bluuebunny/crossref_metadata_2025 huggingface dataset:
Trisulfide‐Bond Acenes for Organic Batteries
Authors: Hu Peng , He Xuexia , Ng Man‐Fai , Ye Jun , Zhao Chenyang , Wang Shancheng , Tan Kejie , Chaturvedi Apoorva , Jiang Hui , Kloc Christian , Hu Wenping , Long Yi
Published: July 2019

The molecular design of organic battery electrodes is a big challenge. Here, we synthesize two metal‐free organosulfur acenes and shed insight into battery properties using first‐principles calculations. A new zone‐melting chemical‐vapor‐transport (ZM‐CVT) apparatus was fabricated to provide a simple, solvent‐free, and continuous synthetic protocol, and produce single crystals of tetrathiotetracene (TTT) and hexathiapentacene (HTP) at a large scale. Single crystals of HTP showed better Li‐ion battery performance and higher cycling stability than those of TTT. A two‐step, three‐electron lithiation mechanism instead of the commonly depicted two‐electron mechanism is proposed for the HTP Li‐ion battery. The superior performance of HTP is linked to unique trisulfide bonding scenarios, which are also responsible for the formation of empty channels along the stacking direction. In‐depth theoretical analysis suggests that organosulfur acenes are potential prototypes for organic battery materials with tunable properties, and that the tuning of sulfur bonds is critical in designing these new materials.
Continuously Tunable Ion Rectification and Conductance in Submicrochannels Stemming from Thermoresponsive Polymer Self‐Assembly
Authors: Wu Yafeng , Yang Guang , Lin Mingchang , Kong Xiangyu , Mi Li , Liu Songqin , Chen Guosong , Tian Ye , Jiang Lei
Published: July 2019

A biomimetic conical submicrochannel (tip side ca. 400 nm) with functions of continuously tunable ion rectification and conductance based on thermoresponsive polymer layer‐by‐layer (LbL) self‐assembly is presented. These self‐assembled polymers with different layers exhibited a capability to regulate the effective channel diameter, and different ion rectifications/conductance were achieved. By controlling temperature, the conformation and wettability of the assembled polymers were reversibly transformed, thus the ion rectification/conductance could be further adjusted subtly. Owing to the synergistic effect, the ion conductance could be tuned over a wide range spanning three orders of magnitude. Moreover, the proposed system can be applied for on‐demand on‐off molecule delivery, which was important for disease therapy. This study opens a new door for regulating channel size according to actual demand and sensing big targets with different size with one channel.
Linkage Effect in the Heterogenization of Cobalt Complexes by Doped Graphene for Electrocatalytic CO2 Reduction
Authors: Wang Jiong , Huang Xiang , Xi Shibo , Lee Jong‐Min , Wang Cheng , Du Yonghua , Wang Xin
Published: July 2019

Immobilization of planar CoII‐2,3‐naphthalocyanine (NapCo) complexes onto doped graphene resulted in a heterogeneous molecular Co electrocatalyst that was active and selective to reduce CO2 into CO in aqueous solution. A systematic study revealed that graphitic sulfoxide and carboxyl dopants of graphene were the efficient binding sites for the immobilization of NapCo through axial coordination and resulted in active Co sites for CO2 reduction. Compared to carboxyl dopants, the sulfoxide dopants further improved the electron communication between NapCo and graphene, which led to the increase of turnover frequency of the Co sites by about 3 times for CO production with a Faradic efficiency up to 97 %. Pristine NapCo in the absence of a graphene support did not display efficient electron communication with the electrode and thus failed to serve as the electrochemical active site for CO2 reduction under the identical conditions.
Enhanced energy storage properties of polypropylene/maleic anhydride‐grafted polypropylene/nano‐ZrO2 ternary system
Authors: Cheng Lu , Liu Wenfeng , Liu Chengming , Liu Xiaowei , Li Shengtao
Published: July 2019

Extensive research studies have been carried out to enhance the energy storage density of polypropylene (PP) films for power capacitor application to cater to the development of power system. However, most of the research studies failed to balance the energy storage density and dielectric loss which generates heat and threatens the operation of power capacitor. In the present study, we proposed a ternary system composited of PP, maleic anhydride‐grafted PP (PP‐g‐MAH), and nano‐ZrO2 with totally 25 compositions in an orthogonal ingredient system. Direct current (dc) breakdown test and dielectric spectra were measured and showed that the largest enhancement of 30.2% of energy storage density was achieved with both increased dielectric constant and dc breakdown strength (BDS), while the dielectric loss kept the same level of neat PP. This on the one hand was attributed to the orientation polarization, ionic polarization, and deep traps introduced by PP‐g‐MAH and nano‐ZrO2, evidenced by the thermal stimulated depolarization current test results. On the other hand, the results of dynamic mechanical analysis indicated that the compatibility of each phases was largely improved in the ternary system so that a high dc BDS was obtained due to the restricted segmental molecular motion. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 48211.
Preparation of high hydroxyl self‐emulsifying polyester and compounding with acrylate
Authors: Li Rui‐Qi , Huang Tao , Gong Shu‐Ling
Published: July 2019

