bluuebunny/crossref_metadata_2025 huggingface dataset:
Application of AI technology in interior design
Authors: Chen Zixuan , Wang Xiang
Published: July 2020

AI technology is coming into our life in recent years. Science and technology also changing and improving our interior design. The overall national strength has grown remarkably, and the level of science and technology has reached the world-class level. This paper starts from the combination of AI and home design, multi-angle analysis of the current development and future prospects. According to the bedroom, kitchen, children’s items storage problems to provide solutions. Storage is an important problem for designers, and also a difficult problem for users in their life. However, with the help of AI, it can bring first-class experience for users. This paper will carry out analysis and research from this point.
Design Practice of Ceramic Tea Set Based on Aesthetic Features of Fractal Pattern
Authors: Liu Wenming , Chen Penghui
Published: July 2020

The unique aesthetic characteristics of the fractal pattern are analyzed and discussed, and the aesthetic features of the fractal pattern are used to practice the appearance design and decorative pattern design of the ceramic tea set. Through the practice of product design based on fractal ideas, a set of effective and feasible ideas and methods for applying fractal ideas to product design were explored, which broadened product design ideas and tried new possibilities for product design.
Creative Product Design Based on Dong Culture Creative
Authors: Shuo Yang , Chao Zhang
Published: July 2020

The study of Dong ethnic cultural resources provides the experience basis and method path for the designing and development of cultural and creative products with Dong ethnic-cultural characteristics. In the research, first of all, the Dong culture is mainly taken as the core and the Dong cultural resources are classified. Secondly, it studies the attributes of cultural and creative products and designs and combs the cultural and creative products of Dong nationality. Furthermore, the creative product design model of Dong ethnic culture is constructed, and eye tracking technology is taken as an example to accurately extract the cultural identification characteristics of cultural materials through modern science and technology, and the specific case design is carried out. Through the excavation, arrangement, and induction of Dong ethnic cultural resources, the attributes of cultural and creative products are analyzed, and the design model is constructed to provide ideas for the design of Dong ethnic cultural and creative products, which is conducive to enhancing the value of Dong ethnic culture and cultural and creative products and provides references for the cultural development of other ethnic minorities.
Research on Garment Mass Customization Architecture for Intelligent Manufacturing Cloud
Authors: Zhe Li , Tao Di , Huan Tian
Published: July 2020

The deep integration of Internet, intelligent manufacturing and big data technology has promoted the development of products to be networked, digital, intelligent and personalized. The rapid iteration and differential segmentation of consumer demand has spawned new personalized consumer demand, transforming the traditional manufacturing model into a service-oriented manufacturing model. This paper analyses the large-scale customized operation mode of domestic and foreign clothing custom brands. In view of the transformation of traditional clothing industry, this paper proposes a solution to establish a large-scale custom clothing architecture under the vision of intelligent manufacturing cloud platform technology. This paper uses data mining and cloud computing and other methods to build an “Internet + manufacturing” innovation model with rapid collaboration under the umbrella of big data, and propose an architecture for mass customization of clothing, providing effective solutions and strategy recommendations for the transformation and upgrading of the traditional apparel industry.
The Application Research of Geometric Language in Modern Furniture
Authors: Huang Anlin , Lyu Jianhua , Chen Ming
Published: July 2020

From the perspective of modern furniture innovative design, this paper analyzes the application extent of geometric language in modern furniture, and provides new design ideas for modern furniture symbolization. By studying the elements of geometric language, such as point, line, surface, color block, shape, through combination, division, superposition, reconstruction and other methods, a variety of symbolic modelling elements are created. Finally, three principles of product symbolic design are summarized, and at the same time, combined with color matching, material selection, man-machine size, using functions, which could be applied into modern furniture design.
On theNeoechinorhynchus agilis(Acanthocephala: Neoechinorhynchidae) complex, with a description ofNeoechinorhynchus ponticusn. sp. fromChelon auratusin the Black Sea
Authors: Amin Omar M. , Sharifdini Meysam , Heckmann Richard A. , Rubtsova Nataliya , Chine Halima Jmii
Published: July 2020

