bluuebunny/crossref_metadata_2025 huggingface dataset:
Nano‐Sized Inorganic Energy‐Materials by the Low‐Temperature Molecular Precursor Approach
Authors: Panda Chakadola , Menezes Prashanth W. , Driess Matthias
Published: May 2018

The low‐temperature synthesis of inorganic materials and their interfaces at the atomic and molecular level provides numerous opportunities for the design and improvement of inorganic materials in heterogeneous catalysis for sustainable chemical energy conversion or other energy‐saving areas. Using suitable molecular precursors for functional inorganic nanomaterial synthesis allows for facile control over uniform particle size distribution, stoichiometry, and leads to desired chemical and physical properties. This Minireview outlines some advantages of the molecular precursor approach in light of selected recent developments of molecule‐to‐nanomaterials synthesis for renewable energy applications, relevant for the oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and overall water‐splitting.
Facile dispersion of exfoliated graphene/PLA nanocomposites via in situ polycondensation with a melt extrusion process and its rheological studies
Authors: Chakraborty Gourhari , Gupta Arvind , Pugazhenthi G. , Katiyar Vimal
Published: May 2018

This work attempted to improve the dispersion of graphene by coating poly(lactic acid) pellets with a masterbatch before melt processing. An in situ polycondensation reaction of lactic acid oligomer was utilized to prepare the masterbatch (MB) of exfoliated graphene (GR). MB dispersed composites of poly(lactic acid) (PLA) were fabricated by melt extrusion of MB‐coated PLA. One normal coated composite without MB coating (PLA‐M‐0.2GR) was fabricated for comparing properties. X‐ray diffraction, Raman spectroscopy, and morphological studies revealed better compatibility, dispersion, and interaction of GR for the diluted‐MB composite compared to the normal coated composite. The thermal stability, crystallization properties, and mechanical properties of the composites were examined, and the effect of short PLA chains in diluted‐MB composites was observed. The melt rheology nature of the composites was examined. Cole–Cole plots and Han plots suggested a uniform distribution of graphene. The sample PLA‐MB‐0.05GR showed improved modulus and elongation at break. It also showed better dispersion of GR, comparable thermal stability, good miscibility, good chain mobility, and high activation energy. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46476.
Dielectric properties of modified montmorillonites suspensions in polydimethylsiloxane
Authors: Kuznetsov Nikita M. , Shevchenko Vitaliy G. , Stolyarova Dina Yu. , Ozerin Sergei A. , Belousov Sergey I. , Chvalun Sergei N.
Published: May 2018

The dielectric characteristics of various modified montmorillonites suspensions in polydimethylsiloxane were investigated. Such materials are promising candidates as electrorheological fluids. The effect of small water content and temperature change in the dielectric spectra of suspensions was studied. The electrical conductivity of suspensions rises with filler concentration. Conductivity also increases with frequency for all samples by 5–6 orders of magnitude. The frequency dependence of permittivity changes significantly with temperature and strongly depends on the type of modifier. The positions of relaxation transitions peaks observed in dielectric loss curves substantially depend on the type of filler and water content. Dielectric loss peaks shift to higher frequencies with temperature. Relaxation mechanism is related to filler and described by capacitor model. Based on X‐ray data a model of relaxation transitions is proposed. Also, the activation energy of dielectric relaxation is estimated. The activation energy is independent of filler concentration but is determined by the structural features of fillers in polymer medium. The prospects of dielectric spectroscopy for analyzing the layered nanosilicates structure in polymer solution are demonstrated. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46614.
Synthesis, characterization, and drug release activity of structurally modified poly(vinyl alcohol)
Authors: Jeyaraman P. , Jeyabala D. , Meenarathi B. , Tung Kuo‐Lun , Anbarasan R.
Published: May 2018

The main aim of the present investigation is synthesis of drug‐grafted poly(vinyl alcohol) (PVA) for sustainable drug release in order to avoid bulk release and unwanted side effects. Here, the PVA was structurally modified with five different drug molecules in DMSO medium at 85 °C under N2 atmosphere for 2 h. The structure of modified PVA was confirmed by FTIR and 1H NMR spectra and further it was characterized by TGA, DSC, and SEM. The tensile strength and % elongation for the structurally modified PVA were determined. The FTIR spectrum showed peaks corresponding to the CO and CS stretching due to the grafted drug molecules. The 1H NMR spectrum showed the acrylic CH2 proton signal of PVA around 1.6 ppm. The SEM showed different surface morphology for the structurally modified PVA. The mechanical properties of the structurally modified PVA was found to be reduced due to the presence of traces of solvent molecules and the breaking of inter‐ and intramolecular hydrogen bonding. The sustainable drug release through hydrolysis mechanism was tested at the pH of 7.3. Generally, the drug release followed the Korsmeyer–Peppas model with Fickian drug transportation mechanism except Furosemide (Fur)‐grafted PVA system at the pH of 7.3. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46620.
Peak Day Water Demand Management Study Heralds Innovation, Connection, Cooperation
Authors: Mayer Peter , Hunter Margaret , Smith Rebecca
Published: May 2018

The water sector can use remote‐controlled, peak‐shaving programs to manage the highest points of irrigation demand and thus delay, or even avoid, costly infrastructure expansion.
Solid‐State MAS NMR Study of Hydrated/Dehydrated Phosphorus‐modified ZSM‐5 Zeolite
Authors: Oh You Seung , Kim Chul
Published: May 2018

