bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimality and duality for nonsmooth semi-infinite mathematical program with equilibrium constraints involving generalized invexity of order σ > 0
Authors: Joshi Bhuwan Chandra
Published: July 2020

In this paper, we derive sufficient condition for global optimality for a nonsmooth semi-infinite mathematical program with equilibrium constraints involving generalized invexity of order σ > 0 assumptions. We formulate the Wolfe and Mond–Weir type dual models for the problem using convexificators. We establish weak, strong and strict converse duality theorems to relate the semi-infinite mathematical program with equilibrium constraints and the dual models in the framework of convexificators.
Multiple Sklerose in Deutschland: aktualisierte Auswertungen des MS-Registers der DMSG 2014–2018
Authors: Flachenecker Peter , Eichstädt Kerstin , Berger Klaus , Ellenberger David , Friede Tim , Haas Judith , Kleinschnitz Christoph , Pöhlau Dieter , Rienhoff Otto , Stahmann Alexander , Zettl Uwe K.
Published: July 2020

Einleitung Unter Federführung der Deutschen Multiple Sklerose Gesellschaft (DMSG), Bundesverband e. V. wurde 2001 ein bundesweites MS-Register initiiert, um epidemiologische Daten zur MS, deren Verlaufsformen und der Versorgungssituation in Deutschland zu erheben. Das Ziel der vorliegenden Auswertung war es, die Daten der letzten Auswertung von vor 10 Jahren zu aktualisieren.

Methodik Zum Stichtag 28. Februar 2018 nahmen 168 Zentren verschiedener Versorgungsbereiche (Universitätskliniken, Akutkliniken, Rehabilitationskliniken und neurologische Praxen) teil. Von 2014 bis 2016 wurde der Wechsel der Dokumentationsplattform zu einem internetbasierten elektronischen Datenerfassungssysstem (EDC) vorgenommen, das eine umfassende Datenerhebung und die Integration verschiedener Dokumentationssysteme erlaubt. Eine Reihe von Qualitätssicherungsmaßnahmen sichert eine valide und representative Datenerhebung. Um eine möglichst aktuelle Beschreibung der Versorgungssituation zu gewährleisten, wurde die Querschnittsanalyse auf Patientendaten der aktuellsten Visite aus den letzten 4 Jahren beschränkt.

Ergebnisse Daten von 18.030 MS-Betroffenen konnten ausgewertet werden. Das mittlere (± Standardabweichung) Alter betrug 46,3 ± 12,2 Jahre, 72 % der Patienten waren weiblich, im Mittel waren die Patienten 10,6 ± 8,7 Jahre erkrankt, der mediane EDSS lag bei 3,0. Die Mehrzahl der Patienten litt an einem schubförmigen Verlauf (74,2 %), 16,1 % hatten einen sekundär und 5,5 % einen primär progredienten Verlauf. Eine Immuntherapie wurde bei 75,2 % durchgeführt, am häufigsten mit Interferonen, gefolgt von Fingolimod, Glatirameracetat, Dimethylfumarat, Natalizumab und Teriflunomid. Symptomatische Therapiemaßnahmen erhielten zwischen 28,3 % (kognitive Störungen) und 86,0 % (Spastik) der Patienten, die an diesen Symptomen litten. Voll berufstätig waren nur noch 37,5 % der Betroffenen; 22,5 % waren vorzeitig berentet. Die berufliche Leistungsfähigkeit war negativ mit dem Alter und dem Behinderungsgrad assoziiert.

Diskussion Die vorliegende Auswertung des deutschen MS-Registers gibt einen aktuellen Überblick zur MS und deren Versorgungssituation in Deutschland. Die Ergebnisse sprechen für einen günstigeren Verlauf der MS im Lauf der letzten 10 Jahre. Während die Mehrzahl der Patienten mit immunmodulatorischen Substanzen therapiert wird, sind nach wie vor einige Symptome der MS wie Fatigue und kognitive Störungen unzureichend behandelt. Zwar hat die Beschäftigungsrate im Vergleich zu früheren Auswertungen zugenommen; dennoch erfordert der hohe Anteil der vorzeitig Berenteten effektive Maßnahmen, um die funktionellen Einschränkungen der Betroffenen zu verringern und ihnen die Teilhabe am gesellschaftlichen und beruflichen Leben möglichst lange zu ermöglichen.
Psychodynamische Psychotherapie der Depression
Authors: Schauenburg Henning
Published: July 2020

Zur Behandlung der Depression eignet sich die psychodynamische Psychotherapie in gleichem Maße wie die kognitive Verhaltenstherapie. Erstere berücksichtigt in besonderem Maße bestimmte Persönlichkeitsmuster der Patienten. Ziel der Therapie ist die Verbesserung der sozialen Kompetenz und die Entlastung von neurotischer Selbstanforderung bzw. -entwertung. Dabei ist die Balance wichtig zwischen Bindungswunsch und frei gewählter Autonomie.
Origins, Development, Current Challenges and Future Directions with Activated Prothrombin Complex Concentrate for the Treatment of Patients with Congenital Haemophilia with Inhibitors
Authors: Brackmann Hans H. , Schramm Wolfgang , Oldenburg Johannes , Cano Viridiana , Turecek Peter L. , Négrier Claude
Published: July 2020

