transform infrared spectroscopy, thermogravimetric analysis, and X‐ray diffraction, respectively. The ultrasound source was found to have no significant effect on the fınal properties of the particles. However, the addition of a cosurfactant plays a major role in the distribution and coagulation of the latex particles. The addition of PVA as a cosurfactant significantly decreased the coalescence behavior of the latex particles, whereas the addition of PVP‐K30 caused Ostwald ripening effect in over‐micron size particles. As a result, the poly(M‐POSS) micro/nano particles were obtained in spherical shape in the size range between 0.2 and 20 μm. They possess both organic and inorganic parts with thermal resistance up to 400°C, which potentially serve as coating or filler additive materials.
Handcuffed protectors? Palestinian fatherhood‐protection unlocking its chains
Authors: Otman Abeer 
Published: March 2020

AbstractThis article takes the reader through the social‐geographies and psycho‐politics of protection and fatherhood. It examines the challenges to fatherhood roles and modes in which Palestinian fathers protect their families and homes in the context of colonialism in Occupied East Jerusalem. It shares and engages with fathers' own voices and experiences, using a bottom‐up, feminist, and decolonial analysis to reveal the complexities, meanings, and concerns of fathers in their role as protectors. The voices gathered revealed a multilayered understanding of fathers' role as protectors in the framework of psychosocial modes, meanings, techniques, transformations, and acts within an insecure context.
Conservation status assessment and a new method for establishing conservation priorities for freshwater mussels (Bivalvia: Unionida) in the middle and lower reaches of the Yangtze River drainage
Authors: Liu Xiongjun , Yang Xue , Zanatta David T. , Lopes‐Lima Manuel , Bogan Arthur E. , Zieritz Alexandra , Ouyang Shan , Wu Xiaoping 
Published: March 2020

Abstract

The freshwater mussel (Unionida) fauna of the Yangtze River is among the most diverse on Earth. In recent decades, human activities have caused habitat degradation in the river, and previous studies estimated that up to 80% of the mussel species in the Yangtze River are Threatened or Near Threatened with extinction. However, a comprehensive and systematic evaluation of the conservation status of this fauna has yet to be completed.
This study evaluated the conservation status of the 69 recognized freshwater mussel species in the middle and lower reaches of the Yangtze River, using the criteria published by the International Union for Conservation of Nature (IUCN). A new method for prioritizing species for conservation was then developed and applied termed Quantitative Assessment of Species for Conservation Prioritization (QASCP), which prioritizes species according to quantifiable data on their distribution and population status, life history, and recovery importance and potential.
IUCN assessments showed that 35 (51%) species in the study region are Threatened or Near Threatened (11 Endangered, 20 Vulnerable, 4 Near Threatened). In addition, 16 species (23%) could not be assessed owing to data deficiency. Key threats to the freshwater mussel biodiversity of the Yangtze River include pollution, habitat loss and fragmentation, loss of access to host fish, and overharvesting of mussels and their host fish. The genera Aculamprotula, Gibbosula, Lamprotula, Pseudodon, Ptychorhynchus, and Solenaia were identified as particularly threatened.
Data availability allowed QASCP assessment of 44 species. Only Solenaia carinata, regionally Endangered under IUCN criteria, achieved the highest QASCP rank, i.e. First Priority. The five species assessed as Second Priority were considered either regionally Endangered (one), Vulnerable (three), or Data Deficient (one) under IUCN criteria. The 23 Third Priority species were assessed as regionally Endangered (two), Vulnerable (15), Near Threatened (two), or Least Concern (four).
Disaster privacy/privacy disaster
Authors: Sanfilippo Madelyn R. , Shvartzshnaider Yan , Reyes Irwin , Nissenbaum Helen , Egelman Serge 
Published: March 2020

AbstractPrivacy expectations during disasters differ significantly from nonemergency situations. This paper explores the actual privacy practices of popular disaster apps, highlighting location information flows. Our empirical study compares content analysis of privacy policies and government agency policies, structured by the contextual integrity framework, with static and dynamic app analysis documenting the personal data sent by 15 apps. We identify substantive gaps between regulation and guidance, privacy policies, and information flows, resulting from ambiguities and exploitation of exemptions. Results also indicate gaps between governance and practice, including the following: (a) Many apps ignore self‐defined policies; (b) while some policies state they “might” access location data under certain conditions, those conditions are not met as 12 apps included in our study capture location immediately upon initial launch under default settings; and (c) not all third‐party data recipients are identified in policy, including instances that violate expectations of trusted third parties.
A Cost‐effective Nafion Composite Membrane as an Effective Vanadium‐Ion Barrier for Vanadium Redox Flow Batteries
Authors: Lou Xuechun , Yuan Du , Yu Yuesheng , Lei Yanqiang , Ding Mei , Sun Qijun , Jia Chuankun 
Published: March 2020

