bluuebunny/crossref_metadata_2025_split huggingface dataset:
Validity and reliability of work ability index (WAI) questionnaire among Iranian workers; a study in petrochemical and car manufacturing industries
Authors: Adel Mazloumi , Akbar Rostamabadi , Ehsan Garosi 
Published: January 2019

Abstract

Objectives
Maintenance and promotion of employees’ work ability is one of the important social goals. This study is aimed at investigating psychometric properties of the Persian translation of work ability index (WAI).

Methods
A total number of 750 employees were randomly selected from car manufacturing and petrochemical industries. Reliability of the questionnaire was determined using test-retest and Cronbach alpha coefficient. Factor analysis was used for assessing construct validity. To determine discriminant validity, the mean score of total WAI was compared between workers with high and low sick leave rate.

Results
Intraclass correlation coefficients for its seven dimensions were estimated higher than 0.7. The questionnaire showed a good internal consistency, Cronbach α = 0.78. Factor analysis showed a three-factor structure model for Persian translation of WAI including: mental resources, self-perceived work ability, and presence of disease and health-related limitation. A good level of discriminant validity was observed for all WAI dimensions except the item “work ability regarding work demands.”

Discussion
The study findings indicate that the Persian version of WAI questionnaire has good psychometric properties of internal consistency and test-retest showed a good reliability of WAI questionnaire, which is in line with those found in previous studies. Therefore, this tool can be considered as a reliable instrument for assessing work ability.
Alternate quinone coupling in a new class of succinate dehydrogenase may potentiate mycobacterial respiratory control
Authors: Hards Kiel , Rodriguez Salome Molano , Cairns Charlotte , Cook Gregory M. 
Published: January 2019

There is a paucity of information on the unique components that pathogens use to form respiratory chains. It is not known why mycobacteria encode multiple succinate dehydrogenases (SDHs) to perform menaquinone‐linked succinate oxidation, a thermodynamically unfavorable reaction (ΔG° = +21 kJ·mol−1). In other bacteria, specific di‐heme SDHs overcome this using the proton motive force. It is unknown if this holds true in mycobacteria. Here, succinate dehydrogenase 1 (Sdh1) from Mycobacterium smegmatis was purified and found to not contain heme cofactors. Proteoliposomes, containing Sdh1, are active with coenzyme Q2 (Km ~ 12 μm), are competitively inhibited by menaquinone (Ki ~ 25 μm) and do not generate or consume electrochemical gradients. Sdh1 may use higher potential quinones in vivo and forms a novel SDH class, which we term ‘Type F’.
Toward Chirality‐Encoded Domain Wall Logic
Authors: Omari Khalid A. , Broomhall Thomas J. , Dawidek Richard W. S. , Allwood Dan A. , Bradley Ruth C. , Wood Jonathan M. , Fry Paul W. , Rosamond Mark C. , Linfield Edmund H. , Im Mi‐Young , Fischer Peter J. , Hayward Tom J. 
Published: January 2019

AbstractNonvolatile logic networks based on spintronic and nanomagnetic technologies have the potential to create high‐speed, ultralow power computational architectures. This article explores the feasibility of “chirality‐encoded domain wall logic,” a nanomagnetic logic architecture where data are encoded by the chiral structures of mobile domain walls in networks of ferromagnetic nanowires and processed by the chiral structures' interactions with geometric features of the networks. High‐resolution magnetic imaging is used to test two critical functionalities: the inversion of domain wall chirality at tailored artificial defect sites (logical NOT gates) and the chirality‐selective output of domain walls from 2‐in‐1‐out nanowire junctions (common operation to AND/NAND/OR/NOR gates). The measurements demonstrate both operations can be performed to a good degree of fidelity even in the presence of complex magnetization dynamics that would normally be expected to destroy chirality‐encoded information. Together, these results represent a strong indication of the feasibility of devices where chiral magnetization textures are used to directly carry, rather than merely delineate, data.
Impact of the Solvation State of Lead Iodide on Its Two‐Step Conversion to MAPbI3: An In Situ Investigation
Authors: Barrit Dounya , Cheng Peirui , Tang Ming‐Chun , Wang Kai , Dang Hoang , Smilgies Detlef‐M. , Liu Shengzhong (Frank) , Anthopoulos Thomas D. , Zhao Kui , Amassian Aram 
Published: January 2019