The chemical changes of the phosphorus‐modified ZSM‐5 zeolites in hydration/dehydration processes have been studied by using the solid‐state MAS NMR spectroscopy. The identification of the chemical species of the steamed or washed zeolite could be done by analyzing the spectral changes on the solid‐state multinuclear MAS NMR spectroscopy when the zeolite was hydrated and dehydrated. It was reconfirmed that the steaming process effectively remove Al‐attached polyphosphates from the zeolite framework even though the zeolite was modified with phosphorus but the washing process did not. Dehydration process led to a dramatic change of aluminum species by breaking the aluminum‐oxygen bond in the zeolite framework and to a formation of polyphosphate attached to aluminum.
Sensor‐based gait analysis in atypical parkinsonian disorders
Authors: Raccagni Cecilia , Gaßner Heiko , Eschlboeck Sabine , Boesch Sylvia , Krismer Florian , Seppi Klaus , Poewe Werner , Eskofier Bjoern M. , Winkler Juergen , Wenning Gregor , Klucken Jochen
Published: May 2018

Background and Objectives

Gait impairment and reduced mobility are typical features of idiopathic Parkinson's disease (iPD) and atypical parkinsonian disorders (APD). Quantitative gait assessment may have value in the diagnostic workup of parkinsonian patients and as endpoint in clinical trials. The study aimed to identify quantitative gait parameter differences in iPD and APD patients using sensor‐based gait analysis and to correlate gait parameters with clinical rating scales.

Subjects and Methods

Patients with iPD and APD including Parkinson variant multiple system atrophy and progressive supranuclear palsy matched for age, gender, and Hoehn and Yahr (≤3) were recruited at two Movement Disorder Units and assessed using standardized clinical rating scales (MDS‐UPDRS‐3, UMSARS, PSP‐RS). Gait analysis consisted of inertial sensor units laterally attached to shoes, generating as objective targets spatiotemporal gait parameters from 4 × 10 m walk tests.

Results

Objective sensor‐based gait analysis showed that gait speed and stride length were markedly reduced in APD compared to iPD patients. Moreover, clinical ratings significantly correlated with gait speed and stride length in APD patients.

Conclusion

Our findings suggest that patients with APD had more severely impaired gait parameters than iPD patients despite similar disease severity. Instrumented gait analysis provides complementary rater independent, quantitative parameters that can be exploited for clinical trials and care.
Safety and pharmacokinetics of veliparib extended‐release in patients with advanced solid tumors: a phase I study
Authors: Werner Theresa L. , Sachdev Jasgit , Swisher Elizabeth M. , Gutierrez Martin , Kittaneh Muaiad , Stein Mark N. , Xiong Hao , Dunbar Martin , Sullivan Danielle , Komarnitsky Philip , McKee Mark , Tan Antoinette R.
Published: May 2018

The poly(ADP‐ribose) polymerase‐1/2 inhibitor veliparib is active against tumors deficient in homologous DNA damage repair. The pharmacokinetics and safety of veliparib extended‐release (ER) were evaluated in patients with advanced solid tumors. This phase I study assessed veliparib‐ER up to 800 mg once daily or 600 mg twice daily. Dose‐limiting toxicities (DLTs), recommended phase II dose (RP2D), and maximum tolerated dose (MTD) were assessed in cycle 1 and safety/tolerability during continuous administration (28‐day cycles). Seventy‐one patients (n = 53 ovarian, n = 17 breast, n = 1 prostate carcinoma) received veliparib; 50 had deleterious breast cancer susceptibility (BRCA) gene mutations. Single‐dose veliparib‐ER 200 mg (fasting) led to 58% lower peak concentration and similar area under the concentration‐time curve compared with veliparib immediate‐release (IR). Three patients experienced DLTs (grade 2: asthenia; grade 3: nausea/vomiting, seizure). RP2D and MTD for veliparib‐ER were 400 mg BID. The most frequent adverse events (AEs) were nausea (78.9%) and vomiting (50.7%). The most common grade 3/4 treatment‐related AEs were as follows: thrombocytopenia (7.0%), nausea, and anemia (4.2% each). Overall, 12 (27.3%) patients with ovarian and 10 (62.5%) patients with breast carcinoma had a partial response. Veliparib‐ER, versus veliparib‐IR, exhibited an improved pharmacokinetic profile and was well tolerated in patients with ovarian and BRCA‐mutated breast cancers.
Pattern and risk factors for distant metastases in gastrointestinal neuroendocrine neoplasms: a population‐based study
Authors: Cai Wen , Tan Yinuo , Ge Weiting , Ding Kefeng , Hu Hanguang
Published: May 2018

An increased incidence of gastrointestinal neuroendocrine neoplasms (GI‐NENs) has been reported worldwide, and metastasis is the leading cause of GI‐NEN‐related death. Studies of different metastatic patterns in patients with different primary sites are limited. A population‐based retrospective cohort study was conducted with the Surveillance, Epidemiology, and End Results (SEER) database. Patients with a GI‐NEN diagnosis between 2010 and 2014 were included. All statistical analyses were performed using Intercooled Stata 12.0 software. There were 12,501 patients eligible for analysis. The metastatic status, primary sites, and histology types affected the patients’ overall survival. The liver was the most common metastasis site (65.21% of patients with metastases). Esophageal NENs had the highest risk of metastasis (49.35%), whereas appendiceal NENs had the lowest risk of metastasis (2.79%). Neuroendocrine carcinomas (NECs) were more likely to develop metastatic disease than were neuroendocrine tumors (NETs); 7.12% of patients with NET and 30.20% of patients with NEC developed metastatic disease. The metastatic patterns varied according to the different primary sites and histology types. NECs had a higher potential to develop extrahepatic metastasis at all primary sites than did NETs. Regarding the choice of treatment, surgical resection of primary lesions lowered the risk of tumor‐specific death (HR = 0.37, CI: 0.30–0.46, P < 0.01), but surgical resection of metastatic sites did not confer an extra survival benefit (HR = 0.82, CI: 0.63–1.06, P = 0.14). Different primary sites and histology types of GI‐NENs have different metastatic patterns and survival. This knowledge could help clinicians to identify patients who require extra surveillance, provide insight for future studies on the mechanisms of metastasis, and establish a prognostic prediction model.
Disparities in breast cancer: a multi‐institutional comparative analysis focusing on American Hispanics
Authors: Nahleh Zeina , Otoukesh Salman , Mirshahidi Hamid Reza , Nguyen Anthony Loc , Nagaraj Gayathri , Botrus Gehan , Badri Nabeel , Diab Nabih , Alvarado Andres , Sanchez Luis A. , Dwivedi Alok K.
Published: May 2018