We recognize four species in theNeoechinorhynchus agiliscomplex. We studied specimens ofNeoechinorhynchus(Hebesoma)personatusTkach, Sarabeev & Shvetsova, 2014 fromMugil cephalusin the Mediterranean Sea off Tunisia and in the Black Sea, and also specimens ofNeoechinorhynchus ponticusn. sp. fromChelon auratusRisso in the Black Sea. Specimens fromM. cephalusat both locations were similar. All structures ofN. ponticusn. sp. were considerably smaller than those ofN. personatus. Two other species of theN. agiliscomplex are recognized:Neoechinorhynchus agilis(Rudolphi, 1819)sensu strictofrom various hosts in the Atlantic and the Mediterranean, andNeoechinorhynchus yamagutiiTkach, Sarabeev & Shvetsova, 2014 fromM. cephalusandPlaniliza haematocheilain the Pacific, especially the Sea of Japan.Neoechinorhynchus dimorphospinusAmin & Sey, 1996 from marine fish in the Persian Gulf and the Pacific Ocean off Vietnam may be a candidate for membership in theN. agiliscomplex. X-ray scans of gallium cut and intact hooks ofN. personatusandN. ponticusshowed differences in the mineral content of hooks with higher sulfur levels in smaller hooks and in hooks from specimens in the Black Sea compared to specimens from the Mediterranean. The relatively high genetic differences betweenN. ponticusn. sp. and other species ofNeoechinorhynchususing a partial 18S rDNA dataset support its independent status.Neoechinorhynchus ponticusn. sp. andN. personatushave a common ancestor with species ofNeoechinorhynchuscollected from saltwater fish.
Membranöse Glomerulonephritis
Authors: Stahl Rolf A. K. , Hoxha Elion
Published: July 2020

Die membranöse Glomerulonephritis (MGN) ist die häufigste Ursache eines nephrotischen Syndroms bei Erwachsenen. Die MGN ist eine Autoimmunerkrankung, die durch die Bindung von Antikörpern an Proteine glomerulärer Podozyten entsteht. Die Folge ist das Auftreten einer Proteinurie. Die MGN hat eine Spontanremissionsrate von nahezu 30 %, führt aber gleichzeitig bei weiteren 25 % der Erkrankten zu einem progressiven Nierenfunktionsverlust. Mit der Entdeckung von Autoantikörpern gegen den Phospholipase-A2-Rezeptor 1 (PLA2R1) und Thrombospondin Type 1 Domain Containing 7 A (THSD7A), die in der Entstehung der Erkrankung eine wichtige Rolle spielen, hat sich nicht nur das Verständnis der Pathogenese der MGN, sondern auch die Diagnose und Betreuung der Patienten deutlich verbessert. Autoantikörper gegen den PLA2R1 sind bei ca. 85 % der Patienten mit MGN nachweisbar, während bei 2–3 % der Patienten THSD7A-Antikörper vorhanden sind. Die Messung der Antikörperspiegel und immunhistologische Färbungen der Antigene in Nierenbiopsien ermöglichen eine nahezu 100-prozentige Diagnose einer PLA2R1- oder THSD7A-vermittelten MGN. PLA2R1-Antikörperspiegel sind Prädiktoren für das Ansprechen einer Therapie, bestimmen die Prognose und ermöglichen eine exakte individuelle Steuerung der Therapie. THSD7A-Antikörper sind mit einer erhöhten Inzidenz von Malignomen verbunden und spielen eine pathogenetische Rolle in der Entstehung dieser „sekundären“ Form der MGN. PLA2R1- und THSD7A-Antikörper sind ideale Biomarker bei der Einschätzung des klinischen Verlaufs der MGN und erlauben eine individuelle Betreuung der Patienten. Die Charakterisierung der für die Entstehung der MGN verantwortlichen Antigene und Antikörper ist eine gute Voraussetzung für die Entwicklung neuer, auch kurativer Therapien.
Lupusnephritis
Authors: Oelzner Peter , Amann Kerstin
Published: July 2020