AbstractProducing high efficiency solar cells without high‐temperature processing or use of additives still remains a challenge with the two‐step process. Here, the solution processing of MAPbI3 from PbI2 films in N,N‐dimethylformamide (DMF) is investigated. In‐situ grazing incidence wide‐angle X‐ray scattering (GIWAXS) measurements reveal a sol–gel process involving three PbI2‐DMF solvate complexes—disordered (P0) and ordered (P1, P2)—prior to PbI2 formation. When the appropriate solvated state of PbI2 is exposed to MAI (methylammonium Iodide), it can lead to rapid and complete room temperature conversion into MAPbI3 with higher quality films and improved solar cell performance. Complementary in‐situ optical reflectance, absorbance, and quartz crystal microbalance with dissipation (QCM‐D) measurements show that dry PbI2 can take up only one third of the MAI taken up by the solvated‐crystalline P2 phase of PbI2, requiring additional annealing and yet still underperforming. The perovskite solar cells fabricated from the ordered P2 precursor show higher power conversion efficiency (PCE) and reproducibility than devices fabricated from other cases. The average PCE of the solar cells is greatly improved from 13.2(±0.53)% (from annealed PbI2) to 15.7(±0.35)% (from P2) reaching up to 16.2%. This work demonstrates the importance of controlling the solvation of PbI2 as an effective strategy for the growth of high‐quality perovskite films and their application in high efficiency and reproducible solar cells.
Enhanced Charge Injection Properties of Organic Field‐Effect Transistor by Molecular Implantation Doping
Authors: Kim Youngrok , Chung Seungjun , Cho Kyungjune , Harkin David , Hwang Wang‐Taek , Yoo Daekyoung , Kim Jae‐Keun , Lee Woocheol , Song Younggul , Ahn Heebeom , Hong Yongtaek , Sirringhaus Henning , Kang Keehoon , Lee Takhee 
Published: January 2019

AbstractOrganic semiconductors (OSCs) have been widely studied due to their merits such as mechanical flexibility, solution processability, and large‐area fabrication. However, OSC devices still have to overcome contact resistance issues for better performances. Because of the Schottky contact at the metal–OSC interfaces, a non‐ideal transfer curve feature often appears in the low‐drain voltage region. To improve the contact properties of OSCs, there have been several methods reported, including interface treatment by self‐assembled monolayers and introducing charge injection layers. Here, a selective contact doping of 2,3,5,6‐tetrafluoro‐7,7,8,8‐tetracyanoquinodimethane (F4‐TCNQ) by solid‐state diffusion in poly(2,5‐bis(3‐hexadecylthiophen‐2‐yl)thieno[3,2‐b]thiophene) (PBTTT) to enhance carrier injection in bottom‐gate PBTTT organic field‐effect transistors (OFETs) is demonstrated. Furthermore, the effect of post‐doping treatment on diffusion of F4‐TCNQ molecules in order to improve the device stability is investigated. In addition, the application of the doping technique to the low‐voltage operation of PBTTT OFETs with high‐k gate dielectrics demonstrated a potential for designing scalable and low‐power organic devices by utilizing doping of conjugated polymers.
IronIII‐catalyzed Chemoselective Cycloaromatization Reactions for the synthesis of 5‐Brominated Benzo[b]fluorenones
Authors: Tan Jie , Wang Zhihua , Yuan Jianjun , Peng Yiyuan , Chen Zhiyuan 
Published: January 2019

AbstractA FeIII‐catalyzed cycloaromatization reaction of acyclic diaryldiyn‐3‐ones has been established. The reaction proceeds under gentle catalytic conditions with good functional group tolerance, to offer a straightforward and chemoselective avenue to 5‐brominated benzo[b]fluorenones. An allenoate‐type nine‐membered organoferric cyclic species and an alternative concerted mechanism were proposed in this reaction.magnified image
Variational Quantum Simulation for Quantum Chemistry
Authors: Li Yifan , Hu Jiaqi , Zhang Xiao‐Ming , Song Zhigang , Yung Man‐Hong 
Published: January 2019

AbstractVariational quantum‐classical hybrid algorithms are emerging as important tools for simulating quantum chemistry with quantum devices. These algorithms can be applied to evaluate various molecular properties, including potential energy surfaces. Here in, recent progresses on the development of the so‐called variational quantum eigensolver (VQE) are surveyed. The eigensolver aims at reducing the consumption of quantum resources as much as possible. The key feature of VQE is that variation quantum states are optimized by a feedback process, where the measurement of the Hamiltonian is implemented term by term. This approach avoids the need of encoding all of the information about the molecular Hamiltonian in a quantum circuit. The VQE method is also compatible with classical methods in quantum chemistry, such as unitary coupled‐cluster ansatz. Furthermore, basic elements of VQE are covered, such as qubit encoding, mapping rules of the fermionic operators, ansatz preparation, together with several techniques for improving the performance, including constraining, and error mitigation.
Fully Bioabsorbable Capacitor as an Energy Storage Unit for Implantable Medical Electronics
Authors: Li Hu , Zhao Chaochao , Wang Xinxin , Meng Jianping , Zou Yang , Noreen Sehrish , Zhao Luming , Liu Zhuo , Ouyang Han , Tan Puchuan , Yu Min , Fan Yubo , Wang Zhong Lin , Li Zhou 
Published: January 2019