Breast cancer (BC) is the leading cause of cancer death in Hispanic/Latino women nationwide. Hispanic women are more likely to be presented with advanced disease and adverse prognosis subtypes. The aim of this study is to describe the clinico‐ pathological characteristics and disparities in breast cancer in this group at two tertiary care University‐based medical centers. After IRB approval, Cancer registry was used to analyze the variables of 3441 patients with breast cancer diagnosed and treated consecutively at two large tertiary University based medical and cancer center database centers in El Paso, TX and Loma Linda, CA between 2005 and 2015. Association between race/ethnicity and cancer type, stage, hormone receptor status and treatment option were investigated. Overall 45.5% of the patients were Hispanic (n: 1566) and those were more likely to be diagnosed at a younger age (57 years) similar to African Americans, more likely to have invasive ductal carcinoma type (82.7%) & triple negative disease (17.1%, 95%CI: 15% to 19%). 58.8% of Hispanics (95%CI: 56% to 61%) have hormone receptor (HR)+ & HER2− as opposed to 71% in non‐Hispanic White people. In addition, Hispanic individuals presented with advanced stages of BC (25.3%, 95% CI: 23% to 28%) similar to African American (25.4%), and had a lower proportion of lumpectomy (50%) similar to African American (50%). When compared to African American patients, Hispanic patients had a higher prevalence of triple negative BC (17.11% in Hispanics Versus 13.86% in African American). Conclusion: Hispanics had significantly higher relative risk of advanced stages at presentation (Relative Risk Ratio (RRR) = 2.05, P < 0.001), triple negative tumors (RRR = 2.64, P < 0.0001), HER2 + /HR ‐ disease (RRR = 1.77, P < 0.0001), and less HR+ /HER2− BC (RRR = 0.69, P < 0.0001). Hispanics and African Americans are diagnosed with breast cancer at a younger age, have a higher prevalence of Triple negative breast cancer, and are diagnosed at more advanced stages of disease. Increasing awareness and targeting minority populations for health promotion interventions, screening and early detection continue to be of paramount importance to reduce the burden of health disparities.
An Integrated Design with new Metal‐Functionalized Covalent Organic Frameworks for the Effective Electroreduction of CO2
Authors: Yao Cang‐Lang , Li Jian‐Chen , Gao Wang , Jiang Qing
Published: May 2018

One of the long‐standing issues that prohibits large‐scale CO2 reutilization is the low aqueous solubility of CO2 and the incurring inefficient mass transport of CO2. Herein, we suggest a feasible way to promote the CO2 reutilization by integrating the storage and reduction, with a new covalent organic framework (COF) series constituted by cobalt‐phthalocyanine and boronic acid linkers. We find that the porous structure of the cobalt COF is competitive in the CO2 storage and can sustain a high CO2 concentration around the reduction center, whereas the mass transport of CO2 as well as the efficiency of the CO2 reduction is significantly improved. The predicted cobalt COF exhibits an overpotential of 0.27 V and a CO production rate, which is 97.7 times higher than in aqueous solution, for the CO2 reduction. Our work provides a promising candidate for the CO2 reutilization, with valuable insights and an important prototype for future practical design.
Functional Assemblies Emerging in Complex Mixtures of Peptides and Nucleic Acid–Peptide Chimeras
Authors: Chotera Agata , Sadihov Hava , Cohen‐Luria Rivka , Monnard Pierre‐Alain , Ashkenasy Gonen
Published: May 2018

Striking synergy between nucleic acids and proteins is exhibited in living cells. Whether such mutual activity can be performed using simple supramolecular nucleic acid–peptide (NA‐pep) architectures remains a mystery. To shed light on this question, we studied the emergence of a primitive synergy in assemblies of short DNA‐peptide chimeras. Specifically, we characterized multiple structures forming along gradual mixing trajectory, in which a peptide solution was seeded with increasing amounts of NA‐pep chimeras. We report on the systematic change from β‐sheet‐peptide‐based fibrillar architectures into the spherical structures formed by the conjugates. Remarkably, we find that through forming onion‐like structures, the conjugates exhibit increased DNA hybridization stability and bind small molecules more efficiently than the peptides or DNA alone. A brief discussion highlights the implications of our findings for the production of new materials and for research on the origin of life.
Synthesis of Polyfunctionalized Triaryllanthanum Reagents by Using Ph3La and Related Species as Exchange Reagents
Authors: Benischke Andreas D. , Anthore‐Dalion Lucile , Kohl Fabien , Knochel Paul
Published: May 2018