AbstractIon exchange membranes play a key role in all vanadium redox flow batteries (VRFBs). The mostly available commercial membrane for VRFBs is Nafion. However, its disadvantages, such as high cost and severe vanadium‐ion permeation, become obstacles for large‐scale energy storage. It is thus crucial to develop an efficient membrane with low permeability of vanadium ions and low cost to promote commercial applications of VRFBs. In this study, graphene oxide (GO) has been employed as an additive to the Nafion 212 matrix and a composite membrane named rN212/GO obtained. The thickness of rN212/GO has been reduced to only 41 μm (compared with 50 μm Nafion 212), which indicates directly lower cost. Meanwhile, rN212/GO shows lower permeability of vanadium ions and area‐specific resistance compared to the Nafion 212 membrane due to the abundant oxygen‐containing functional groups of GO additives. The VRFB cells with the rN212/GO membrane show higher Coulombic efficiencies and lower capacity decay than those of VRFB cells with the Nafion 212 membrane. Therefore, the cost‐effective rN212/GO composite membrane is a promising alternative to suppress migration of vanadium ions across the membrane to set up VRFB cells with better performances.
Opioid prescription patterns among radiation oncologists in the United States
Authors: Huang Tina Q. , Chang Eric M. , Grogan Tristan R. , Martin Emily J. , Raldow Ann C. 
Published: March 2020

AbstractBackgroundRadiation oncologists (ROs) play an important role in managing cancer pain; however, their opioid prescribing patterns remain poorly described.MethodsThe 2016 Medicare Physician Compare National Downloadable and the 2016 Medicare Part D Prescriber Data files were cross‐linked to identify RO‐written opioid prescriptions.ResultsOf 4,627 identified ROs, 1,360 (29.3%) wrote >10 opioid prescriptions. The average number of opioid prescriptions written was significantly (P ≤ .05) associated with the following RO characteristics: sex [13.1 ± 36.5 male vs 7.5 ± 16.9 female]; years since medical school graduation [4.5 ± 11.5 1‐10 years vs 12.6 ± 26.0 11‐24 years vs 13.3 ± 40.9 ≥25 years]; practice size [15.5 ± 44.6 size ≤10 vs 13.3 ± 25.9 size 11‐49 vs 8.5 ± 12.7 size 50‐99 vs 8.8 ± 26.9 size ≥100]; Medicare Physician Quality Reporting System (PQRS) participation [12.6 ± 31.8 yes vs 7.0 ± 35.4 no]; and practice location [17.4 ± 47.0 South vs 10.6 ± 29.4 Midwest vs 8.1 ± 13.9 West vs 6.9 ± 15.2 Northeast]. On multivariable regression modeling, male sex (RR 1.29, 95% CI 1.22‐1.35, P < .001), ≥25 years since graduation (RR 0.78, 95% CI 0.64‐0.70, 1‐10 years vs ≥25 years; RR 1.00, 95% CI 0.96 ‐ 1.04, 11‐24 years vs ≥25 years; P < .001), practice size <10 members (RR 1.51, CI 1.44‐1.59, ≤10 vs ≥100 members, RR 1.27, CI 1.20‐1.34, 10‐49 vs ≥100 members, RR 0.86, CI 0.80‐0.92, 50‐99 vs ≥100 members, P < .001), PQRS participation (RR 1.12, CI 1.04‐1.19, P < .002), and Southern location (RR 0.67, CI 0.64‐0.70, Midwest vs South; RR 0.39, CI 0.37‐0.41, Northeast vs South; RR 0.43, CI 0.41‐0.46, West vs South; P < .001) were predictive of higher opioid prescription rates.ConclusionsFactors associated with increased number of RO‐written opioid prescriptions were male sex, ≥25 years since graduation, group practice <10, PQRS participation, and Southern location. Additional research is required to establish optimal opioid prescribing practices for ROs.
A double‐blind, randomized, multicenter phase 3 study of palonosetron vs granisetron combined with dexamethasone and fosaprepitant to prevent chemotherapy‐induced nausea and vomiting in patients with breast cancer receiving anthracycline and cyclophosphamide
Authors: Matsumoto Koji , Takahashi Masato , Sato Kazuhiko , Osaki Akihiko , Takano Toshimi , Naito Yoichi , Matsuura Kazuo , Aogi Kenjiro , Fujiwara Kimiko , Tamura Kenji , Baba Motoi , Tokunaga Shinya , Hirano Gen , Imoto Shigeru , Miyazaki Chieko , Yanagihara Kazuhiro , Imamura Chiyo K. , Chiba Yasutaka , Saeki Toshiaki 
Published: March 2020