Waterborne saturated polyester (WSP) with high hydroxyl content was prepared through solution polymerization by using stepwise feeding and stage heating methods. The stability of polyester dispersion was enhanced in terms of molecular structure and polymerization process. The conditions of polymerization process, monomer types, and catalyst type were determined. The effects of the ratio of alcohol‐to‐acid, trimethylolpropane (TMP) content and the feeding method, the content of terminal monomer and branched monomer on the dispersion were investigated. The stability of the self‐emulsifying polyester and the water resistance of the film were proved to be excellent. Through transesterification, waterborne unsaturated polyester (WUP) was synthesized by WSP. Polyester‐acrylate composite emulsion can be obtained by physical blending or chemical copolymerization of synthetic waterborne polyester. The viscosity of the composite emulsion was improved, and the hardness and water resistance were improved. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2020,137, 48278.
Estuary habitat associations for juvenile Pacific salmon and pelagic fish: Implications for coastal planning processes
Authors: Sharpe Ciara , Carr‐Harris Charmaine , Arbeider Michael , Wilson Samantha M. , Moore Jonathan W.
Published: July 2019

Assessment of risk from industrial developments often relies on simple habitat descriptions for focal species. However, simple habitat metrics may not be accurate predictors of locations that species actually use. Understanding the nature of habitat is particularly pressing for estuaries, as they are among the most degraded ecosystems globally but provide critical rearing habitat for many species, including Pacific salmon.

Canadian environmental impact assessment approaches use simple habitat‐type models to assess risk from developments and assume that different species of salmon rely on the same habitat. This study asked what combination of habitat type and biophysical covariates best predicted use of estuary habitat by juvenile salmon and two dominant small pelagic fish.

Fish were sampled via purse seine throughout the Skeena River estuary (British Columbia, Canada) for 2 years across different habitat types (eelgrass, open water, sandy banks, and rocky shores). Simple habitat‐type models were compared with models with more complex biophysical variables to predict the variability in relative abundance of juvenile Chinook (Oncorhynchus tshawytscha), coho (Oncorhynchus kisutch), and sockeye (Oncorhynchus nerka) salmon, along with pelagic fish species Pacific herring (Clupea pallasii) and surf smelt (Hypomesus pretiosus).

The combination of variables that best predicted abundance differed across fish species. Pelagic fish were associated with near‐shore sites, increased temperature (herring), and increased salinity (smelt). Juvenile coho and sockeye salmon (but not Chinook), were more abundant in higher turbid waters. Chinook and sockeye salmon used eelgrass habitat more frequently than other habitat types, whereas coho salmon were more abundant in areas with high macroalgae cover. Models with these variables had greater predictive power than those using habitat type alone for juvenile salmon.

Simple classifications of estuary habitat currently used in environmental risk assessment may not reflect the complex nature of fish–habitat associations. Understanding biophysical factors associated with estuary fish abundance can inform management of estuary habitat to support their nursery function for important fish.
Enabling PAT in insect cell bioprocesses: In situ monitoring of recombinant adeno‐associated virus production by fluorescence spectroscopy
Authors: Pais Daniel A. M. , Portela Rui M. C. , Carrondo Manuel J. T. , Isidro Inês A. , Alves Paula M.
Published: July 2019

The process analytical technology (PAT) initiative shifted the bioprocess development mindset towards real‐time monitoring and control tools to measure relevant process variables online, and acting accordingly when undesirable deviations occur. Online monitoring is especially important in lytic production systems in which released proteases and changes in cell physiology are likely to affect product quality attributes, as is the case of the insect cell‐baculovirus expression vector system (IC‐BEVS), a well‐established system for production of viral vectors and vaccines.

Here, we applied fluorescence spectroscopy as a real‐time monitoring tool for recombinant adeno‐associated virus (rAAV) production in the IC‐BEVS. Fluorescence spectroscopy is simple, yet sensitive and informative. To overcome the strong fluorescence background of the culture medium and improve predictive ability, we combined artificial neural network models with a genetic algorithm‐based approach to optimize spectra preprocessing.

We obtained predictive models for rAAV titer, cell viability and cell concentration with normalized root mean squared errors of 7%, 4%, and 7%, respectively, for leave‐one‐batch‐out cross‐validation.

Our approach shows fluorescence spectroscopy allows real‐time determination of the best time of harvest to maintain rAAV infectivity, an important quality attribute, and detection of deviations from the golden batch profile. This methodology can be applied to other biopharmaceuticals produced in the IC‐BEVS, supporting the use of fluorescence spectroscopy as a versatile PAT tool.
Expanding targeting scope, editing window, and base transition capability of base editing in Corynebacterium glutamicum
Authors: Wang Yu , Liu Ye , Li Junwei , Yang Yi , Ni Xiaomeng , Cheng Haijiao , Huang Teng , Guo Yanmei , Ma Hongwu , Zheng Ping , Wang Meng , Sun Jibin , Ma Yanhe
Published: July 2019

CRISPR/Cas9‐guided cytidine deaminase enables C:G to T:A base editing in bacterial genome without introduction of lethal double‐stranded DNA break, supplement of foreign DNA template, or dependence on inefficient homologous recombination. However, limited by genome‐targeting scope, editing window, and base transition capability, the application of base editing in metabolic engineering has not been explored. Herein, four Cas9 variants accepting different protospacer adjacent motif (PAM) sequences were used to increase the genome‐targeting scope of bacterial base editing. After a comprehensive evaluation, we demonstrated that PAM requirement of bacterial base editing can be relaxed from NGG to NG using the Cas9 variants, providing 3.9‐fold more target loci for gene inactivation in Corynebacterium glutamicum. Truncated or extended guide RNAs were employed to expand the canonical 5‐bp editing window to 7‐bp. Bacterial adenine base editing was also achieved with Cas9 fused to adenosine deaminase. With these updates, base editing can serve as an enabling tool for fast metabolic engineering. To demonstrate its potential, base editing was used to deregulate feedback inhibition of aspartokinase via amino acid substitution for lysine overproduction. Finally, a user‐friendly online tool named gBIG was provided for designing guide RNAs for base editing‐mediated inactivation of given genes in any given sequenced genome (www.ibiodesign.net/gBIG).
Characterization of Activated Carbon Adsorbents – State of the Art and Novel Approaches
Authors: Bläker Christian , Muthmann Johanna , Pasel Christoph , Bathen Dieter
Published: July 2019