Ph3La⋅5 LiCl and the related (m‐xylyl)3La⋅5 LiCl were used as Hal/La exchange reagents (Hal=Br, I) for the preparation of various triaryl‐ and triheteroaryl‐lanthanum derivatives. These new exchange reagents are compatible with isoquinolines and some functional groups such as a nitrile or an ester. The reactivity of the resulting lanthanum compounds towards electrophiles, such as ketones, aldehydes, N,N‐dimethylamides, and primary alkyl halides was investigated. Additionally, a Pd‐catalyzed cross‐coupling procedure with aryl bromides was developed.
Weinreb Amide Directed Versatile C−H Bond Functionalization under (η5‐Pentamethylcyclopentadienyl)cobalt(III) Catalysis
Authors: Kawai Kentaro , Bunno Youka , Yoshino Tatsuhiko , Matsunaga Shigeki
Published: May 2018

The (η5‐pentamethylcyclopentadienyl)cobalt(III) (Cp*CoIII)‐catalyzed C−H bond functionalization of aromatic, heteroaromatic, and α,β‐unsaturated Weinreb amides was explored. C−H allylation reactions with the use of allyl carbonate and a perfluoroalkene, oxidative alkenylation reactions with the use of ethyl acrylate, iodination reactions with the use of N‐iodosuccinimide, and amidation reactions with the use of dioxazolones were catalyzed by Cp*Co(CO)I2 in the presence of a cationic Ag salt and AgOAc to afford various synthetically useful building blocks. Mechanistic studies of the C−H allylation disclosed that the C−H activation step was rate determining and virtually irreversible.
Co‐Crystals of 2‐Amino‐5‐Nitropyridine Barbital with Extreme Birefringence and Large Second Harmonic Generation Effect
Authors: Gryl Marlena , Seidler Tomasz , Wojnarska Joanna , Stadnicka Katarzyna , Matulková Irena , Němec Ivan , Němec Petr
Published: May 2018

Technological innovation enforces a revolutionized approach towards materials chemistry. In this paper a new methodology towards crystal engineering of polar materials for possible applications in linear or non‐linear optics (NLO), as well as ferroelectric, pyroelectric or piezoelectric crystals is presented. The necessity to fulfil several criteria concerning symmetry, electron properties of the building blocks, and also mechanical and optical stability was achieved by fusion of a pharmaceutical molecule and an NLO‐phore. Co‐crystals of 2‐amino‐5‐nitropyridine barbital, presented in this manuscript, show cutting‐edge optical performance. Large second harmonic generation (SHG) efficiency (40 times better than potassium dihydrogen phosphate, KDP), extreme birefringence (2.7 times higher than for calcite), simplicity in preparation, and optical and mechanical stability of the product proves that in fact a new generation of smart materials was obtained.
Revisiting polarimetry near the isotropic point of an optically active, non‐enantiomorphous, molecular crystal
Authors: Martin Alexander T. , Tan Melissa , Nichols Shane M. , Timothy Emily , Kahr Bart
Published: May 2018

Accurate polarimetric measurements of the optical activity of crystals along low symmetry directions are facilitated by isotropic points, frequencies where dispersion curves of eigenrays cross and the linear birefringence disappears. We report here the optical properties and structure of achiral, uniaxial (point group D2d) potassium trihydrogen di‐(cis‐4‐cyclohexene‐1,2‐dicarboxylate) dihydrate, whose isotropic point was previously detected (S. A. Kim, C. Grieswatch, H. Küppers, Zeit. Krist. 1993; 208:219–222) and exploited for a singular measurement of optical activity normal to the optic axis. The crystal structure associated with the aforementioned study was never published. We report it here, confirming the space group assignment I
c2, along with the frequency dependence of the fundamental optical properties and the constitutive tensors by fitting optical dispersion relations to measured Mueller matrix spectra. k‐Space maps of circular birefringence and of the Mueller matrix near the isotropic wavelength are measured and simulated. The signs of optical rotation are correlated with the absolute crystallographic directions.
Isotope chirality in long‐armed multifunctional organosilicon (“Cephalopod”) molecules
Authors: Barabás Béla , Kurdi Róbert , Zucchi Claudia , Pályi Gyula
Published: May 2018

Long‐armed multifunctional organosilicon molecules display self‐replicating and self‐perfecting behavior in asymmetric autocatalysis (Soai reaction). Two representatives of this class were studied by statistical methods aiming at determination of probabilities of natural abundance chiral isotopomers.

The results, reported here, show an astonishing richness of possibilities of the formation of chiral isotopically substituted derivatives. This feature could serve as a model for the evolution of biological chirality in prebiotic and early biotic stereochemistry.
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA‐Biliverdin IXɑ Complex
Authors: Iijima Eri , Gleeson M. Paul , Unno Masaki , Mori Seiji
Published: May 2018

Herein we report quantum mechanical/molecular mechanical (QM/MM) studies to investigate the most probable protonation states of active site amino acids and bound substrate based on a recently reported neutron diffraction structure of phycocyanobilin:ferredoxin oxidoreductase (PcyA) by Unno et al. This structure was considered to be bound in its initial state of biliverdin IXɑ (BV), which has the C‐pyrrole ring in the deprotonated state. The protonation state of BV suggested by neutron and spectroscopic studies is a stable, two‐electron reduced complex with a bound hydronium ion. Several ambiguities in the neutron structure were observed which prompted a further theoretical analysis of the structure. This structural investigation provides new understanding of the PcyA and BV protonation states not previously reported in the literature. Our calculations suggest that the hydronium ion (H3O+) is energetically unfavorable, preferentially protonating the neighboring His88 residue and that the C‐ring of BV is not protonated.
The Orientation of Silver Surfaces Drives the Reactivity and the Selectivity in Homo‐Coupling Reactions
Authors: Kalashnyk Nataliya , Salomon Eric , Mun Sung Hwan , Jung Jaehoon , Giovanelli Luca , Angot Thierry , Dumur Frédéric , Gigmes Didier , Clair Sylvain
Published: May 2018