Congenital haemophilia A (HA) is caused by deficiency of coagulation factor VIII (FVIII) activity, leading to spontaneous or traumatic bleeding events. While FVIII replacement therapy can treat and prevent bleeds, approximately 30% of patients with severe HA develop inhibitor antibodies that render FVIII replacement therapy ineffective. The bypassing agents (BPAs), activated prothrombin complex concentrate (aPCC) and recombinant activated FVII, first approved in 1977 and 1996, respectively, act to generate thrombin independent of pathways that involve factors IX and VIII. Both may be used in patients with congenital haemophilia and inhibitors (PwHIs) for the treatment and prevention of acute bleeds and quickly became standard of care. However, individual patients respond differently to different agents. While both agents are approved for on-demand treatment and perioperative management for patients with congenital haemophilia with inhibitors, aPCC is currently the only BPA approved worldwide for prophylaxis in PwHI. Non-factor therapies (NFTs) have a mechanism of action distinct from BPAs and have reported higher efficacy rates as prophylactic regimens. Nonetheless, treatment challenges remain with NFTs, particularly regarding the potential for synergistic action on thrombin generation with concomitant use of other haemostatic agents, such as BPAs, for the treatment of breakthrough bleeds and in perioperative management. Concomitant use of NFTs with other haemostatic agents could increase the risk of adverse events such as thromboembolic events or thrombotic microangiopathy. This review focuses on the origins, development and on-going role of aPCC in the evolving treatment landscape in the management of PwHI.
Wie wirkt sich die Corona-Pandemie auf Angst- und Zwangsstörungen aus?
Authors: Stöcker Margarete
Published: July 2020

Bei Menschen, die schon vor dem Ausbruch der Corona-Pandemie an einer Angst- oder Zwangsstörung erkrankt sind, kann das Thema Sars-CoV-2 die Symptome verschlimmern: Sie verlassen aus Angst vor einer Ansteckung ihre Wohnung nicht mehr oder waschen sich zwanghaft die Hände. Unsere Autorin erklärt die unterschiedlichen Krankheitsbilder und Therapieansätze und veranschaulicht diese anhand eines Fallbeispiels.
Sterben in Zeiten von Corona
Authors: Teufel Rainer
Published: July 2020

Über den Dienst auf einer Palliativstation am Osterwochenende 2020 berichtet unser Autor.
Interactional Response During Infants’ Aquatic
Sessions
Authors: Martins Marta , Costa Aldo , Costa Mario J. , Marinho Daniel A , Barbosa Tiago M.
Published: July 2020

The aim of study was to assess infants’ behaviour during routine swimming
sessions using a naturalistic observation method. The study sample included 14
infants (13.7±7.5 months old) with previous aquatic experience. The
frequency of occurrences per unit of time (session) in the different dimensions
– infant’s motor behaviour and social-affective interaction
– was registered over the course of two sessions by two independent
experts. The behaviours most frequently observed were accompanied displacement
(61.1%) and interaction with others (41.6%). Submersions or
jumps represented only 8.4% of the session. Implementing a child-centred
methodology leads to positive behaviours during this type of sessions,
contributing to the child’s healthy development.
Unacylated Ghrelin Regulates Glucose-Sensitive Neurons Activity and
Glycolipid Metabolism via Orexin-A Neurons in the Lateral Hypothalamic
Area
Authors: Su Manqing , Yan Meixing , Yao Jiatong , Fang Yanpeng , Jin Hong , Gong Yanling
Published: July 2020

The objective of the study was to investigate the regulatory actions of
unacylated ghrelin (UAG) on glucose-sensitive (GS) neurons and glycolipid
metabolism in the lateral hypothalamus area (LHA) and its involvement with
orexin-A-immunopositive neurons. The effects of UAG administered into the
LHA on GS neurons discharges and glycolipid metabolism were detected by
single neuron discharge recording, biochemical index analysis and
quantitative real-time PCR; the level of c-fos protein in
orexin-A-immunopositive neurons was observed using immunofluorescence
staining. UAG microinjected into the LHA activated glucose-inhibited
neurons, which were partially blocked by pre-administration of anti-orexin-A
antibody in the LHA. Furthermore, UAG microinjected into the LHA
significantly reduced serum triglycerides (TG), total cholesterol,
low-density lipoprotein cholesterol, blood glucose, insulin and hepatic TG
levels, while elevated serum high-density lipoprotein cholesterol levels.
UAG elevated the mRNA expression of carnitine palmitoyltransferase-1 and
reduced the mRNA expression of acetyl-CoA carboxylase-1 in the liver. The
above-mentioned effects of UAG were partially blocked by pre-administration
of anti-orexin-A antibody. The expressions of orexin-A and c-fos were
observed in the LHA. After UAG injection into the LHA, some neurons showed
double labeling, and the percentage of double-labeled orexin-A/c-fos
neurons in orexin-A-immunopositive neurons increased significantly. UAG in
the LHA regulates glycolipid metabolism by activating
orexin-A-immunopositive neurons in the LHA.
Synthesis of Benzo-Fused 11H-Pyrido[2,1-b]quinazolin-11-ones by a Buchwald–Hartwig Coupling/Pyridine Dearomatization Sequence in Eucalyptol
Authors: Berteina-Raboin Sabine , Campos Joana F. , Pacheco-Benichou Alexandra , Fruit Corinne , Besson Thierry
Published: July 2020

The synthesis of a new library of polyheterocyclic 11H-pyrido[2,1-b]quinazolin-11-one derivatives was investigated. Satisfactory conditions were obtained via sequential C–N Buchwald–Hartwig coupling and pyridine dearomatization. In this work, traditional solvents were replaced by the bio-sourced eucalyptol, confirming the interest in it as a green solvent in chemistry.
Effect of Nasal Skin Type on Skin Problems following Rhinoplasty
Authors: Erdur Zulkuf B. , Öktem Fatih , İnci Ender , Yener Haydar M. , Gözen Emine D. , Birben Aslıhan Ö. , Bayazit Samet , Engin Burhan
Published: July 2020