Activated carbons are widely used as commercial adsorbents. Thermal or chemical activation creates a pore system and functional groups on the inner surface which may significantly change adsorption properties. Therefore, in addition to knowledge of the structural properties, a sound understanding of surface chemistry is indispensable. This paper summarizes the state of art as well as new developments in both fields. Standardized methods for characterizing structural properties are volumetric measurements and mercury porosimetry. To get a more detailed insight into the region of micropores, a probe molecule method was developed. For characterization of surface chemistry, methods such as IR spectroscopy, temperature‐programmed desorption, and Boehm titration are subject of research. Novel methods were developed such as measuring of excess isotherms and calorimetric measurement of heat of adsorption, which are presented and discussed in greater detail in this paper. As each single method can only provide limited information, a better description of surface chemistry requires combination and careful interpretation of complementary information from different methods.
Pseudoaneurysm of the non‐coronary sinus of Valsalva: A rare complication of percutaneous coronary intervention
Authors: Li Yuman , Tian Fangyan , Wang Jing , Xie Mingxing
Published: July 2019

Pseudoaneurysm of the non‐coronary sinus of Valsalva is an exceptionally rare but potentially fatal complication of percutaneous coronary interventions (PCI). Here, we report a case of a 53‐year‐old man with pseudoaneurysm of the non‐coronary sinus of Valsalva following PCI who presented with recurrent chest pain and was treated successfully by closure of the orifice of the pseudoaneurysm and coronary artery bypass grafting.
Ligand Effect in Alkali‐Metal‐Catalyzed Transfer Hydrogenation of Ketones
Authors: Alshakova Iryna D. , Foy Hayden C. , Dudding Travis , Nikonov Georgii I.
Published: July 2019

This work unveils the reactivity patterns, as well as ligand and additive effect on alkali‐metal‐base‐catalyzed transfer hydrogenation of ketones. Crucially to this reactivity is the presence of a Lewis acid (alkali cation), as opposed to a simple base effect. With aryl ketones, the observed reactivity order is Na+>Li+>K+, whereas for aliphatic substrates it follows the expected Lewis acidity, Li+>Na+>K+. Importantly, the reactivity pattern can be drastically changed by adding ligands and additives. Kinetic, labelling, and competition experiments as well as DFT calculations suggested that the reaction proceeds through a concerted direct hydride‐transfer mechanism, originally suggested by Woodward. The lithium cation was found to be intrinsically more active than heavier congeners, but in the case of aryl ketones a decrease in reaction rate was observed at ≈40 % conversion with lithium cations. Noncovalent‐interaction analysis revealed that this deceleration effect originated from specific noncovalent interactions between the aryl moiety of 1‐phenylethanol and the carbonyl group of acetophenone, which stabilize the product in the coordination sphere of lithium and thus poison the catalyst. The ligand/additive effect is a complicated phenomenon that includes a combination of several factors, such as the decrease of activation energy by ligation (confirmed by distortion/interaction calculations of N,N,N’,N’‐tetramethylethylenediamine, TMEDA) and the change in relative stabilization of reagents and substrates in the solution and the coordination sphere of the metal. Finally, we observed that lithium‐base‐catalyzed transfer hydrogenation can be further facilitated by the addition of an inexpensive and benign reagent, LiCl, which likely operates by re‐initiating the reaction on a new lithium center.
Preparation and chromatographic performance of a multifunctional immobilized chiral stationary phase based on dialdehyde microcrystalline cellulose derivatives
Authors: Gao Jie , Chen Lixiao , Wu Qi , Li Hui , Dong Shuqing , Qin Peng , Yang Fang , Zhao Liang
Published: July 2019

A novel high‐performance liquid chromatography (HPLC) multifunctional immobilized chiral stationary phase was prepared by bonding dialdehyde microcrystalline cellulose to aminosilica via Schiff base reaction and then derivatized with 3,5‐dimethylphenyl isocyanate. The HPLC multifunctional immobilized chiral stationary phase could not only achieve chiral separation but also achieve achiral separation. Chiral separation evaluation showed that 1‐(1‐naphthyl)ethanol and mandelonitrile got separation in normal phase (NP) mode. Ranolazine, benzoin ethyl ether, metalaxyl, and diclofop were successfully separated in reversed phase (RP) mode. Aromatic compounds such as polycyclic aromatic hydrocarbons (PAHs), anilines, and aromatic acids were selected as analytes to investigate the achiral separation performance of the multifunctional immobilized chiral stationary phase in NP and RP modes. The achiral separation evaluation showed that six PAHs could get good separation within 10 minutes in NP mode. Four aromatic acids were well separated in RP mode. The retention mechanism of aromatic compounds on the stationary phase was discussed, founding that π‐π interaction, π‐π electron‐donor‐acceptor (EDA) interaction, and hydrogen bonding interaction played important roles during the achiral separation process. This multifunctional immobilized chiral stationary phase had the advantages of simple bonding steps, short reaction time, and no need for space arm.
Assessment of Khibiny Alkaline Massif groundwater quality using statistical methods and water quality index
Authors: Popugaeva Daria , Kreyman Konstantin , Ray Ajay K.
Published: July 2019