Die Lupusnephritis (LN) als prognosebestimmende Manifestation des systemischen Lupus erythematodes betrifft ca. 50 % der Patienten. Die Nierenbiopsie ermöglicht auf Basis der Klassifikation und der Bestimmung von Aktivitäts- und Chronizitätsindex eine gezielte Therapie und gibt wichtige Informationen zur Prognose. Bei der häufigsten Form der LN, der proliferativen LN, auch in Kombination mit einer membranösen LN, erfolgt eine Remissionsinduktion mit einer intravenösen (i. v.) Low-Dose-Cyclophosphamid-Therapie (6-mal 500 mg) oder mit Mycophenolatmofetil (MMF) kombiniert mit initial hoch dosierten Glukokortikoiden (GK), gefolgt von einer Remissionserhaltung mit Azathioprin oder MMF. Wichtige Therapieziele sind möglichst komplette renale Remission, gekennzeichnet durch den Erhalt einer zumindest annährend normalen Nierenfunktion, und eine weitgehende Reduktion der Proteinurie. Eine komplette Remission wird aktuell nach 2 Jahren bei 40–60 % der Patienten erreicht. Neuere Therapieansätze zielen neben einer verbesserten Effektivität auf eine geringere Toxizität und weitestgehende Reduktion von GK und umfassen den Einsatz von Biologika sowie die Multitarget-Therapie mit konventionellen Immunsuppressiva.
Schulabsentismus – Voraussetzungen einer erfolgreichen
Therapie
Authors: Hilwerling Lorenz , Linnenbank Marie , Flockert Heike , Wedemeyer Marei , Warnking Gerrit , Blanke Jenny , Berlage Paul , Schomberg Daniela , Weglage Josef
Published: July 2020

Einleitung Schulabsentismus (schulvermeidendes Verhalten über
einen längeren Zeitraum) ist ein wachsendes und massives Problem, das
zunehmend auch Kinderärzte als erste Ansprechpartner beschäftigt
und 2–5% aller schulpflichtigen Kinder und Jugendlichen betrifft
[3]. Prognostisch stellt Schulabsentismus ein hohes Risiko für
späteres Schulversagen, Drogenabusus, Arbeitslosigkeit, chronisch
psychiatrische Erkrankung und Delinquenz dar [2, 3, 10]. Für chronische
Schulabsentisten fehlen effektive Behandlungsmöglichkeiten.

Methoden Im Zeitraum 2016–2019 wurden in einer auf
Schulabsentismus spezialisierten psychiatrischen Tagesklinik 67 psychiatrisch
erkrankte Patienten mit Schulabsentismus von 3 Monaten bis 2 Jahren (Median: 8
Monate) im Alter von 7–17 Jahren in einem multimodalen Therapiesetting
behandelt. 93% der Patienten hatten frustrane Psychotherapieversuche im
Vorfeld hinter sich.

Ergebnisse 55 von 67 Patienten (82%) konnten auch 6 Monate nach
Entlassung aus der Tagesklinik einen regelmäßigen Schulbesuch
berichten.

Schlussfolgerungen Entscheidend für den Behandlungserfolg bei
Schulabsentismus ist eine Behandlung „aus einem Guss“. Dazu
gehört 1. eine aufs engste verzahnte intensive psychiatrische Behandlung
der Patienten und -wo nötig- auch der Bezugspersonen (Eltern)
außerhalb und im thematisch spezialisierten schulischen Kontext mit
langfristiger, sektorenübergreifender Begleitung
(Therapeutenkontinuität), 2. ein hocheffizientes Modelllernen im
Kleingruppenkontext ähnlich betroffener Patienten mit (multi-)
familientherapeutischer Einbettung, 3. ein verlässlicher, psychologisch
geschulter Hol- und Bringdienst, der die Patienten notfalls morgens „aus
dem Bett holt“ und 4. eine enge Kooperation mit den Heimatschulen.
Iodine- and TBHP-Promoted Acylation of Benzothiazoles under Metal-Free Conditions
Authors: Ablajan Keyume , Wang Bin , Zhang Qianwei , Guo Zhongqi
Published: July 2020

A simple protocol for the synthesis of 2-acylbenzothiazoles using aryl ketones and benzothiazoles in the presence of I2 and TBHP is described. Acylation of the benzothiazoles is achieved through a sequence involving oxidation of the aryl ketone to an aryl glyoxal, ring-opening of the benzothiazole followed by condensation of the amino group with the aryl glyoxal, cyclization and oxidation. The method avoids the use of metals and toxic solvents. In addition, this protocol has the advantage of broad scope and provides good to excellent product yields.
Planned versus Unplanned Delivery for Placenta Accreta Spectrum
Authors: Fishel Bartal Michal , Papanna Ramesha , Zacharias Nikolaos M. , Soriano-Calderon Neomary , Limas Maria , Blackwell Sean C. , Chen Han-Yang , Chauhan Suneet P. , Sibai Baha M.
Published: July 2020

Objective Women with placenta accreta spectrum (PAS) having an unplanned delivery may have worse outcome compared with women with a planned delivery. The primary objective of this study was to compare severe maternal morbidity among women with PAS who had a planned scheduled delivery versus an unplanned delivery. Secondary objective was to compare neonatal outcomes.