Original reaction pathways can be explored in the on‐surface synthesis approach where small aromatic precursors are confined to the surface of single crystal metals. The bis‐indanedione molecule reacted with itself on silver surfaces in different ways, through a Knoevenagel reaction or an oxidative coupling, leading to the formation of a variety of new molecular compounds and covalently‐linked 1D or 2D networks. Noteworthy, original reaction products were obtained that cannot be synthesized in traditional solvent‐based chemistry. The lowest activation temperature for the homo‐coupling reactions was found on the Ag(111) surface. The Ag(110) was highly selective in terms of coupling reaction type, while on Ag(100) the temperature could finely control the selectivity. The on‐surface synthesis approach is shown here to be particularly efficient to produce original compounds in mild conditions, using activation temperatures as low as 200 °C. The different structures were characterized by scanning tunnelling microscopy (STM) together with X‐ray photoelectron emission spectroscopy (XPS) and high‐resolution electron energy loss spectroscopy (HREELS).
Defect Induced Ferromagnetism in Zn/ZnO Interfaces
Authors: Dhingra Mansi , Gupta Rekha , Annapoorni S.
Published: May 2018

Zn/ZnO interfaces are prepared by thermal evaporation technique. X‐ray diffraction (XRD) and photoluminescence (PL) show the coexistence of both the Zn and ZnO phases which on heat treatment get converted to ZnO. Surface morphologies of the samples are studied using scanning electron microscopy (SEM). It clearly shows formation of granular morphology in pristine sample which gets converted to needle like structures on heating at 500 °C. Magnetic measurements largely hints at the presence of excess Zn in Zn/ZnO interfaces resulting in a ferromagnetic behavior which gradually gets converted to a paramagnetic state on annealing revealing a complete transformation to ZnO. Zinc interstitials lying just below the conduction band forms an impurity state indicates a correlation with magnetic behavior.
Opacity calculations in X and XUV range using a detailed atomic code
Authors: Poirier M.
Published: May 2018

Calculations of accurate opacities in X and XUV range are of high interest for several domains such as astrophysics or inertial fusion science. Such quantities may be investigated through laser‐plasma interaction in the indirect‐drive scheme. In this work absorption properties of such plasmas are analysed using the Flexible Atomic Code. Detailed and unresolved‐transition‐array modes are investigated, and some results obtained with the mixed mode recently developed are also proposed. For a carbon plasma the present approach agrees with the results obtained with the superconfiguration code SCO. Some results are provided about the X‐ray opacity of nickel, and a comparison with data from a recent campaign on LULI 2000 facility is done. This comparison demonstrates that the Unresolved Transition Array approach may be insufficient, e.g., to determinate the accurate position and shape of the 2p–3d structure in nickel at about 25 eV. The case of non‐electric‐dipole‐type transitions, such as magnetic dipole transitions is addressed. The electric‐dipole and magnetic‐dipole transitions are studied here in the case of the 3 * n complex of five tungsten ions, with charge states similar to those found in the tokamak divertors. It is demonstrated that the unresolved transition array formulas provide a fairly accurate description of the most important absorption structures, but fail to reproduce correctly the behavior of the opacity in the wings of these main structures.
A survey on packet size optimization for terrestrial, underwater, underground, and body area sensor networks
Authors: Yigit Melike , Yildiz H. Ugur , Kurt Sinan , Tavli Bulent , Gungor V. Cagri
Published: May 2018

Packet size optimization is a critical issue in wireless sensor networks (WSNs) for improving many performance metrics (eg, network lifetime, delay, throughput, and reliability). In WSNs, longer packets may experience higher loss rates due to harsh channel conditions. On the other hand, shorter packets may suffer from greater overhead. Hence, the optimal packet size must be chosen to enhance various performance metrics of WSNs. To this end, many approaches have been proposed to determine the optimum packet size in WSNs. In the literature, packet size optimization studies focus on a specific application or deployment environment. However, there is no comprehensive and recent survey paper that categorizes these different approaches. To address this need, in this paper, recent studies and techniques on data packet size optimization for terrestrial WSNs, underwater WSNs, wireless underground sensor networks, and body area sensor networks are reviewed to motivate the research community to further investigate this promising research area. The main objective of this paper is to provide a better understanding of different packet size optimization approaches used in different types of sensor networks and applications as well as introduce open research issues and challenges in this area.
On scalability of physical layer network coding with modulo‐sum mapping overN‐way relay channels
Authors: Khosroazad Somayeh , Abedi Ali , Neda Naaser
Published: May 2018

In this manuscript, fundamental limits of physical layer network coding with modulo‐sum mapping (to avoid of large cardinality), in terms of the number of superimposed signals that still render an acceptable probability of error, are studied. It is expected that (1) for a given bit error rate or throughput, an upper bound on the number of superimposed signals may exist and (2) if a large network is considered as a set of small subnetworks, and the proposed network code is used in each subnetwork, a significant increase in network throughput can be achieved. Answering these questions sheds light on the scalability of multiuser physical layer network coding with bit error rate or throughput constraints. Theoretical calculations, as well as simulation results, indicate the extraction of network coded signal from more than 2 (which is special case known as 2‐way relay channel) superimposed signals can be practical and lucrative.
Giving priority to preclinical pain measures resistant to existing drugs for developing innovative analgesics
Authors: Nagakura Yukinori
Published: May 2018