Groundwater is a major source for the water supply of households in the mining‐intensive area of Khibiny Alkaline Massif, Kola Peninsula, in the Arctic. There are an increasing number of signs of groundwater quality deterioration in the area caused by the presence of elevated aluminum concentrations. Groundwater quality studies using univariate and multivariate statistical methods and the Water Quality Index were conducted to analyze a field dataset including 12 groundwater quality parameters monitored between 1999 and 2012. Descriptive statistics showed that the monitored water did not meet the established drinking water standards for aluminum concentration and pH level. The calculated Spearman correlation coefficient matrix revealed statistically significant associations (α‐level = .05) between Al concentrations and pH values, concentrations of SO42−, NO3−, Cl−, and TDS. Factor analysis using the principal component analysis extraction method (FA/PCA) identified four major influencing factors. Altogether the factors captured 67.53% of the dataset total variance. The outcomes of the hierarchical cluster analysis (HCA) revealed that the 12 monitored groundwater quality parameters can be grouped into three clusters where the concentration of Al and pH level formed a separate cluster. The calculated score values of the Canadian Council of Ministers of the Environment Water Quality Index indicated a deterioration of groundwater quality over the monitoring period.
Initial rivaroxaban dosing in patients with atrial fibrillation
Authors: Ablefoni Kaja , Buchholz Alexander , Ueberham Laura , Hilbert Sebastian , Dagres Nikolaos , Husser Daniela , Hindricks Gerhard , Bollmann Andreas
Published: July 2019

Background

Rivaroxaban is a non‐vitamin K oral anticoagulant and has been approved for prevention of stroke and systemic embolism in patients with non‐valvular atrial fibrillation (AF). Current labeling recommends 20 mg once a day (q.d.) as a standard dose and a reduced dose of 15 mg q.d. in patients with renal impairment.

Hypothesis

The aim of this study was to analyze the adherence to current labeling concerning initial rivaroxaban dosing and to determine whether potential lack of such adherence is medically justified.

Methods

Patients with AF initiated on rivaroxaban between January 1, 2016 and January 31, 2017, were identified in the Heart Center Leipzig database. Health records were screened to identify prescribed rivaroxaban dose, presence or absence of renal impairment, patient characteristics, further dosing‐relevant diagnoses and co‐medication with antiplatelet drugs and non‐vitamin K oral anticoagulants (NOACs).

Results

We identified a total of 378 consecutive patients. In 282 cases (74.6%), rivaroxaban was prescribed in a standard dose and in 96 (25.4%) in a reduced dose. Out of 96 patients receiving a reduced dose, 50 (52.1%) did not meet labeling criteria for dose reduction. In uni‐ and multivariate regression analysis, estimated glomerular filtration rate (eGFR) (odds ratio [OR] 0.34, 95% confidence interval [CI] 0.12‐0.95, P = .04) was the only independent predictor of rivaroxaban underdosage.

Conclusions

In clinical practice, rivaroxaban dosing is frequently incoherent with labeling. In this study, rivaroxaban was often administered underdosed. Potentially inappropriate dose reduction was significantly associated with eGFR, the same factor that is used as criterion for dose adjustment.
Trastuzumab emtansine with or without pertuzumab versus trastuzumab with taxane for human epidermal growth factor receptor 2–positive advanced breast cancer: Final results from MARIANNE
Authors: Perez Edith A. , Barrios Carlos , Eiermann Wolfgang , Toi Masakazu , Im Young‐Hyuck , Conte Pierfranco , Martin Miguel , Pienkowski Tadeusz , Pivot Xavier B. , Burris Howard A. , Petersen Jennifer A. , De Haas Sanne , Hoersch Silke , Patre Monika , Ellis Paul Anthony
Published: July 2019

Background

In the phase 3 MARIANNE trial, trastuzumab emtansine (T‐DM1) with or without pertuzumab showed noninferior progression‐free survival and better tolerability than trastuzumab plus a taxane (HT) for the first‐line treatment of human epidermal growth factor receptor 2 (HER2)–positive advanced breast cancer. This article reports the final descriptive overall survival (OS) analysis, updated safety data, and additional patient‐reported outcomes and biomarker analyses.

Methods

OS was assessed in 1095 patients with HER2‐positive breast cancer and no prior therapy for advanced disease who had been randomized to HT, T‐DM1 plus a placebo (hereafter T‐DM1), or T‐DM1 plus pertuzumab (T‐DM1+pertuzumab). A post hoc exploratory landmark analysis of OS, baseline patient and disease characteristics, and tumor biomarkers in patients with and without an objective tumor response (OR) according to the Response Evaluation Criteria in Solid Tumors within 6.5 months of randomization was conducted.

Results

The median OS was similar across groups (50.9, 53.7, and 51.8 months for the HT, T‐DM1, and T‐DM1+pertuzumab groups, respectively). Among patients with an OR, the median OS was longer with T‐DM1 (64.4 months) and T‐DM1+pertuzumab (not reached) versus HT (56.3 months). No baseline characteristics or biomarkers were strongly associated with OR. The incidence of grade 3 or higher adverse events was greater with HT (55.8%) than T‐DM1 (47.1%) or T‐DM1+pertuzumab (48.6%). The median time to clinically meaningful deterioration (a 3‐point or greater change) in neurotoxicity symptoms was shorter with HT (2.1 months) and T‐DM1+pertuzumab (4.2 months) than T‐DM1 (6.2 months). Fewer patients reported alopecia and diarrhea and were bothered by treatment side effects in the T‐DM1 arm.