AbstractPurposeTo investigate whether palonosetron is better than granisetron in preventing chemotherapy‐induced nausea and vomiting (CINV) in a three‐drug combination with dexamethasone and fosaprepitant (Fos) in patients with breast cancer who are placed on anthracycline and cyclophosphamide (AC‐based regimen).Patients and MethodsChemo‐naive women with primary breast cancer were randomly administered either palonosetron 0.75 mg (day 1) or granisetron 1 mg (day 1) combined with dexamethasone (12 mg at day 1, 8 mg at day 2 and day 3) and Fos 150 mg (day 1) before receiving AC‐based regimen in a double‐blind study. The primary endpoint was the complete response (CR) rate of emesis in cycle 1 in the delayed phase. This was defined as neither vomiting nor rescue drug usage for emesis at >24‐120 hours after chemotherapy. Secondary endpoints were the CR in the acute/overall phase (0‐24/0‐120 hours, respectively, after chemotherapy), no nausea and vomiting, Patient‐Reported Outcomes version of the Common Terminology Criteria for Adverse Events (PRO‐CTCAE), and safety.ResultsFrom December 2012 to October 2014, 326 patients were treated and evaluated (164/162 evaluable patients in granisetron/palonosetron arm, respectively). The CR during the delayed phase was 60.4% in the granisetron regimen and 62.3% in the palonosetron regimen. The CR during acute phase (73.2% vs 75.9%, respectively) and the CR during overall phase (54.9% in both regimens) were very identical. A significantly higher number of patients in the palonosetron arm were free from nausea during the delayed phase (28% vs 40.1%; P = .029). Adverse events were also identical, although infusion site reactions (ISR) were higher (20.3%‐23.3%) than preceding studies in both regimens.ConclusionIn combination with dexamethasone and Fos, this study suggests that palonosetron is not better than granisetron in chemo‐naive patients with primary breast cancer receiving AC‐based regimen. Administration of Fos in peripheral veins after AC‐based regimen increased ISR.
Double‐Solvent Induced Ultrafine Ruthenium Nanoparticles on Porous Carbon for Highly Efficient Hydrogen Evolution Reaction
Authors: Zhang Zitao , Gao Song , Liang Zibin , Zhang Kexin , Guo Huichuan , Tang Yanqun , Qiu Tianjie , Tabassum Hassina , Shi Jinming , Meng Wei , Zou Ruqiang 
Published: March 2020

AbstractFor hydrogen evolution reaction (HER) in alkaline solution, the state‐of‐the‐art platinum(Pt)‐based electrocatalysts showed a bunch of drawbacks including high cost, poor durability and scarcity, making it essential to develop Pt‐free electrocatalysts. In this work, we employed a double‐solvent approach to prepare a ruthenium(Ru)‐dispersed metal‐organic framework composite, which was further pyrolyzed to obtain a novel Ru/C electrocatalyst with a Ru loading of 2.7 wt %. The target electrocatalyst showed ultrahigh activity for HER in 1 M KOH that outperformed commercial Pt/C catalyst (20 wt %) with an overpotential of 27 mV @ 25 mA cm−2 and 86 mV @ 100 mA cm−2. This work not only provides a promising electrocatalyst for highly efficient HER in alkaline solution, but also offers a double‐solvent strategy for the fabrication of various metal/carbon composites with uniform distribution of ultrafine metal nanoparticles.
Shell‐by‐Shell Functionalization of Inorganic Nanoparticles
Authors: Stiegler Lisa M. S. , Luchs Tobias , Hirsch Andreas 
Published: March 2020

AbstractThe current state of the hierarchical chemical functionalization of inorganic nanoparticles (NPs) by shell‐by‐shell (SbS)‐assembly of organic layers around the NP cores is summarized. This supramolecular functionalization concept is based on two steps: 1) the covalent grafting of a first ligand–shell consisting of, for example, long chain phosphonic acids and 2) the noncovalent interdigitation of amphiphiles forming the second ligand shell. The latter process is guaranteed predominantly by solvophobic interactions. These highly order organic–inorganic hybrid architectures are currently an emerging field at the interface of synthetic chemistry, nanotechnology, and materials science. The doubly functionalized NPs display tunable materials properties, such a controlled dispersibility and stability in various solvents, highly efficient trapping of guest molecules in between the ligand shells (water cleaning) as well as compartmentalization and modification of electronic interactions between photoactive components integrated in such complex nano‐architectures. Such SbS‐functionalized NPs have a high potential as water‐cleaning materials and also some first prototype applications as biomedicinal therapeutics have been presented.
A Synthetic Chlorophyll Dimer Appending Fullerene: Effect of Chlorophyll Pairing on (Photo)redox Properties
Authors: Shinozaki Yoshinao , Uragami Chiasa , Hashimoto Hideki , Tamiaki Hitoshi 
Published: March 2020