AbstractImplantable medical electronic devices are usually powered by batteries or capacitors, which have to be removed from the body after completing their function due to their non‐biodegradable property. Here, a fully bioabsorbable capacitor (BC) is developed for life‐time implantation. The BC has a symmetrical layer‐by‐layer structure, including polylactic acid (PLA) supporting substrate, PLA nanopillar arrays, self‐assembled zinc oxide nanoporous layer, and polyvinyl alcohol/phosphate buffer solution (PVA/PBS) hydrogel. The as‐fabricated BC can not only work normally in air but also in a liquid environment, including PBS and the animal body. Long‐term normal work time is achieved to 30 days in PBS and 50 days in Sprague–Dawley (SD) rats. The work time of BC in the liquid environment is tunable from days to weeks by adopting different encapsulations along BC edges. Capacitance retention of 70% is achieved after 3000 cycles. Three BCs in series can light up 15 green light‐emitting diodes (LEDs) in vivo. Additionally, after completing its mission, the BC can be fully degraded in vivo and reabsorbed by a SD rat. Considering its performance, the developed BC has a great potential as a fully bioabsorbable power source for transient electronics and implantable medical devices.
Therapeutic Remodeling of the Tumor Microenvironment Enhances Nanoparticle Delivery
Authors: Chen Yuanxin , Liu Xiujie , Yuan Hengfeng , Yang Zhaogang , von Roemeling Christina A. , Qie Yaqing , Zhao Hai , Wang Yifan , Jiang Wen , Kim Betty Y. S. 
Published: January 2019

AbstractA major challenge in the development of cancer nanomedicine is the inability for nanomaterials to efficiently penetrate and deliver therapeutic agents into solid tumors. Previous studies have shown that tumor vasculature and extracellular matrix regulate the transvascular and interstitial transport of nanoparticles, both critical for successfully delivering nanomedicine into solid tumors. Within the malignant tumor microenvironment, blood vessels are morphologically abnormal and functionally exhibit substantial permeability. Furthermore, the tumor extracellular matrix (ECM), unlike that of the normal tissue parenchyma, is densely packed with collagen. These pathophysiological properties greatly impede intratumoral delivery of nanomaterials. By using an antivascular endothelial growth factor receptor antibody, DC101, and an antitransforming growth factor β1 (TGF‐β1) antibody, normalization of the tumor vasculature and ECM is achieved, respectively, in a syngeneic murine glioma model. This normalization effect results in a more organized vascular network, improves tissue perfusion, and reduces collagen density, all of which contribute to enhanced nanoparticle delivery and distribution within tumors. These findings suggest that combined vascular and ECM normalization strategies can be used to remodel the tumor microenvironment and improve nanomedicine delivery into solid tumors, which has significant implications for developing more effective combinational therapeutic strategies using cancer nanomedicine.
Outstanding Piezoelectric Performance in Lead‐Free 0.95(K,Na)(Sb,Nb)O3‐0.05(Bi,Na,K)ZrO3 Thick Films with Oriented Nanophase Coexistence
Authors: Wang Yumei , Wu Haijun , Qin Xian , Yao Kui , Pennycook Stephen J. , Tay Francis Eng Hock 
Published: January 2019

AbstractLead‐free 0.95(K0.48Na0.52)(Nb0.95Sb0.05)O3‐0.05Bi0.5(Na0.82K0.18)0.5ZrO3 (KNSN‐BNKZ0.05) piezoelectric films with preferred crystal orientation and enhanced thickness are fabricated on silicon substrates from a chemical solution approach. Adequate K excess is introduced to obtain a single perovskite phase in the resulting thicker films. The effects of thickness, crystal orientation, and structure of the films on the performance are investigated. Outstandingly large effective piezoelectric strain coefficient up to 250 pm V−1 is demonstrated over a macroscopic scale using a laser scanning vibrometer in the [100]‐KNSN‐BNKZ0.05 film with an enhanced thickness of 2.7 µm, competitive to the benchmark oriented lead zirconate titanate films on silicon. Atomically resolved electron microscopy reveals the coexistence of oriented ferroelectric rhombohedral (R) and tetragonal (T) phases at the nanometer scale with gradual polarization rotation, which can lower the domain wall energy and facilitate the large piezoelectric response. The increased film thickness reduces the in‐plane mechanical clamping to enable more free deformation in the thickness direction and improve domain wall mobility, both further contributing to enhanced piezoelectric response.
Dehydrative C‐ and S‐Alkylation: Access to Highly Substituted 1‐Sulfonylpropanes
Authors: Aegurla Balakrishna , Peddinti Rama Krishna 
Published: January 2019