Preclinical Research & Development

Chronic pain is a major health and socioeconomic burden because of its high prevalence, negative influence on patients’ physical and/or emotional conditions, and huge costs to society. The responses of chronic pain patients to analgesic therapies vary substantially from individual to individual, and no more than a minority of chronic pain patients with various etiologies such as neuropathy and inflammation are, in fact, successfully relieved by existing drugs including opioid analgesics, nonopioid analgesics, antiepileptics, and antidepressants. The large primary unmet medical need would therefore be the patient domain that does not respond well to existing drugs. Accordingly, the expected profile for innovative analgesics would not be efficacy in the responder patient domain, but significant efficacy in patients with existing drug‐resistant chronic pain. Meanwhile, the current gold standard in preclinical pain measures for the screening of analgesic candidates is existing drug‐sensitive pain measures in animal models of chronic pain. Analgesic candidates screened using such preclinical pain measures during the last decades have been far from fulfilling the expected profile for innovative analgesics. Given that it is unlikely that such existing drug‐sensitive pain measures are the best approach to developing innovative analgesics, one of the other approaches would be giving priority to existing drug‐resistant pain measures in preclinical research. This review introduces potentially applicable existing drug‐resistant pain measures published so far and suggests that the use of them would lead to the development of innovative analgesics.
The moderating role of self‐compassion on weight and shape concerns and eating pathology: A longitudinal study
Authors: Stutts Lauren A. , Blomquist Kerstin K.
Published: May 2018

Objective

The present study employed a longitudinal design to examine the moderating role of self‐compassion in the relationship between weight/shape concerns and the outcomes of eating pathology and stress in a diverse college student population.

Method

Participants were 765 students who completed measures of self‐compassion, weight/shape concerns, eating pathology, and stress over their first 2 years of college. We tested whether self‐compassion attenuated the relation between weight/shape concerns at the beginning of college and eating pathology, and stress later in college.

Results

For the first year of college, self‐compassion significantly moderated the relationship of weight/shape concerns and eating pathology. For participants who were low in self‐compassion, there was a stronger relationship between weight/shape concerns and disordered eating; whereas, for individuals high in self‐compassion, there was a weaker relationship between weight/shape concerns and disordered eating. However, these findings did not replicate for the second year of college. Self‐compassion also significantly moderated the relationship between weight/shape concerns and stress for the first year of college, though the relationship was complex and warrants further research.

Discussion

Our findings suggest that high self‐compassion may reduce the likelihood that undergraduate students with weight/shape concerns will engage in disordered eating behavior in the first year of college. They also highlight the influence of self‐compassion on general stress.
Which is more biased: Standardized weather stations or microclimatic sensors?
Authors: Ashcroft Michael B.
Published: May 2018

Linked Article: https://doi.org/10.1002/ece3.3972
SPICE Modeling of Miniature Dual Triode Vacuum Tube for Audio Application
Authors: Oshimo Shiori , Takemoto Kanako , Hamasaki Toshihiko
Published: May 2018

In this paper, we describe novel high precision SPICE modeling for triode vacuum tube, which is attracting attention in electronic musical instruments continuously and recently in the field of audio systems. The advantage of proposed high‐precision modeling is that it is created considering the difference of space charge distribution originated from the difference of electrode distance between triode tube 12AX7 and 12AU7.

It was found that the characteristic of the space charge change appears within the grid voltage range of minus 1 to plus 1 volt with respect to the grid current versus grid voltage Ig‐Vg curve. In this range, thermal electrons are accelerated from the initial velocity condition of the Maxwell distribution. Based on this analysis, the modulation model formula of the perveance value Gs, which is the key factor of the space charge, is obtained. Subsequently, we extended the model formula to the cathode current versus plate voltage Is‐Vp family curves with the grid voltage as a parameter in consideration of the perveance Gs modulation effects. Finally, Ig‐Vp family curve model equation is derived. Comparing the simulation results of the AC characteristics performed using the proposed model equation and the conventional SPICE model equation, the superiority of the new model equation was confirmed.
The enigmatic function of IgD: some answers at last
Authors: Gutzeit Cindy , Chen Kang , Cerutti Andrea
Published: May 2018

IgD emerged soon after IgM at the time of inception of the adaptive immune system. Despite its evolutionary conservation from fish to humans, the specific functions of IgD have only recently begun to be elucidated. Mature B cells undergo alternative mRNA splicing to express IgD and IgM receptors with identical antigenic specificity. The enigma of dual IgD and IgM expression has been tackled by several recent studies showing that IgD helps peripheral accumulation of physiologically autoreactive B cells through its functional unresponsiveness to self‐antigens but prompt readiness against foreign antigens. IgD achieves this balance by attenuating IgM‐mediated anergy while promoting specific responses to multimeric non‐self‐antigens. Additional research has clarified how and why certain mucosal B cells become plasmablasts or plasma cells specializing in IgD secretion. In particular, the microbiota has been shown to play an important role in driving class switch‐mediated replacement of IgM with IgD. Secreted IgD appears to enhance mucosal homeostasis and immune surveillance by “arming” myeloid effector cells such as basophils and mast cells with IgD antibodies reactive against mucosal antigens, including commensal and pathogenic microbes. Here we will review these advances and discuss their implications in humoral immunity in human and mice.
Studies on the Reduction of Dehydroascorbic Acid by Glutathione in the Presence of Aquahydroxocobinamide
Authors: Dereven'kov Ilia A. , Makarov Sergei V. , Bui Thi Thu Thuy , Makarova Anna S. , Koifman Oskar I.
Published: May 2018