Skin problems following rhinoplasty may cause dissatisfaction concerning the esthetic expectations of the patients. This study was conducted to determine whether nasal skin type has an effect on skin problems after rhinoplasty. Thirty-five patients undergoing rhinoplasty in our tertiary referral center between May 2018 and August 2019 were included in the study. The nasal skin sebum level was measured with Sebumeter preoperatively and patients were divided into two groups according to the median sebum level. Among the 35 patients, half of them with higher nasal skin sebum were categorized as oily skin group (n = 17; 14 males, 3 females; mean sebum level: 200.3 ± 26.9), and the other half were categorized as dry skin group (n = 18; 10 males, 8 females; mean sebum level: 101.9 ± 38). Periorbital edema and ecchymosis were assessed at postoperative days 1, 3, and 7. Acne and seborrhea severity determined with Global Acne Grading System and Seborrheic Dermatitis Area Severity Index the day before operation and postoperative days 7 and 14 and months 1, 3, and 10. Compared with dry skin group, upper eyelid ecchymosis score at postoperative day 7 was statistically higher in oily skin group (p = 0.044). There was no significant difference in upper eyelid edema scores between postoperative days 1 and 3 for oily skin group (p = 0.020). No statistically significant differences were found for acne and seborrhea severity. Nasal skin sebum levels may affect periorbital edema and ecchymosis after the procedure but no significant effect has been observed for acne and seborrhea. Predicting the effect of nasal skin types on these problems may help the surgeon to inform patients more correctly.
Genotype–Phenotype Relationships in a Large French Cohort of Subjects with Inherited Protein C Deficiency
Authors: Alhenc-Gelas Martine , Plu-Bureau Geneviève , Mauge Laetitia , Gandrille Sophie , Présot Isabelle ,   GFHT Study Group on Genetic Thrombophilia
Published: July 2020

Inherited protein C (PC) deficiency caused by mutations in the PROC gene is a well-known risk factor for venous thromboembolism. Few studies have investigated the relationship between PROC genotype and plasma or clinical phenotypes. We addressed this issue in a large retrospective cohort of 1,115 heterozygous carriers of 226 PROC pathogenic or likely pathogenic mutations. Mutations were classified in three categories according to their observed or presumed association with type I, type IIa, or type IIb PC deficiency. The study population comprised 876 carriers of type I category mutations, 55 carriers of type IIa category mutations, and 184 carriers of type IIb category mutations. PC anticoagulant activity significantly influenced risk of first venous thrombosis (p trend < 10−4). No influence of mutation category on risk of whole or unprovoked thrombotic events was observed. Both PC anticoagulant activity and genotype significantly influenced risk of venous thrombosis. Effect of detrimental mutations on plasma phenotype was ambiguous in several carriers, whatever the mutation category. Altogether, our findings confirm that diagnosing PC inherited deficiency based on plasma measurement may be difficult but show that diagnosis can be improved by PROC genotyping.
Antenatal Corticosteroids and Preterm Neonatal Morbidity and Mortality among Women with and without Diabetes in Pregnancy
Authors: Battarbee Ashley N. , Sandoval Grecio , Grobman William A. , Bailit Jennifer L. , Reddy Uma M. , Wapner Ronald J. , Varner Michael W. , Caritis Steve N. , Prasad Mona , Tita Alan T.N. , Saade George R. , Sorokin Yoram , Rouse Dwight J. , Tolosa Jorge E. ,   for the Eunice Kennedy Shriver National Institute of Child Health Human Development Maternal-Fetal Medicine Units (MFMU) Network
Published: July 2020

Objective The objective of this study was to determine whether antenatal corticosteroid exposure has a differential association with preterm neonatal morbidity among women with and without diabetes.

Study Design Secondary analysis of an observational cohort of 115,502 women and their neonates born in 25 U.S. hospitals (2008–2011). Women who delivered at 230/7 to 336/7 weeks' gestation and received antenatal corticosteroids were compared with those who did not receive antenatal corticosteroids. Women with a stillbirth and women who delivered a neonate that was not resuscitated were excluded. The primary outcome was neonatal respiratory distress syndrome or death within 48 hours. Secondary outcomes included composite neonatal morbidity (respiratory distress syndrome, necrotizing enterocolitis, grades 3–4 intraventricular hemorrhage, sepsis, or death) and mechanical ventilation. Multivariable modified Poisson regression was used to estimate the association between antenatal corticosteroid exposure and neonatal outcomes. Maternal diabetes (pregestational and gestational) was evaluated as a potential effect modifier, and sensitivity analyses were conducted to evaluate whether receipt of a partial, single, or multiple course(s) of antenatal corticosteroids influenced results.

Results A total of 4,429 women with 5,259 neonates met inclusion criteria: 3,716 (83.9%) women received antenatal corticosteroids and 713 (16.1%) did not. Of the 510 diabetic women (181 pregestational and 329 gestational), 439 (86.1%) received antenatal corticosteroids. Of the 3,919 nondiabetic women, 3,277 (83.6%) received antenatal corticosteroids. Antenatal corticosteroid exposure was not associated with respiratory distress syndrome or early death (adjusted relative risk [aRR] = 0.94, 95% confidence interval [CI]: 0.85–1.04), composite neonatal morbidity (aRR = 0.98, 95% CI: 0.89–1.07), or mechanical ventilation (aRR = 0.95, 95% CI: 0.86–1.05). There was no significant effect modification of maternal diabetes on the relationship between antenatal corticosteroids and neonatal outcomes (p > 0.05), and outcomes were similar in sensitivity analyses of partial, single, or multiple courses of corticosteroids.