Conclusions

These results support T‐DM1 as a first‐line treatment for patients with HER2‐positive metastatic breast cancer who are deemed unsuitable for taxane‐based therapy.
Cytologic features of upper gynecologic tract adenocarcinomas exhibiting mesonephric‐like differentiation
Authors: Kezlarian Brie , Muller Stephanie , Werneck Krauss Silva Vitor , Gonzalez Carlene , Fix Daniel J. , Park Kay J. , Murali Rajmohan
Published: July 2019

Background

Mesonephric adenocarcinomas are rare neoplasms which most commonly arise in the lateral cervix and vagina. Tumors with similar morphologic, immunophenotypic, and molecular characteristics recently have been described in the uterine corpus and ovary. Herein, the authors sought to characterize the cytomorphologic features of adenocarcinomas exhibiting mesonephric‐like differentiation arising in the upper gynecologic tract.

Methods

Institutional databases were queried retrospectively for tumors of the upper gynecologic tract described as a “tumor of Wolffian origin” or “with mesonephric features” between 2007 and 2017. All available cytologic material was reviewed. Cytomorphologic characteristics were evaluated by 3 pathologists.

Results

The current study cohort consisted of 8 cases taken from 7 patients. Primary sites included the ovary (3 cases); endometrium (4 cases); and pelvis, not otherwise specified (1 case). All cases demonstrated tight 3‐dimensional clusters of overlapping cells. Additional architectural features included tubular (5 of 8 cases; 63%) and papillary (3 of 8 cases; 38%) formations. Cells were small with scant (7 of 8 cases; 88%) to moderate (1 of 8 cases; 12%) cytoplasm. Three of the 8 cases (38%) demonstrated extracellular hyaline globules. Nuclei were uniform in size (6 of 8 cases; 75%) or showed mild anisonucleosis (2 of 8 cases; 25%). Nuclear grooves and indentations were observed in all cases. Mitoses (5 of 8 cases; 63%) and apoptotic bodies (4 of 8 cases; 50%), when present, were rare. No necrosis was noted.

Conclusions

Adenocarcinomas exhibiting mesonephric‐like differentiation show a monotonous population of small cells with scant to moderate cytoplasm and abundant nuclear grooves arranged in tight, overlapping, 3‐dimensional clusters. Occasionally, papillary or tubular architecture, as well as extracellular hyaline globules, may be seen. These features should prompt further testing (eg, immunohistochemistry) to confirm the diagnosis and to exclude potential mimics.
High‐Pressure Band‐Gap Engineering and Metallization in the Perovskite Derivative Cs3Sb2I9
Authors: Wu Lianwei , Dong Zhiying , Zhang Long , Liu Cailong , Wang Kai , Zou Bo
Published: July 2019

Among photovoltaic materials, the antimony‐based, perovskite‐like structure Cs3Sb2I9 stands out owing to its low toxicity and air stability. Here, changes in the optoelectronic properties and crystal structure of the lead‐free perovskite derivative Cs3Sb2I9 are reported, caused by pressure‐induced lattice compression. At 20.0 GPa, Cs3Sb2I9 with a wide band gap (2.34 eV) successfully broke through the Shockley–Queisser limit (1.34 eV), accompanied by clear piezochromism from orange–yellow to opaque black. Additionally, Cs3Sb2I9 experienced completely reversible amorphization at 20.0 GPa. These optical changes could be attributed to atomic‐orbital overlap enhancement caused by contraction of the Sb−I bond length and diminution of the Sb−I bond angle. In addition, Cs3Sb2I9 underwent a transition from semiconductor to conductor upon compression and obtained metallic properties at 44.3 GPa, indicating new electronic properties. The obtained results may further broaden the research prospects of halide perovskite materials in the field of photovoltaics.
A Flexible Si@C Electrode with Excellent Stability Employing an MXene as a Multifunctional Binder for Lithium‐Ion Batteries
Authors: Zhang Peng , Zhu Qizhen , Guan Zhaoruxin , Zhao Qian , Sun Ning , Xu Bin
Published: July 2019

Silicon is a promising anode material with high capacity for lithium‐ion batteries (LIBs) but suffers from poor conductivity and large volume change during charge/discharge. Herein, by using two‐dimensional conductive MXene as a multifunctional binder instead of conventional insulating polymer binders such as poly(vinylidene fluoride) or carboxymethylcellulose sodium (PVDF and CMC, respectively), a free‐standing, flexible Si@C film was fabricated by simple vacuum filtration and directly used as anode for LIBs. In the MXene‐bonded Si@C film, MXene constructed a three‐dimensional conductive framework in which Si@C nanocomposites were embedded. Its loose and porous structure provided much space to buffer the large volume expansion of Si@C nanoparticles and thus led to significantly superior cycle stability compared with conventional CMC‐ and PVDF‐bonded Si@C electrodes. Moreover, the porous structure and the metallically conductive MXene offered fast ion transport and outstanding conductivity of the MXene‐bonded Si@C film, which were favorable for its rate performance. These results promise good potential of the MXene‐bonded Si@C film electrode for LIBs.
Reflect early on your retirement plans
Authors: Hodges Dawn Z.
Published: July 2019

It's been a year since I retired after a 40‐year career in higher education. Being the reflective person I am, I've spent some time pondering the year and what led to my eventual retirement.
Make commencement green and accessible with fewer programs, guidebook app
Authors: Sutton Halley
Published: July 2019

LOS ANGELES — Just because a commencement ceremony runs the way it always has doesn't mean there aren't opportunities for improvement. That was the thought that guided the University of Iowa toward making a more sustainable and accessible commencement ceremony, a process that Julie Fell, senior associate registrar; and Sara Sullivan, registrar services coordinator, outlined in a session at the annual conference for the American Association of Collegiate Registrars and Admissions Officers.
Misophonia: A connection between sounds and emotions?
Authors: Poore‐Pariseau Cindy
Published: July 2019