Study Design Retrospective cohort study at two tertiary centers (January 2009 to June 2019) of all women who underwent a hysterectomy with a histologic proven PAS. Primary outcome was severe maternal morbidity which defined as any of the following: transfusion of ≥4 RBC units or ureter/bowel injury. Neonatal outcome was a composite neonatal morbidity defined as any of the following: Apgar score's < 5 at 5 minutes, mechanical ventilation, or respiratory distress syndrome. Maternal demographic, clinical, and sonographic characteristics were compared between the two groups (planned vs. unplanned). Descriptive statistics were used as appropriate, and a statistical significance was established if p-value was < 0.05.

Results Of 109 women who underwent cesarean hysterectomy for PAS, 41 (37.6%) had an unplanned delivery. There was no significant difference in the number of previous cesarean deliveries or ultrasound findings between the two groups. Women with an unplanned delivery were more likely to bleed during pregnancy than those that had a planned delivery (p = 0.04). Women with unplanned delivery had lower gestational age at delivery (30.3 vs. 33.8 weeks, p = 0.001) had a 75% higher rate of the primary outcome (63 vs. 36%, p = 0.007) and had a higher rate of intensive care unit admissions (39 vs. 17.7%, p = 0.01) compared with women with a planned delivery. The neonatal morbidity did not differ between the two groups.

Conclusion Since unplanned cesarean hysterectomy among women with PAS occurs in 40% and is associated with significantly higher morbidity, interventions are needed to mitigate the rate of adverse outcomes.

Key Points
Infant Mortality among Adolescent Mothers in the United States: A 5-Year Analysis of Racial and Ethnic Disparities
Authors: Moore Matthew D. , Brisendine Anne E. , Wingate Martha S.
Published: July 2020

Objective This study was aimed to examine differences in infant mortality outcomes across maternal age subgroups less than 20 years in the United States with a specific focus on racial and ethnic disparities.

Study Design Using National Center for Health Statistics cohort-linked live birth–infant death files (2009-2013) in this cross-sectional study, we calculated descriptive statistics by age (<15, 15–17, and 18–19 years) and racial/ethnic subgroups (non-Hispanic white [NHW], non-Hispanic black [NHB], and Hispanic) for infant, neonatal, and postneonatal mortality. Adjusted odds ratios (aOR) were calculated by race/ethnicity and age. Preterm birth and other maternal characteristics were included as covariates.

Results Disparities were greatest for mothers <15 and NHB mothers. The risk of infant mortality among mothers <15 years compared to 18 to 19 years was higher regardless of race/ethnicity (NHW: aOR = 1.40, 95% confidence interval [CI]: 1.06–1.85; NHB: aOR = 1.28, 95% CI: 1.04–1.56; Hispanic: aOR = 1.36, 95%CI: 1.07–1.74). Compared to NHW mothers, NHB mothers had a consistently higher risk of infant mortality (15–17 years: aOR = 1.12, 95% CI: 1.03–1.21; 18–19 years: aOR = 1.21, 95% CI: 1.15–1.27), while Hispanic mothers had a consistently lower risk (15–17 years: aOR = 0.72, 95% CI: 0.66–0.78; 18–19 years: aOR = 0.74, 95% CI: 0.70–0.78). Adjusting for preterm birth had a greater influence than maternal characteristics on observed group differences in mortality. For neonatal and postneonatal mortality, patterns of disparities based on age and race/ethnicity differed from those of overall infant mortality.

Conclusion Although infants born to younger mothers were at increased risk of mortality, variations by race/ethnicity and timing of death existed. When adjusted for preterm birth, differences in risk across age subgroups declined and, for some racial/ethnic groups, disappeared.

Key Points
The Ionization Constant of Water at Elevated Temperatures and Pressures: New Data from Direct Conductivity Measurements and Revised Formulations from T = 273 K to 674 K and p = 0.1 MPa to 31 MPa
Authors: Arcis Hugues , Ferguson Jane P. , Cox Jenny S. , Tremaine Peter R.
Published: July 2020