Discussion Antenatal corticosteroid administered to reduce preterm neonatal morbidity does not appear to have a differential association among women with diabetes compared with those without.

Key Points
A four-legged linear ultrasonic motor: Design and experiments
Authors: Niu Ruikun , Zhu Hua , Zhao Chunsheng
Published: July 2020

We designed a four-legged linear ultrasonic motor with a new structure. It uses the in-plane first-order longitudinal vibration mode and the out-of-plane anti-symmetric vibration mode, which are superimposed to produce linear motion. The motor consists of a stator and four groups of eight piezoelectric ceramic sheets. Under the excitation of a two-phase high voltage signal, the out-of-plane bending vibration and in-plane longitudinal vibration are generated in the stator. These vibrations alternately drive the motor through the front two driving feet and the back two driving feet, which leads to an elliptical motion. Thus, the four feet can effectively drive a slider to move in a straight line. An experimental prototype was fabricated with a size of 600 × 160 mm. The experimental results show that with a 200 V driving voltage, the maximum translational speed can reach 135 mm/s and the maximum thrust is 3.6 N. The motor has the advantages of simple structure and high output efficiency, which make it have a good prospect in precision systems and industrial applications.
Categorical perspective on quantization of Poisson algebra
Authors: Gohara Jumpei , Hirota Yuji , Sako Akifumi
Published: July 2020

We propose a generalization of quantization using a categorical approach. For a fixed Poisson algebra, quantization categories are defined as subcategories of the R-module category equipped with the structure of classical limits. We then construct the generalized quantization categories including matrix regularization, strict deformation quantization, prequantization, and Poisson enveloping algebra. It is shown that the categories of strict deformation quantization, prequantization, and matrix regularization with certain conditions are equivalent categories. On the other hand, the categories of Poisson enveloping algebra are not equivalent to the other categories.
Harmonic instability in a quantum cascade laser with Fabry–Perot cavity
Authors: Roy Mithun , Kabir M. Z.
Published: July 2020

A new state of instability called harmonic instability, which is characterized by the appearance of side modes separated by multiple of free spectral range from each other, was discovered in quantum cascade lasers (QCLs) a few years ago. However, a detailed analysis using a model beyond the two-level density-matrix (DM) equations as well as incorporating phenomena such as the detuning of the primary-mode frequency from the line-center frequency and the frequency dependence of the background refractive index, resulting in group velocity dispersion (GVD), has not been performed yet. In this paper, we present a comprehensive analysis of harmonic instability in a QCL with a Fabry–Perot (FP) cavity. Starting from three-level DM equations, which include the resonant tunneling phenomenon and scattering rates between all three states, and then by using Maxwell's equation, we derive a closed-form expression for the gain of the side modes, from which quantities pertinent to instability can be determined. We also take the aforementioned phenomena into account in our theory. By using our theory, we show the way of determining primary-mode detuning from the line center. Furthermore, we study the effects of GVD on instability in detail, showing that the output from an FP QCL demonstrates the characteristic of a frequency-modulated wave up to a certain value of dispersion. Above this value, because of the significant deviation of the side-mode amplitude ratio from unity, the output shows neither frequency-modulated-like nor amplitude-modulated-like behavior.
High mobility large area single crystal III–V thin film templates directly grown on amorphous SiO2 on silicon
Authors: Tao Jun , Sarkar Debarghya , Weng Sizhe , Orvis Thomas , Ahsan Ragib , Kale Salil , Xu Yunpeng , Chae Hyun Uk , Greer Frank , Ravichandran Jayakanth , Sideris Constantine , Kapadia Rehan
Published: July 2020

In this Letter, we report the direct growth of single crystal III–V thin film mesas on amorphous SiO2 on Si using templated liquid phase growth. Unlike previous works, where crystal sizes demonstrated have been less than ∼10 μm, here, we show that by tuning the crystal growth conditions, crystals with dimensions greater than 100 μm and of high electron mobility can be directly grown on oxides. Specifically, InAs-on-oxide with mobilities reaching 5100 cm2/V s at 100 K, and ∼3200 cm2/V s at room temperature has been demonstrated. The excellent electronic performance is due to the single crystallinity of the grown material and creates new avenues for the monolithic direct integration of high-performance materials on non-epitaxial substrates, including silicon, and amorphous substrates, such as glasses and metals.
Protein escape at the ribosomal exit tunnel: Effect of the tunnel shape
Authors: Bui Phuong Thuy , Hoang Trinh Xuan
Published: July 2020