AbstractA dehydrative C− and S−alkylation procedure by nucleophilic substitution of γ‐hydroxysufones with arenes and thiophenols is reported. This study represents an elegant and ecological concept to construct C−C and C−S bonds leading to unsymmetrical 1,1‐ and 3,3‐branched propanes. The γ‐hydroxysufones underwent BF3 ⋅ OEt2‐mediated dehydrative arylation and thiolation at room temperature and elimination at 40 °C. The nucleophile attack occurred on the less hindered side of a planar benzylic carbocation to furnish the title compounds with good diastereoselectivity.
Microcurrent technology for rapid relief of sinus pain: a randomized, placebo‐controlled, double‐blinded clinical trial
Authors: Maul Ximena A. , Borchard Nicole A. , Hwang Peter H. , Nayak Jayakar V. 
Published: January 2019

BackgroundTranscutaneous electrical nerve stimulation has proven to be effective in alleviating chronic pain from facial myalgias. We evaluated the efficacy of a novel handheld microcurrent‐emitting device in short‐term, office‐based treatment of patients with sinus pain. This device, which is U.S. Food and Drug Administration (FDA)‐cleared, detects and treats regions corresponding to nerve fibers.MethodsRandomized, double‐blinded, placebo‐controlled trial. Seventy‐one participants with facial pain attributed to self‐reported nasal/sinus disease were recruited from a tertiary rhinologic practice and the surrounding community and randomly assigned to either office‐based use of an active (n = 38) or placebo (n = 33) microcurrent emitter. The study device was repetitively applied by each patient to the bilateral periorbital areas for 5 minutes. A visual analogue scale (VAS) for pain severity was administered before, and 10 minutes after, treatment.ResultsActive microcurrent‐treated patients had a reduction in mean pain score from 5.63 pretreatment to 3.97 posttreatment (mean difference, 1.66; 95% confidence interval [CI], 1.20 to 2.12). Patients using the sham device also reported sinus pain reductions (mean difference, 0.91; 95% CI, 0.61 to 1.21). However, the active device demonstrated a significantly greater reduction in pain compared to sham (0.75‐point difference, p = 0.007). Notably, 23.7% of patients using the active device had a reduction of 3 or more points by VAS compared to 0% of sham device patients (p = 0.003). One minor occurrence of transient facial skin erythema was noted.ConclusionThis trial suggests that treatment of rhinologic facial pain using this noninvasive microcurrent device is safe and effective in providing rapid relief of nasal/sinus pain. Additional studies with longer term follow‐up are warranted.
NIFTy 3 – Numerical Information Field Theory: A Python Framework for Multicomponent Signal Inference on HPC Clusters
Authors: Steininger Theo , Dixit Jait , Frank Philipp , Greiner Maksim , Hutschenreuter Sebastian , Knollmüller Jakob , Leike Reimar , Porqueres Natalia , Pumpe Daniel , Reinecke Martin , Šraml Matevž , Varady Csongor , Enßlin Torsten 
Published: January 2019

AbstractNIFTy, “Numerical Information Field Theory,” is a software framework designed to ease the development and implementation of field inference algorithms. Field equations are formulated independently of the underlying spatial geometry allowing the user to focus on the algorithmic design. Under the hood, NIFTy ensures that the discretization of the implemented equations is consistent. This enables the user to prototype an algorithm rapidly in 1D and then apply it to high‐dimensional real‐world problems. This paper introduces NIFTy 3, a major upgrade to the original NIFTy framework. NIFTy 3 allows the user to run inference algorithms on massively parallel high performance computing clusters without changing the implementation of the field equations. It supports n‐dimensional Cartesian spaces, spherical spaces, power spaces, and product spaces as well as transforms to their harmonic counterparts. Furthermore, NIFTy 3 is able to handle non‐scalar fields, such as vector or tensor fields. The functionality and performance of the software package is demonstrated with example code, which implements a mock inference inspired by a real‐world algorithm from the realm of information field theory. NIFTy 3 is open‐source software available under the GNU General Public License v3 (GPL‐3) at https://gitlab.mpcdf.mpg.de/ift/NIFTy/tree/NIFTy_3.
Doping Sumanene with Both Chalcogens and Phosphorus(V): One‐Step Synthesis, Coordination, and Selective Response Toward AgI
Authors: Wang Shitao , Yan Chaoxian , Shang Jihai , Wang Wenbo , Yuan Chengshan , Zhang Hao‐Li , Shao Xiangfeng 
Published: January 2019