This study reports that aquahydroxocobinamide [(H2O)(HO–)Cbi(III)], a nucleotide‐free analogue of cobalamin (vitamin B12; Cbl), is capable of catalyzing the reduction of the two‐electron oxidized form of vitamin C, dehydroascorbic acid (DHA), to ascorbic acid by glutathione (GSH), whereas catalytic quantities of aquacobalamin do not accelerate the reaction. This observation is explained by different reactions taking place with the CoIII‐species of these complexes and GSH: Cbl(III) forms a stable complex with GSH, but Cbi(III) is relatively rapidly reduced to Cbi(II). The reaction of Cbi(II) with DHA in the presence of GSH includes the coordination of GSH onto CoII, the reaction of GS––Cbi(II) with DHA produces GS––Cbi(III) and the ascorbyl radical, which rapidly disproportionates to a mixture of ascorbic and dehydroascorbic acids, and further regeneration of Cbi(II).
Binuclear Copper(I) Compounds with N‐Heterocyclic Thiolate and Diphosphane Ligands: Effects of Thiolate Ligands on Solid‐State Molecular Structures and Luminescence Properties
Authors: Stylidou Vilelmini , Kavaratzi Konstantina , Papazoglou Ioannis , Hatzidimitriou Antonios G. , Papadopoulos Anastasios G. , Angaridis Panagiotis , Aslanidis Paraskevas
Published: May 2018

A series of four photoluminescent binuclear copper(I) compounds bearing phosphorus and sulfur donor atom ligands have been synthesized from reactions of copper(I) halides with the diphosphane dppe [1,2‐bis(diphenylphoshino)ethane] and the anions of three different N‐heterocyclic thiols, namely 5‐methyl‐1,3,4‐thiadiazole‐2‐thiol, 1‐phenyl‐1H‐tetrazole‐5‐thiol and ethyl 2‐thiouracil‐5‐carboxylate. Depending on the nature of the N‐heterocyclic thiol, the resulting compounds adopt two different structural motifs, having either a dppe‐bridged core, that is, [Cu2(κ‐S‐thiolate)2(dppe)2(µ‐dppe)], or a bis(thiolate)‐bridged core, that is, [Cu2(µ‐S‐thiolate)2(dppe)2], with a Cu2(µ‐S)2 cluster‐type core. The stabilization of the latter type of structure is rationalized by the presence of intramolecular hydrogen‐bonding interactions developed between two bridging N‐heterocyclic thiolate ligands positioned at the same side of the Cu2(µ‐S)2 core, which lead to short Cu···Cu interactions (ca. 2.6 Å), as it is evidenced by X‐ray crystallography studies and supported by Density‐Functional Theory (DFT) calculations. All compounds are photoluminescent and, upon UV‐light irradiation, they exhibit emission maxima ranging from about 470 to 510 nm, depending on the structural and geometric characteristics of the complexes. According to DFT calculations, the photoluminescence properties of the dppe‐bridged binuclear compounds originate from excited states having mainly a (M+L)LCT character, which result from [dCuI+π(thiolate)]→π*(phosphane) electronic transitions, while in the case of the thiolate‐bridged, cluster‐like binuclear compound the emitting excited states are also influenced by the short Cu···Cu interactions and appear to have also CC contributions in addition to an MLCT character. Furthermore, in the case of the dppe‐bridged binuclear complexes, the influence of the electronic nature of the thiolate group on the observed emission wavelength is demonstrated.
Dinuclear Vanadium Sulfide Clusters: Synthesis, Redox Behavior, and Magnetic Properties
Authors: Fomenko Iakov S. , Gushchin Artem L. , Nadolinny Vladimir A. , Efimov Nikolay N. , Laricheva Yuliya A. , Sokolov Maxim N.
Published: May 2018

The complex [V2S4(nBu2dtc)4] (1) (dtc = dithiocarbamate) was prepared by a self‐assembly reaction from [VO(nBu2dtc)3] and H2S. 1H, 13C, and 51V NMR spectra indicate the presence in solution of two isomers (centrosymmetric and non‐centrosymmetric) with different relative orientations of the dithiocarbamate chelate rings. Thermogravimetric studies of 1 show that the thermolysis products are VS2 (in He) or VS (in H2). The cyclic voltammogram (CV) in dichloromethane reveals a chemically reversible one‐electron oxidation at +0.61 V followed by an irreversible oxidation at +1.51 V (vs. Ag/AgCl). The redox processes can be attributed to V‐centered oxidation. This interpretation is supported by DFT calculations, indicating the predominantly V–V bonding character of the HOMO in both cases. The removal of one electron from the HOMO causes weakening of the V–V bond in 1+. The mixed‐valence V(IV/V) product of the one‐electron oxidation, [V2S4(nBu2dtc)4](BF4) {[1](BF4)}, was isolated from the reaction with NOBF4 and characterized by elemental analysis, IR spectroscopy, mass spectrometry (ESI‐MS), CV, EPR spectroscopy, and magnetochemistry. The EPR spectrum of [1](BF4) in dichloromethane exhibits a single 15‐line signal arising from the hyperfine interaction between the unpaired electron and two equivalent 51V nuclei with I = 7/2, indicating complete delocalization of the unpaired electron over both metal centers. The magnetic behavior of [1](BF4) confirms the presence of one unpaired electron and the mixed‐valence V(IV/V) oxidation state without any significant magnetic exchange interactions between the paramagnetic complexes.
A Novel Surface‐tethered Analysis Method for Mercury (II) ion Detection via Self‐assembly of Individual Electrochemiluminescence Signal Units
Authors: Liu Yuan , Hu Yunxia , Wang Sui , Guo Zhiyong , Hu Yufang
Published: May 2018