We study the post-translational escape of nascent proteins at the ribosomal exit tunnel with the consideration of a real shape atomistic tunnel based on the Protein Data Bank structure of the large ribosome subunit of archeon Haloarcula marismortui. Molecular dynamics simulations employing the Go-like model for the proteins show that at intermediate and high temperatures, including a presumable physiological temperature, the protein escape process at the atomistic tunnel is quantitatively similar to that at a cylinder tunnel of length L = 72 Å and diameter d = 16 Å. At low temperatures, the atomistic tunnel, however, yields an increased probability of protein trapping inside the tunnel, while the cylinder tunnel does not cause the trapping. All-β proteins tend to escape faster than all-α proteins, but this difference is blurred on increasing the protein’s chain length. A 29-residue zinc-finger domain is shown to be severely trapped inside the tunnel. Most of the single-domain proteins considered, however, can escape efficiently at the physiological temperature with the escape time distribution following the diffusion model proposed in our previous works. An extrapolation of the simulation data to a realistic value of the friction coefficient for amino acids indicates that the escape times of globular proteins are at the sub-millisecond scale. It is argued that this time scale is short enough for the smooth functioning of the ribosome by not allowing nascent proteins to jam the ribosome tunnel.
Structural and mechanical properties of magnesium aluminate nanoceramics under high pressure
Authors: Xu Jianing , Huang Tianlin , Dong Hongliang , Tan Dayong , Feng Zongqiang , Wei Tingcha , Susilo Resta A. , Wang Yanju , Wang Hailun , Yuan Mingzhi , Zhang Lingkong , Wan Shun , Huang Yuanjie , Lu Tiecheng , Chen Yan , Chen Zhiqiang , Chen Bin
Published: July 2020

Nanoceramics may have different structural and physical properties compared to their coarse-grained counterparts. Here, we report the high-pressure study of micro- and nano-crystalline MgAl2O4 in order to examine the effect of particle size on the structural stability. A reversible pressure-induced phase transition (cubic to tetragonal) is observed in MgAl2O4 nanocrystals under non-hydrostatic pressure at room temperature, in contrast to the previously reported structural transition of MgAl2O4 at high pressure and high temperature. It is also found that the compressed MgAl2O4 microcrystals do not fracture further below 60 nm, suggesting a plastic deformation mechanism transition. MgAl2O4 with a grain size above ∼60 nm exhibits normal cracking behaviors, but shows metal-like plastic deformation behaviors below this critical size. It is implied that combined ductility and strength can be achieved in nanoceramic MgAl2O4.
Thermally enhanced hole injection and breakdown in a Schottky-metal/p-GaN/AlGaN/GaN device under forward bias
Authors: Tang Xi , Qiu Ran , Liu Yuhan , Li Baikui
Published: July 2020

In this work, the breakdown characteristics and the electroluminescence (EL) spectra of a Schottky-metal/p-GaN/AlGaN/GaN device under forward bias were investigated at different temperatures. The failure of the metal/p-GaN junction, which was caused by electron transport in the p-type Schottky junction, was identified as the first step in the device breakdown process. The breakdown voltage increased with higher temperatures. Under a forward bias of 8 V, the intensity of the EL emission increased more than two orders of magnitude, while the current increased by a factor of 4 as the temperature increased from 0 °C to 200 °C. This unambiguously demonstrated thermally enhanced hole injection at the Schottky-metal/p-GaN interface. We proposed that more electrons were annihilated by the thermally enhanced hole injection, resulting in the positive temperature dependence of the device breakdown.
Difference in electron mobility at 4H–SiC/SiO2 interfaces with various crystal faces originating from effective-field-dependent scattering
Authors: Hirai Hirohisa , Hatakeyama Tetsuo , Sometani Mitsuru , Okamoto Mitsuo , Harada Shinsuke , Okumura Hajime , Yamaguchi Hiroshi
Published: July 2020

Although the channel resistance is partially reduced by suppressing 4H–SiC/SiO2 interface trapping, interface scattering still presents a problem. To clearly extract the effective-field (Eeff) dependence of the dominant scattering, a body biasing technique was adopted, under the condition that the charge density is constant to fix the screening effect. The electron mobilities were observed to be several fold higher for a-, m-, and 03¯38¯ faces than for Si- and C-faces. This result is primarily due to a magnitude difference in the Eeff-dependent scattering; thus, the difference is emphasized at higher Eeff values. Physical parameters to reproduce the observed mobility were estimated by simulating Coulomb and roughness scattering.
Multivariate discrimination in quantum target detection
Authors: Svihra Peter , Zhang Yingwen , Hockett Paul , Ferrante Steven , Sussman Benjamin , England Duncan , Nomerotski Andrei
Published: July 2020

We describe a simple multivariate technique of likelihood ratios for improved discrimination of signal and background in multi-dimensional quantum target detection. The technique combines two independent variables, time difference and summed energy, of a photon pair from the spontaneous parametric downconversion source into an optimal discriminant. The discriminant performance was studied using experimental data and Monte Carlo modeling with clear improvement shown compared to previous techniques. As novel detectors become available, we expect this type of multivariate analysis to become increasingly important in multi-dimensional quantum optics.
Concentration effect on properties of Pt-NiOx nanocompounds converted from mixed chloroplatinic acid and nickel acetate precursor films using an atmospheric-pressure plasma jet
Authors: Huang Tzu-Ming , Cheng I-Chun , Hsu Cheng-Che , Chen Jian-Zhang
Published: July 2020

A direct current-pulse nitrogen atmospheric-pressure plasma jet (APPJ) is used to convert Pt-NiOx nanocompounds from liquid precursor films consisting of a mixture of chloroplatinic acid and nickel acetate. The Pt-NiOx nanoparticles are well-distributed on the fluorine-doped tin oxide (FTO) glass substrates. X-ray photoelectron spectroscopy results indicate that the reaction product mainly contains metallic Pt and oxidized Ni. Electrochemical impedance spectroscopy and Tafel experiments reveal an improvement in electrochemical catalytic effects. The APPJ-processed Pt-NiOx nanocompounds on FTO glass substrates are used as the counter electrodes (CEs) of dye-sensitized solar cells (DSSCs). J − V curves indicate that DSSCs with 5-s APPJ-processed Pt-NiOx CEs showed significantly improved performance. The sample properties become stable after ∼45 s of APPJ calcination. Precursor solutions with three different mole ratios of chloroplatinic acid and nickel acetate are investigated. With the addition of an adequate amount of oxidized nickel, the transfer charge current density and electrochemical catalytic effects are enhanced.
Light propagation in aperiodic photonic lattices created by synthesized Mathieu–Gauss beams
Authors: Vasiljević Jadranka M. , Zannotti Alessandro , Timotijević Dejan V. , Denz Cornelia , Jović Savić Dragana M.
Published: July 2020