Misophonia, which literally means “hatred of sounds,” has been in existence for longer than anyone knows, but was first “officially” named by Dr. Pawel J. Jastreboff when he noticed a connection between certain “soft” noises (chewing, tapping, ticking, etc.) and a rise in stress levels and emotions that seemed over the top (anger, anxiety, panic). A question to be addressed is why are we now seeing a rise in accommodation requests for this disorder? One possibility is that, due to the nature of the disorder, individuals with this disorder are often isolated, seemingly angry and intolerant, and unaware that this condition is not just a “me quirk.”
Clinical and financial implications of hospital malnutrition in Spain
Authors: Yárnoz‐Esquíroz Patricia , Lacasa Carlos , Riestra María , Silva Camilo , Frühbeck Gema
Published: July 2019

Objective

The aim of this review is to analyse the studies about cost and clinical implications that malnutrition causes in the Spanish hospitals.

Material and methods

The review of the literature was carried out through a bibliographic search in Web of Science following the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses (PRISMA) criteria and analyse the cost of treatment of malnourished and anorexia nervosa (AN) patients

Results

Seventeen studies with economic data related to malnutrition were included. The employment of a nutritional screening is the first tool to determinate the prevalence. Malnutrition is related to an incremental cost due to a longer hospital stay, expensive treatment, and higher rate of readmissions. Malnourished patients present more clinical complications, more infections, and higher mortality. No studies were found with economic data of AN in Spain.

Conclusions

The prevalence of malnutrition is over 20%, with the elderly patients being the most affected. Nutritional screening is not implanted in all Spanish hospitals in spite of its proven cost‐effectiveness. The cost and the clinical implications of malnutrition make this disease a health national problem. The knowledge of the real cost of AN treatment would increase the interest of public institutions on the development of specific Nutritional Screening tools for an early detection of AN.
Inequalities in elevated depressive symptoms in middle‐aged and older adults by rural childhood residence: The important role of education
Authors: Murchland Audrey R. , Eng Chloe W. , Casey Joan A. , Torres Jacqueline M. , Mayeda Elizabeth Rose
Published: July 2019

Objectives

To quantify inequalities in the prevalence of elevated depressive symptoms by rural childhood residence and the extent to which childhood socioeconomic conditions and educational attainment contribute to this disparity.

Methods

We identified the prevalence of depressive symptoms among US‐born adults ages 50 years and older in the 1998 to 2014 waves of the Health and Retirement Study (n = 16 022). We compared prevalence of elevated depressive symptoms (>4/8 symptoms) by rural versus nonrural childhood residence (self‐report) and the extent to which own education mediated this disparity. We used generalized estimating equations and marginal standardization to calculate predicted probabilities of elevated depressive symptoms.

Results

In age, race/ethnicity, and sex‐adjusted models, rural childhood residence was associated with elevated depressive symptoms (OR = 1.20; 95% CI, 1.12‐1.29; marginal predicted probability 10.5% for rural and 8.9% for nonrural childhood residence). Adjusting for US Census birth region and parental education attenuated this association (OR = 1.07; 95% CI, 0.99‐1.15; marginal predicted probability 9.9% for rural and 9.3% for nonrural). After additional adjustment for own education, rural childhood residence was not associated with elevated depressive symptoms (OR = 0.94; 95% CI, 0.87‐1.01; marginal predicted probability 9.2% for rural and 9.8% for nonrural).

Conclusions

Rural childhood residence was associated with elevated depressive symptoms in middle‐aged and older adults; birth region, parental education, and own education appear to contribute to this disparity.
Board leadership structures in international joint ventures
Authors: Reuer Jeffrey J. , Klijn Elko
Published: July 2019

Research summary

We examine board leadership structures in international joint ventures (IJVs) and investigate the determinants of CEO duality (i.e., the CEO also serves as chair). In contrast to corporate governance research emphasizing principal‐agent conflicts in corporations, we argue that duality in IJVs can impair the board's execution of its responsibilities when the chair reflects the interests of one of the partners. We consider how unique characteristics of IJVs as organizational forms can exacerbate such governance challenges. In addition, we investigate how formal and relational governance mechanisms supporting IJVs might mitigate these concerns and lead parent firms to adopt unified board leadership structures. By joining the IJV and corporate governance literatures, we identify some of the distinctive properties and determinants of this facet of IJV governance.

Managerial Summary

A key facet of governance is whether the CEO also serves as chair of an organization's board. CEO duality can promote unity of command and decisive decision‐making, but can also have serious drawbacks. Our paper is unique in investigating CEO duality for international joint ventures (IJVs) rather than unitary corporations. In this context, the chair might prioritize one partner's interests over another partner's, particularly when the chair was appointed by that partner. This problem magnifies when IJVs are prone to conflicts or need to be adapted, so partners might wish to separate the CEO and chair roles when engaging in IJVs involving broad scope or operating in uncertain environments. However, well‐specified contracts can limit CEO discretion and protect partners from these downsides of duality.
Effect of viscous dissipation on Cu‐water and Cu‐kerosene nanofluids of axisymmetric radiative squeezing flow
Authors: Rout B. C. , Mishra S. R. , Thumma Thirupathi
Published: July 2019