A novel analysis strategy based on the analyte‐induced surface‐tethered (AIST) of electrochemiluminescence (ECL) signal nanoparticles was first proposed for detection of Mercury (II) ion (Hg2+). In this work, luminol@Au‐cysteamine‐thymine (luminol@Au‐Cys‐T) multifunctional nanoarchitecture was designed as ECL signal units in the experimental process. Through a specific T‐Hg2+‐T coordination, luminol@Au‐Cys‐T composites were gravitationally self‐assembled to the electrode surface, which was coated with tris (2‐aminoethyl) amine functionalized graphene oxide@perylene‐3,4,9,10‐tetracarboxylic acid‐thymine (GO@PTCA‐TAEA‐T) complex film. This simple strategy of AIST of signal molecules could amplify the response signal and vastly enhance the sensitivity. Under the optimum condition, the linear relationship of Hg2+ concentration variation from 0.005 nM to 5 nM with a limit of detection (LOD) down to 0.002 nM (S/N=3), which also offered an alternative analytical approach with excellent performance of stability and selectivity. The regression equation was y=−414.52+2305.02 lgC(Hg2+) (pM). This Hg2+ ECL sensor had a good application prospects for the analysis of real samples.
Enhanced production of l‐lactic acid by Lactobacillus thermophilus SRZ50 mutant generated by high‐linear energy transfer heavy ion mutagenesis
Authors: Jiang Ai‐lian , Hu Wei , Li Wen‐jian , Liu Lu , Tian Xue‐jiao , Liu Jing , Wang Shu‐yang , Lu Dong , Chen Ji‐hong
Published: May 2018

The aim of this study was to improve l‐lactic acid production of Lactobacillus thermophilus SRZ50. For this purpose, high efficient heavy‐ion mutagenesis technique was performed using SRZ50 as the original strain. To enhance the screening efficiency for high yield l‐lactic acid producers, a scale‐down from shake flask to microtiter plate was developed. The results showed that 24‐well U‐bottom MTPs could well alternate shake flasks for L. thermophilus cultivation as a scale‐down tool due to its a very good comparability to the shake flasks. Based on this microtiter plate screening method, two high l‐lactic acid productivity mutants, A59 and A69, were successfully screened out, which presented, respectively, 15.8 and 16.2% higher productivities than that of the original strain. Based on fed‐batch fermentation, the A69 mutant can accumulate 114.2 g/L l‐lactic acid at 96 h. Hence, the proposed traditional microbial breeding method with efficient high‐throughput screening assay was proved to be an appropriate strategy to obtain lactic acid‐overproducing strain.
Jmy regulates oligodendrocyte differentiation via modulation of actin cytoskeleton dynamics
Authors: Azevedo Maria M. , Domingues Helena S. , Cordelières Fabrice P. , Sampaio Paula , Seixas Ana I. , Relvas João B.
Published: May 2018

During central nervous system development, oligodendrocytes form structurally and functionally distinct actin‐rich protrusions that contact and wrap around axons to assemble myelin sheaths. Establishment of axonal contact is a limiting step in myelination that relies on the oligodendrocyte's ability to locally coordinate cytoskeletal rearrangements with myelin production, under the control of a transcriptional differentiation program. The molecules that provide fine‐tuning of actin dynamics during oligodendrocyte differentiation and axon ensheathment remain largely unidentified. We performed transcriptomics analysis of soma and protrusion fractions from rat brain oligodendrocyte progenitors and found a subcellular enrichment of mRNAs in newly‐formed protrusions. Approximately 30% of protrusion‐enriched transcripts encode proteins related to cytoskeleton dynamics, including the junction mediating and regulatory protein Jmy, a multifunctional regulator of actin polymerization. Here, we show that expression of Jmy is upregulated during myelination and is required for the assembly of actin filaments and protrusion formation during oligodendrocyte differentiation. Quantitative morphodynamics analysis of live oligodendrocytes showed that differentiation is driven by a stereotypical actin network‐dependent “cellular shaping” program. Disruption of actin dynamics via knockdown of Jmy leads to a program fail resulting in oligodendrocytes that do not acquire an arborized morphology and are less efficient in contacting neurites and forming myelin wraps in co‐cultures with neurons. Our findings provide new mechanistic insight into the relationship between cell shape dynamics and differentiation in development.
Unobtrusive touch‐free interaction on mobile devices in dirty working environments
Authors: Chen Yingjie Victor , Huynh William , McGraw Tim , Qian Zhenyu Cheryl , Hassan Raymond
Published: May 2018

In this work, we propose a new mode of interaction using hand gestures captured by the back camera of a mobile device. Using a simple intuitive two‐finger picking gesture, the user can perform mouse click and drag‐and‐drop operations from the back of the device, which provides an unobstructed touch‐free interaction. This method allows users to operate on a tablet and maintain full awareness of the display, which is especially suitable for certain working environments, such as the machine shop, garage, kitchen, gym, or construction site, where people's hands may be dirty, wet, or in gloves. The speed, accuracy, and error rate of this interaction have been evaluated and compared with the typical touch interaction in an empirical study. The results show that, although this method is not, in general, as efficient and accurate as direct touch, participants still consider it an effective and intuitive method of interacting with mobile devices in environments where direct touch is impractical.