We investigate light propagation in a two-dimensional aperiodic refractive index lattice realized using the interference of multiple Mathieu–Gauss beams. We demonstrate experimentally and numerically that such a lattice effectively hinders linear light expansion and leads to light localization, compared to periodic photonic lattices in a photorefractive crystal. Most promisingly, we show that such an aperiodic lattice supports the nonlinear confinement of light in the form of soliton-like propagation that is robust with respect to changes in a wide range of intensities.
The effect of the sodium content on the structure and the optical properties of thermally poled sodium and niobium borophosphate glasses
Authors: Karam Lara , Adamietz Frédéric , Rodriguez Vincent , Bondu Flavie , Lepicard Antoine , Cardinal Thierry , Fargin Evelyne , Richardson Kathleen , Dussauze Marc
Published: July 2020

Six niobium rich glasses presenting different sodium contents were synthetized. On the basis of complementary infrared and Raman analysis, the influence of the sodium content and its role on the structure of the glasses prior to and following poling was examined. Correlative second harmonic generation (SHG)/Raman microscopy on the poled glasses cross section has shown a co-localization of the SHG signal and the structural variations. It also evidenced similar structural rearrangements whether sodium is removed through poling (230–300 °C) or through the alkali content defined by the starting glass compositions (melted at 1300–1500 °C). The effect of the sodium content on the optical properties, prior to and after thermal poling, is also discussed. It was found that refractive index variations induced by poling (ranging between 10−3 and 3 × 10−2) are mainly the result of a density decrease in the poled region rather than compositional and structural changes. The electro-optic origin of the poling-induced second order nonlinear response is confirmed by the Maker Fringe SHG analysis, and the evolution of χ(2) (2–2.5 pm/V) with the sodium content is discussed based on a selection of parameters influencing either the third order susceptibility [χ(3)] or the internal electric field strength of the poled layer.
Effect of a bidirectional coupling of an LTE arc column to a refractory cathode in atmospheric pressure argon
Authors: Mohsni C. , Baeva M. , Franke St. , Gortschakow S. , Araoud Z. , Charrada K.
Published: July 2020

An appropriate coupling of an arc plasma column in the state of local thermodynamic equilibrium to a refractory cathode necessarily involves the non-equilibrium boundary layer between them. A model has been developed that combines a model of an equilibrium direct current arc plasma in atmospheric pressure argon with the assembly of a cathode made of tungsten and the boundary layer. A bidirectional coupling has been realized that allows us to consider a variable voltage drop across the boundary layer for different positions on the cathode. The results are obtained for arc currents between 10 and 150 A in the cases of both a unidirectional and a bidirectional coupling. The results show differences in the distributions of the temperature and the normal current density on the cathode surface and the radial and axial distributions of the plasma temperature. Comparison with the results of a fully non-equilibrium model of the arc plasma and experimental findings from optical emission spectroscopy shows a fair agreement for currents, where the deviations from equilibrium in the arc column can be ignored. For arc currents beyond 100 A, the arc attachment on the cathode appears in two forms, which differ from each other in the distributions of the temperature and the normal current density on the cathode surface, whereas the values of the total arc voltage are close to each other.
Critical dimension metrology using Raman spectroscopy
Authors: Gawlik Andrzej , Bogdanowicz Janusz , Nuytten Thomas , Charley Anne-Laure , Teugels Lieve , Misiewicz Jan , Vandervorst Wilfried
Published: July 2020

In this paper, we demonstrate the capabilities of Raman spectroscopy for the measurement of the critical dimensions of metallic nanostructures. Using tungsten-based nanogratings, we show that the Raman signal originating from the Si substrate underlying a metallic nanograting is primarily sensitive to the distance between the nanolines, as could be expected for such metallic waveguides. However, surprisingly, when using incident light polarized perpendicular (transverse-magnetic) to the nanolines, the technique becomes strongly sensitive to the width of the lines. Using a simple analytical model, we explain the experimental data quantitatively and show that the very high sensitivity to the width under transverse-magnetic illumination is due to the strong impact of their nanometer variations on the absorption properties of the fundamental transverse-magnetic mode excitable within the nanogratings. This work constitutes an important milestone for the Raman technique to become a routine dimensional metrology tool for nanophotonic and nanoelectronic applications.
Optoelectronic properties of laser-beam-patterned few-layer lateral MoS2 Schottky junctions
Authors: Nagamine Y. , Sato J. , Qian Y. , Inoue T. , Nakamura T. , Maruyama S. , Katsumoto S. , Haruyama J.
Published: July 2020