AbstractHeterasumanenes 4–6 containing chalcogen (S, Se, and Te) and phosphorus atoms have been synthesized in a one‐pot reaction from trichalcogenasumanenes 1–3 by replacing one chalcogen atom with a P=S unit. The P=S unit makes 4–6 almost planar and shrinks the HOMO–LUMO gap as compared to 1–3. The bonding between Ag+ and S atom on P=S brings about a distinct change to the optical properties of 4–6; 4 in particular shows a selective fluorescence response toward Ag+ with LOD of 0.21 μm. Compounds 4–6 form complexes with AgNO3 to be (4)2⋅AgNO3, (5)2⋅AgNO3, and (6)2⋅(AgNO3)3. In complexes, the coordination between Ag+ and P=S is observed, which leads to shrinkage of C−P and C−X (X=S, Se, Te) bond lengths. As a result, 4, 5, and 6 are all bowl‐shaped in complexes with bowl‐depths reaching to 0.66 Å, 0.42 Å, and 0.40 Å, respectively. There are Ag−Te dative bonds between Ag+ and Te atom on telluorophene in (6)2⋅(AgNO3)3.
Composites of poly(lactic acid)/poly(butylene adipate‐co‐terephthalate) blend with wood fiber and wollastonite: Physical properties, morphology, and biodegradability
Authors: Chaiwutthinan Phasawat , Chuayjuljit Saowaroj , Srasomsub Sarinya , Boonmahitthisud Anyaporn 
Published: January 2019

ABSTRACTPoly(lactic acid) (PLA) was first melt blended with five weight percentages (10–50 wt %) of poly(butylene adipate‐co‐terephthalate) (PBAT) on a twin‐screw extruder and then injection molded. The blend at 30 wt % PBAT exhibited the highest impact strength and elongation‐at‐break without phase inversion. The 70/30 (w/w) PLA/PBAT blend with high toughness improvement was selected for preparing both single and hybrid composites using an organic filler, wood fiber (WF) and inorganic filler, wollastonite (WT) with a fix total loading at 30 parts per hundred of resin (phr) throughout the experiment. Five WF/WT (phr/phr) ratios for the composites were 30/0, 10/20, 15/15, 20/10, and 0/30. The prepared composites were investigated for the mechanical and thermal properties, melt flow index (MFI), morphology, flammability, water uptake, and biodegradability as a function of composition. All the composites showed a filler‐dose‐dependent decrease in the impact strength, elongation‐at‐break, MFI, and thermal stability, but an increase in the tensile and flexural modulus, tensile and flexural strength, antidripping ability, and water uptake compared with the neat blend. The addition of WF and WT was also found to promote the biodegradability of the PLA/PBAT blend. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47543.
Molar mass distribution by size exclusion chromatography: Comparison of multi‐angle light scattering and universal calibration
Authors: Podzimek Stepan 
Published: January 2019

ABSTRACTSeries of polymers of various molar mass, chemical composition, and molecular architecture was analyzed by size exclusion chromatography (SEC) coupled with a multi‐angle light scattering (MALS) photometer and an online viscometer. The molar mass averages were determined from the signal of MALS or calculated from the intrinsic viscosity and universal calibration. The comparison of the obtained results showed significant differences between the two methods. The MALS detection was shown to be more accurate for the determination of the weight‐average molar mass and less vulnerable to the spreading of polymer peak by band broadening. The universal calibration can yield more accurate estimation of the number‐average molar mass of branched polymers. It is also significantly more accurate for the characterization of fluorescent polymers than MALS with a regular laser of 660 nm. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47561.
An interview with Sam C. Saunders
Authors: Leiva Víctor 
Published: January 2019

AbstractSam C. Saunders, the son of Elizabeth Cundiff and Winston E. Saunders, was born in Richland, OR, on February 24, 1931. The family moved to La Grande, OR, in 1944, where Sam completed high school and two years at Eastern Oregon College. He then received the BSc degree in Mathematics from the University of Oregon, Eugene, OR, in 1952, and he attended the University of Washington, Seattle, WA, receiving a PhD degree under Z. W. Birnbaum. After graduating, he accepted employment at the Boeing Company in its Mathematical Services Unit and, in 1972, a position as a Full Professor at Washington State University, Pullman, WA, from which he retired in 1996.