This paper analyzes the axisymmetric squeezing current phenomena of Cu‐water and Cu‐kerosene for two dimensional nanofluid between two parallel plates. The effects of thermal radiation with velocity slip are also enhancing the subject as well. The similarity approach has been adopted to obtain the ordinary differential equations from partial differential equations. The solution of these complex coupled nonlinear equations is obtained analytically using the variation parameter method. For the corroboration of the current result, we have matched with prior results in particular cases and concluded that both the results coincide with each other. Computations are obtained for velocity and temperature profiles for different pertinent parameters along with skin friction and Nusselt number and presented via graphs and tables.
Induction of LOX by TGF‐β1/Smad/AP‐1 signaling aggravates rat myocardial fibrosis and heart failure
Authors: Lu Min , Qin Qingzhu , Yao Jungong , Sun Lin , Qin Xinglei
Published: July 2019

This study aims to evaluate the efficacy of lysyl oxidase (LOX) inhibition in regulating rat myocardial fibrosis and chronic heart failure (CHF) and to validate the regulation of LOX by TGF‐β1/Smad2/3 signaling in this process. A rat model of CHF was established by abdominal aortic coarctation. The renin‐angiotensin‐aldosterone system (RAAS) indexes (PRA, ACE2, Ang II, and ALD), cardiac function indicators (LVEF, LVFS, SAP, DAP, and LVEDP), ventricular remodeling‐ and fibrosis‐related indicators (hydroxyproline, collagen deposition,and MMP‐2/9), and morphological changes of myocardial tissues were examined. Rat cardiac fibroblasts (RCFs) were used in vitro assays. CHF patients showed increased LOX activity, accompanied by activated RAAS and TGF‐β1. Furthermore, inhibition of LOX by β‐aminopropionitrile (BAPN) mitigated the RAAS activation and attenuated cardiac dysfunction, ventricular remodeling, myocardial fibrosis, and collagen deposition in CHF rats. Moreover, TGF‐β1 signaling diminished the LOX inhibition‐mediated antiheart failure effect. Further assays showed that TGF‐β1/Smad2/3 signaling increased expression of c‐jun (AP‐1 transcription factor subunit), which transcriptionally induced LOX expression. Additionally, BAPN abrogated the TGF‐β1‐mediated increase in cell proliferation and levels of MMP‐2/9 and collagen I/III in RCFs. In conclusion, LOX can be induced by TGF‐β1/Smad/AP‐1 signaling and LOX inhibition attenuates rat myocardial fibrosis and CHF.
Dysregulated expression of STAT1, miR‐150, and miR‐223 in peripheral blood mononuclear cells of coronary artery disease patients with significant or insignificant stenosis
Authors: Saadatian Zahra , Nariman‐Saleh‐Fam Ziba , Bastami Milad , Mansoori Yasser , Khaheshi Isa , Parsa Saeed Alipour , Daraei Abdolreza , Vahed Sepideh Zununi , Yousefi Bahman , Kafil Hossein Samadi , Eyvazi Shirin , Ghaderian Sayyed Mohammad Hossein , Omrani Mir Davood
Published: July 2019

Coronary artery disease (CAD) is a multicellular disease characterized by chronic inflammation. Peripheral blood‐mononuclear cells (PBMCs), as a critical component of immune system, actively cross‐talk with pathophysiological conditions induced by endothelial cell injury, reflecting in perturbed PBMC expression. STAT1 is believed to be relevant to CAD pathogenesis through regulating key inflammatory processes and modulating STAT1 expression play key roles in fine‐tuning CAD‐related inflammatory processes. This study evaluated PBMC expressions of STAT1, and its regulators (miR‐150 and miR‐223) in a cohort including 72 patients with CAD with significant ( ≥ 50%) stenosis, 30 patients with insignificant ( < 50%) coronary stenosis (ICAD), and 74 healthy controls, and assessed potential of PBMC expressions to discriminate between patients and controls. We designed quantitative real‐time polymerase chain reaction (RT‐qPCR) assays and identified stable reference genes for normalizing PBMC quantities of miR‐150, miR‐223, and STAT1 applying geNorm algorithm to six small RNAs and five mRNAs. There was no significant difference between CAD and ICAD patients regarding STAT1 expression. However, both groups of patients had higher levels of STAT1 than healthy controls. miR‐150 and miR‐223 were differently expressed across three groups of subjects and were downregulated in patients compared with healthy controls, with the lowest expression levels being observed in patients with ICAD. ROC curves suggested that PBMC expressions may separate between different groups of study subjects. PBMC expressions also discriminated different clinical manifestations of CAD from ICADs or healthy controls. In conclusion, the present study reported PBMC dysregulations of STAT1, miR‐150, and miR‐223, in patients with significant or insignificant coronary stenosis and suggested that these changes may have diagnostic implications.
Understanding the molecular interaction of human argonaute‐2 and miR‐20a complex: A molecular dynamics approach
Authors: Mallick Bidyut , Sharma Ashish Ranjan , Lee Sang‐Soo , Chakraborty Chiranjib
Published: July 2019

Argonaute‐2 (AGO2), a member of the Argonaute family, is the only member possessing catalytic and RNA silencing activity. In here, a molecular dynamics (MDs) simulation was performed using the crystal structure of human AGO2 protein complex with miR‐20a. miR‐20a is involved with various kind of biological process like heart and lung development, oncogenic process, etc. In precise, MD simulation was carried out with AGO2 protein complex with wild type, two mutant sites and four mutant sites in guided microRNA (miRNA). It has been noted that root‐mean‐square deviation (RMSD) of atomic positions of nucleic acid for wild type and two mutant sites guided miRNA has the same pattern of fluctuations, which stabilizes around 0.27 nm after 2 ns. Cα atom of AGO2 protein in the complex shows that this complex with wild type and two mutant site mutation duplex has a stable RMSD value after 20 ns, ranging between 0.14 and 0.21 nm. From the root‐mean‐square fluctuation (RMSF), we observed an increased pattern of fluctuations for the atoms of four mutant complex of AGO2‐miR‐20a complex. This increased RMSF of non‐mutated nucleic acids is contributed by U‐A bond breaking at the site of the nucleotide of U2 of guided miRNA, as observed from the duplex structure taken at different time steps of the simulation. Superimposed structure of the miRNA‐mRNA duplex for the three complexes depicts that the three miRNA‐mRNA duplexes are stable during the simulation. Current work demonstrates the possible correlations between the conformational changes of this AGO2‐miR‐20a duplex structure and the interactions of different atoms.
Thermal decomposition mechanisms of the energetic benzotrifuroxan:1,3,3‐trinitroazetidine cocrystal using ab initio molecular dynamics simulations
Authors: Xie Huimin , Zhu Weihua
Published: July 2019