Atomically thin (or few-layer) two-dimensional transition metal dichalcogenide (TMDC) materials have various unique optoelectronic properties, which bring advantages for application to flexible solar cells and photodetectors, by bandgap engineering via van der Waals hybridization. TMDCs have crystal phase structures, such as the 2H semiconducting phase and the 1T (or 1T′) metallic phase. Recently, we demonstrated the creation of few-atom-layer 1T-metal/2H-semiconductor molybdenum disulphide (MoS2) lateral Schottky junctions by using electron beam (EB) irradiation and revealed their unique optoelectronic properties. However, the 1T phase is metastable, whereas the 1T′ phase is more stable and useful for various applications. Here, we create a few-layer 1T′-metal phase MoS2 by laser beam irradiation, which is a simpler, convenient, and low-cost method compared to EB irradiation. We observe unique optoelectronic features of the few-atom-layer 1T′-metal/2H-semiconductor lateral Schottky junctions in reverse bias voltage regions, such as an effective barrier height of ∼0.15 eV, highly efficient photogeneration ratios (>20%), and high sensitivity to photoirradiation angles without degradation for one month. These properties show great promise for application to highly efficient, flexible, and semitransparent photodetectors and solar cells with long-term reliability.
Probing cooperativity in C–H⋯N and C–H⋯π interactions: Dissociation energies of aniline⋯(CH4)n (n = 1, 2) van der Waals complexes from resonant ionization and velocity mapped ion imaging measurements
Authors: Makuvaza James T. , Loman John L. , Kokkin Damian L. , Reid Scott A.
Published: July 2020

Recent studies of the weakly bound anisole⋯CH4 complex found a dual mode of binding, featuring both C/H⋯π and C/H⋯O noncovalent interactions. In this work, we examine the dissociation energies of related aniline⋯(CH4)n (n = 1, 2) van der Waals clusters, where both C/H⋯π and C/H⋯N interactions are possible. Using a combination of theory and experiments that include mass-selected two-color resonant two-photon ionization spectroscopy, two-color appearance potential (2CAP) measurements, and velocity-mapped ion imaging (VMI), we derive the dissociation energies of both complexes in the ground (S0), excited (S1), and cation radical (D0) states. As the amide group is non-planar in the ground state, the optimized ground state geometry of the aniline⋯CH4 1:1 complex shows two isomers, each with the methane positioned above the aniline ring. The observed redshift of the electronic origin from the aniline monomer is consistent with TDDFT calculations for the more stable isomer, where the methane sits on the same face as the amino hydrogens. The dissociation energies of the 1:1 complex, obtained from 2CAP measurements, are in good agreement with the calculated theoretical values from selected density functional theory methods. VMI data for the 1:1 complex gave a binding energy value overestimated by ∼179 cm−1 when compared to the 2CAP results, indicating that dissociative ionization selectively populates an excited vibrational level of the aniline cation radical. Given that the electron donating ability of aromatic substituents trends as –NH2 > –OCH3 > –CH3, it is noteworthy that the strength of methane binding also trends in this order, as found by experiment (dissociation energies in kJ/mol: 6.6 > 5.8 > 4.5) and predicted by theory (PBE0-D3/def2-QZVPPD, in kJ/mol: 6.9 > 6.0 > 5.0). For the 1:2 complex of aniline and methane, calculations predict that the more stable conformer is the one where the two methane molecules lie on opposite faces of the ring, consistent with the observed redshift of the electronic origin. Unlike the anisole–methane 1:2 complex, which shows an enhanced dissociation energy for the loss of one methane in comparison with the 1:1 complex, here, we find that the energy required to remove one methane from the ground state aniline–methane 1:2 complex is smaller than that of the 1:1 complex, consistent with theoretical expectations.
First-principles calculations of finite temperature electronic structures and transport properties of Heusler alloy Co2MnSi
Authors: Shinya H. , Kou S. , Fukushima T. , Masago A. , Sato K. , Katayama-Yoshida H. , Akai H.
Published: July 2020

In this study, we calculate the temperature-dependent electronic structures and transport properties of the Heusler alloy Co2MnSi on the basis of the Korringa–Kohn–Rostoker Green's function method combined with the coherent potential approximation (CPA). Temperature effects often have a significant influence on the spin-polarization properties of Heusler alloys. To incorporate the contributions of temperature effects, we first consider lattice vibrations and spin fluctuations. Using CPA, we can replace them with random displacements due to local phonons and local magnetic moment disorders, respectively. In the Co2MnSi Heusler alloy, we found that the band structures are smeared by the electron–phonon scattering process and the half-metallic property is eliminated by magnon excitations from the spin-up to spin-down states. Furthermore, we can estimate the electrical resistivity as a function of temperature in the scheme of linear response theory. Including the local phonon disorder, local moment disorder, and Mn–Co antisite disorder in CPA, we can reproduce the temperature-dependent resistivity observed by experiments.
Possessive and non-identity relations in Turkic switch-reference
Authors: Bárány András , Nikolaeva Irina
Published: July 2020

This paper provides an overview of non-canonical patterns of switch-reference involving the converb in-(V)pin selected Turkic languages. This converb is usually described as a same-subject converb, but we show that it can conform toMcKenzie’s (2012)extended definition of “same-subject” as expressing the identity of topic situations, rather than subject referents. In addition to tracking cross-clausal subject identity,-(V)pcan be used when the possessor of the subject of one clause corefers with the subject of another clause and when the events expressed by the two clauses are in a close temporal and/or causal relationship. Based onStirling (1993)andBárány & Nikolaeva (2019), we argue that the role of possessors in Turkic switch-reference is captured by lexically specified conditions licensing the use of-(V)pwhen two subjects are in a possessive relation. Finally, we suggest that both types of non-canonical switch-reference can be seen as ensuring discourse continuity.
Profiling HPV-16–specific T cell responses reveals broad antigen reactivities in oropharyngeal cancer patients
Authors: Bhatt Kunal H. , Neller Michelle A. , Srihari Sriganesh , Crooks Pauline , Lekieffre Lea , Aftab Blake T. , Liu Howard , Smith Corey , Kenny Liz , Porceddu Sandro , Khanna Rajiv
Published: July 2020