AbstractAccurately mimicking structure and function of natural chlorophyll (Chl) assemblies is very challenging. Herein, we report the synthesis of a fullerene‐appended Chl dimer being capable of intramolecular photoinduced charge separation (CS) with a unique structure reminiscent of reaction centers (RCs) in phototrophs. Structural analyses revealed that the Chl dimer adopts a bird‐like structure in which two Chl components overlapped partially with one of the four pyrrole rings in a Chl ring similar to in a Chl pair in the natural RC complexes. A comparative study including voltammetry and spectrometric analyses using the Chl dimer and its corresponding monomer with and without a fullerene moiety was performed to gain insight into the effect of Chl pairing on (photo)redox properties. Our results suggest that the present dimer motif that closely resemble the Chl pair in natural RCs lead to more facile oxidation and lower energy of the CS state of the Chl dimer than those of the Chl monomer, resulting in its photoredox behavior different from that of the monomer Chl.
Differential Effects of Nitrogen Substitution in 5‐ and 6‐Membered Aromatic Motifs
Authors: Levandowski Brian J. , Abularrage Nile S. , Raines Ronald T. 
Published: March 2020

AbstractThe replacement of carbon with nitrogen can affect the aromaticity of organic rings. Nucleus‐independent chemical shift (NICS) calculations at the center of the aromatic π‐systems reveal that incorporating nitrogen into 5‐membered heteroaromatic dienes has only a small influence on aromaticity. In contrast, each nitrogen incorporated into benzene results in a sequential and substantial loss of aromaticity. The contrasting effects of nitrogen substitution in 5‐membered dienes and benzene are reflected in their Diels–Alder reactivities as dienes. 1,2‐Diazine experiences a 1011‐fold increase in reactivity upon nitrogen substitution at the 4‐ and 5‐positions, whereas a 5‐membered heteroaromatic diene, furan, experiences a comparatively incidental 102‐fold increase in reactivity upon nitrogen substitution at the 3‐ and 4‐positions.
Structurally Interesting Diarymethane Derivatives from Securidaca inappendiculata
Authors: Zhou Bin , Wu Yan , Gan Lishe , Dalal Seema , Cassera Maria B. , Yue Jianmin 
Published: March 2020

Summary of main observation and conclusionSecurines A—E, three dimeric diarymethane derivatives (1—3) and two enantiomeric diarymethane derivative monomers (4 and 5), were isolated and characterized from the medicinal plant Securidaca inappendiculata. Compounds 1 and 2 are a pair of enantiomeric diarymethane derivative dimers, and compound 3 is a mesomeric diarymethane derivative dimer. Their structures were determined by a combination of spectroscopic data, X‐ray crystallography, electronic circular dichroism (ECD) analysis, and computational ECD calculations. Dimeric compounds 1—3 showed moderate antiplasmodial activities with IC50 values of 0.9, 1.4, and 1.5 μM, respectively.
Development and Structural Evaluation of N‐Alkylated trans‐2‐Phenylcyclopropylamine‐Based LSD1 Inhibitors
Authors: Niwa Hideaki , Sato Shin , Handa Noriko , Sengoku Toru , Umehara Takashi , Yokoyama Shigeyuki 
Published: March 2020

AbstractLysine‐specific demethylase 1 (LSD1) is a flavin adenine dinucleotide (FAD)‐dependent enzyme that catalyzes the demethylation of histone H3 and regulates gene expression. Because it is implicated in the regulation of diseases such as acute myeloid leukemia, potent LSD1‐specific inhibitors have been pursued. Trans‐2‐phenylcyclopropylamine (2‐PCPA)‐based inhibitors featuring substitutions on the amino group have emerged, with sub‐micromolar affinities toward LSD1 and high selectivities over monoamine oxidases (MAOs). We synthesized two N‐alkylated 2‐PCPA‐based LSD1 inhibitors, S2116 and S2157, based on the previously developed S2101. S2116 and S2157 exhibited enhanced potency for LSD1 by 2.0‐ to 2.6‐fold, as compared with S2101. In addition, they exhibited improved selectivity over MAOs. Structural analyses of LSD1 co‐crystallized with S2101, S2116, S2157, or another N‐alkylated inhibitor (FCPA‐MPE) confirmed that the N‐substituents enhance the potency of a 2‐PCPA‐based inhibitor of LSD1, without constituting the adduct formed with FAD.