Ab initio molecular dynamics simulations were performed to investigate the thermal decomposition mechanisms of the energetic benzotrifuroxan (BTF):1,3,3‐trinitroazetidine (TNAZ) cocrystal at high temperature. It is found that there are four initial reaction mechanisms involved in the decomposition of the cocrystal. Subsequent decomposition channels can be divided into three types: BTF‐chain isomerization, C─NO2 bond homolysis, and ring opening. After that, one main path is that long chains decomposed into small radicals gradually after the ring opening. The other is that a new ring was formed after the ring opening and then it will break by degrees. Releasing of the H radicals and oxygen‐containing groups plays an important role in the whole decomposition process. We also studied the release mechanisms of nitrogen gas and carbon dioxide in the later decomposition stage. Our study may provide new insights into the initiation mechanisms and subsequent decomposition of cocrystal explosives at high temperature.
Development of dipyridine‐based coordinative polymers for reusable heterogeneous catalysts
Authors: Chang Hsiang‐Chun , Li Jia‐Qi , Lin Ching‐Kai , Hsu Yu‐Jung , Tu Tsung‐Han , Hsieh Yi‐Liang , Hsu Hsiu‐Hao , Lee Gene‐Hsiang , Liu Yi‐Hung , Peng Chi‐How
Published: July 2019

Poly(di(pyridin‐2‐yl)methyl acrylate) (PDPyMA), which was obtained by the free radical polymerization of designed coordinative monomer of di(pyridin‐2‐yl)methyl acrylate, is able to coordinate with various metal ions to form heterogeneous catalysts for diverse catalytic reactions. The Pd and Cu complexes supported by PDPyMA were developed for the heterogeneous Suzuki‐Miyaura reaction and Friedel‐Crafts alkylation, respectively. The PDPyMA‐based catalysts showed no significant decline of reactivity after five times recycling. However, the hydrolysis of the PDPyMA backbone under alkaline conditions limited the catalytic efficiency of this heterogeneous catalyst so that the coordinative monomer was redesigned as 1,1‐di(pyridine‐2‐yl)‐2‐(4‐vinylphenyl)ethan‐1‐ol and then 2,2′‐(1‐methoxy‐2‐(4‐vinylphenyl)ethane‐1,1‐diyl)dipyridine (MVPhDPy). With copolymerization of N‐isopropyl acrylamide (NIPAM), the efficiency of polymer‐based heterogeneous catalysts could be further raised, demonstrated by the increased turn over number in the Suzuki‐Miyaura reaction, which approached 5,260 by using the catalyst formed from poly(MVPhDPy‐co‐NIPAM) and Pd(OAc)2. poly(MVPhDPy‐co‐NIPAM) copolymer, therefore, could be a versatile platform to support different metal ions for various heterogeneous catalytic reactions.
TIGAR impedes compression‐induced intervertebral disc degeneration by suppressing nucleus pulposus cell apoptosis and autophagy
Authors: Li Zhiliang , Shao Zengwu , Chen Songfeng , Huang Donghua , Peng Yizhong , Chen Sheng , Ma Kaige
Published: July 2019

To investigate whether TP53‐induced glycolysis and apoptosis regulator (TIGAR) participates in compression‐induced intervertebral disc (IVD) degeneration, and to determine the regulatory effect of TIGAR on nucleus pulposus (NP) cell autophagy and apoptosis following compression‐induced injuries. IVD tissues were collected from human patients undergoing surgery (n = 20) and skeletally mature Sprague‐Dawley rats (n = 15). Initially, the effect of compression on the expression of TIGAR was evaluated with in vivo and in vitro models. In addition, TIGAR was silenced to investigate the regulatory effect of TIGAR on compression‐induced intracellular reactive oxygen species (ROS) levels, autophagy, and apoptosis in rat NP cells. Furthermore, the P53 inhibitor pifithrin‐α (PFTα) and SP1 inhibitor mithramycin A were employed to detect expression level changes of TIGAR and autophagy‐associated target molecules. TIGAR expression of NP cells increased gradually in human degenerative IVDs and in rat NP cells under compression both in vivo and in vitro. TIGAR knockdown enhanced compression‐induced intracellular ROS generation and the NADPH/NADP+ and GSH/GSSG ratios. Moreover, TIGAR knockdown amplified the compression‐induced caspase‐3 activation and the apoptosis rate of rat NP cells. Likewise, knockdown of TIGAR significantly accelerated LC3B expression and autophagosome formation in rat NP cells during compression‐induced injuries. The results also established that mithramycin A could inhibit TIGAR expression and autophagy levels in NP cells under compression conditions, while PFTα had no similar effect. Our data demonstrated that TIGAR acted as an important endogenous negative regulator of ROS levels, which might inhibit compression‐induced apoptosis and autophagy through SP1‐dependent mechanisms.