Cellular immunotherapeutics targeting the human papillomavirus (HPV)–16 E6 and E7 proteins have achieved limited success in HPV-positive oropharyngeal cancer (OPC). Here we have conducted proteome-wide profiling of HPV-16–specific T cell responses in a cohort of 66 patients with HPV-associated OPC and 22 healthy individuals. Unexpectedly, HPV-specific T cell responses from OPC patients were not constrained to the E6 and E7 antigens; they also recognized E1, E2, E4, E5, and L1 proteins as dominant targets for virus-specific CD8+ and CD4+ T cells. Multivariate analysis incorporating tumor staging, treatment status, and smoking history revealed that treatment status had the most significant impact on HPV-specific CD8+ and CD4+ T cell immunity. Specifically, the breadth and overall strength of HPV-specific T cell responses were significantly higher before the commencement of curative therapy than after therapy. These data provide the first glimpse of the overall human T cell response to HPV in a clinical setting and offer groundbreaking insight into future development of cellular immunotherapies for HPV-associated OPC patients.
Health and economic benefit of China’s greenhouse gas mitigation by 2050
Authors: Xie Yang , Wu Yazhen , Xie Mingjun , Li Baodi , Zhang Hui , Ma Teng , Zhang Yuqiang
Published: July 2020

As the biggest greenhouse gases (GHGs) emitter, China’s climate mitigation has tremendous contributions to the global carbon and air pollutants reductions. This study is trying to extract the co-benefit on air quality, public health and economic costs in China and worldwide from China’s GHGs mitigation policy. We construct two scenarios, with moderate climate mitigation action worldwide, versus more stringent climate mitigation action in China. We use the GAINS model to predict the GHGs and air pollutants emissions in the two scenarios, and a state-of-the-art global chemical transport model to simulate the annual PM2.5 concentrations. We then use IMED|HEL, which is a health assessment model, to estimate the health impacts and economic cost of PM2.5 pollution in each country. Results show China’s mitigation has significant impact on both air quality and health improvement in eastern China and eastern Asia, a little bit impact in the rest of Asia. The improved air quality could avoid 0.37 million premature deaths due to ambient PM2.5 exposure by 2050s globally, with the majority happening in China. We use the willingness to pay method to estimate the economic benefits from the improved air quailty, and find that the reduced ambient PM2.5 concentration could avoid $406 billion and $1206 billion economic costs by 2030s and 2050s globally, with China the largest fraction of 98.5% ($400 billion) and 99.5% ($1200 billion), respectively. The reduced ambient PM2.5 exposure can also avoid 11.3 million cases morbidity globally by 2050s, due to asthma attacks and hospital admissions. Our study shows most of the economic benefits from air quality improvement due to China’s mitigation happens in China, followed by the eastern Asia (such as South Korea and Japan) and the rest of Asia. Health improvement is the main fraction of the potential benefits, such as saving health expenditure, increasing the work time.
Atomic Hartree–Fock limit calculations using Lambda functions
Authors: Hatano Yasuyo , Yamamoto Shigeyoshi
Published: July 2020

Nonrelativistic Hartree–Fock limit calculations are performed for the group 18 atoms using Lambda functions, which are Laguerre-type basis functions (LTFs). Since Lambda functions form a complete orthonormal set for bound states, the total energy approaches the Hartree–Fock limit monotonically upon increasing the number of expansion terms, as determined by the maximum number (N) of the principal quantum number (n) in a set. The convergence behavior of the total energy in relation to the number of expansion terms is investigated. For Rn, N = 116 is required to satisfy the convergence criterion

∣
Δ
E

/

E
∣
<

10

−
15

. Here E is the total energy and ΔE is (E(N−1) − E(N)). Total energies are obtained with 30 significant digits for He, with 14 digits for Ne, Ar, Kr, Xe, and Rn, and with 13 digits for Og. This approach gives −2.86167999561223887877554374002 au as the Hartree–Fock energy of He.
Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
Authors: Krenn Mario , Häse Florian , Nigam AkshatKumar , Friederich Pascal , Aspuru-Guzik Alan
Published: July 2020

The discovery of novel materials and functional molecules can help to solve some of society’s most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering–generally denoted as inverse design–was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model’s internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.
Roles of aryl hydrocarbon receptor in endothelial angiogenic responses†
Authors: Li Yan , Zhou Chi , Lei Wei , Wang Kai , Zheng Jing
Published: July 2020

Aryl hydrocarbon receptor (AhR) is a transcription factor, which can be activated by a plethora of structure-diverse ligands. Historically, AhR is known for its involvements in regulation of metabolism of xenobiotics. However, normal physiological roles of AhR have been defined in other essential biological processes, including vascular growth and function, reproduction, and immunoresponses. In contrast, aberrant expression and activation of the AhR signaling pathway occur in a variety of human diseases, many of which (e.g., preeclampsia, atherosclerosis, and hypertension) could be associated with endothelial dysfunction. Indeed, emerging evidence has shown that either exogenous or endogenous AhR ligands can induce endothelial dysfunction in either an AhR-dependent or AhR-independent manner, possibly reliant on the blood vessel origin (artery and vein) of endothelial cells. Given that the AhR signaling pathway has broad impacts on endothelial and cardiovascular function, AhR ligands, AhR, and their downstream genes could be considered novel therapeutic targets for those endothelial-related diseases. This review will discuss the current knowledge of AhR’s mediation on endothelial function and potential mechanisms underlying these actions with a focus on placental endothelial cells.