Experimental values for the ionization constant of water, pKw,m, from T = 373 K to T = 674 K and from p = 5.75 MPa to p = 31.15 MPa, have been derived from direct measurements of the electrical conductivity of very pure water at the University of Guelph, the University of Delaware, and the Oak Ridge National Laboratory using high-precision high-temperature flow-through AC electrical conductance instruments based on the design by Wood and co-workers [J. Phys. Chem. 99, 11612 (1995)]. The results compare well with published high-temperature potentiometric and calorimetric studies up to 573 K and are consistent with the 1981 and 2006 IAPWS (International Association for the Properties of Water and Steam) pKw,m formulations to within better than 0.1 pK units up to 598 K and to better than 0.2 pK units at 623 K. Above 623 K, the 2006 and 1981 IAPWS formulations showed systematic deviations from the new results, which reached two and five orders of magnitude near the critical point, respectively. Based on these conductivity studies and critically evaluated literature data, revised parameters for the Marshall–Franck and Bandura–Lvov equations of state are reported, which reproduce the experimental data with standard uncertainties u(pK) = 0.018 and u(pK) = 0.016, respectively, over the experimental temperature range at water densities from 1.00 g cm−3 to 0.20 g cm−3, which corresponds to T = 373 K–674 K from psat to p = 31 MPa, and over the range T = 273 K–373 K at p = 100 kPa. These new experimental conductivity results are the most accurate values to be reported under near-critical conditions for densities between 0.50 g cm−3 and 0.20 g cm−3.
Seed-packed dielectric barrier device for plasma agriculture: Understanding its electrical properties through an equivalent electrical model
Authors: Judée F. , Dufour T.
Published: July 2020

Seeds have been packed in a dielectric barrier device where cold atmospheric plasma has been generated to improve their germinative properties. Special attention has been paid on understanding the resulting plasma electrical properties through an equivalent electrical model whose experimental validity has been demonstrated here. In this model, the interelectrode gap is subdivided into four types of elementary domains, according to whether they contain electric charges (or not) and according to their type of medium (gas, seed, or insulator). The model enables us to study the influence of seeds on the plasma electrical properties by measuring and deducing several parameters (charge per filament, gas capacitance, plasma power, etc.) either in a no-bed configuration (i.e., no seed in the reactor) or in a packed-bed configuration (seeds in the reactor). In the second case, we have investigated how seeds can influence the plasma electrical parameters considering six specimens of seeds (bean, radish, coriander, lentil, sunflower, and corn). The influence of molecular oxygen (0–100 sccm) mixed with a continuous flow rate of helium (2 slm) is also investigated, especially through filaments breakdown voltages, charge per filament, and plasma power. It is demonstrated that such bed-packing drives to an increase in the gas capacitance (ξOFF), to a decrease in the β– parameter, and to variations of the filaments’ breakdown voltages in a seed-dependent manner. Finally, we show how the equivalent electrical model can be used to assess the total volume of the contact points and the capacitance of the seeds in the packed-bed configuration, and we demonstrate that germinative effects can be induced by plasma on four of the six agronomical specimens.
Streamwise velocity profile in open-channel flow based on Tsallis relative entropy
Authors: Kumbhakar Manotosh
Published: July 2020

The present study derives the two-dimensional distribution of streamwise flow velocity in open channels using the Tsallis relative entropy, where the probability density function (PDF) based on the principle of maximum entropy (POME) is selected as the prior PDF. Here, we incorporate the moment constraints based on the normalization constraint, hydrodynamic transport of mass, and momentum through a cross section of an open channel for the formulation of the velocity profile. The minimization of the Tsallis relative entropy produces a nonlinear differential equation for velocity, which is solved using a non-perturbation approach along with the Padé approximation technique. We define two new parameters in terms of the Lagrange multipliers and the entropy index for assessing the velocity profile, which are calculated by solving a system of nonlinear equations using an optimization method. For different test cases of the flow in open channels, we consider a selected set of laboratory and river data for validating the proposed model. Besides, a comparison is made between the present model and the existing equation based on the Tsallis entropy. The study concludes that the inclusion of the POME-based prior significantly improves the velocity profile. Overall, the proposed work shows the potential of the Tsallis relative entropy in the context of application to open the channel flow velocity.
Simulation study of excimer VUV emission from xenon microhollow cathode discharge in the self-pulsing regime
Authors: Foroutan Vahid , Foroutan Gholamreza
Published: July 2020

A volume-averaged model is employed to study the dynamics of a microhollow cathode discharge in xenon operating in the self-pulsing regime. The numerical results revealed that the discharge voltage initially increases during the abnormal mode when the discharge current is quite low. Then, the discharge is transferred to a normal mode in which the current shows a steep growth to extremely high values. The results also indicated that the self-pulsing frequency increases with an increase in the input voltage at constant pressure. However, an increase in pressure at a constant input voltage leads to a reduced self-pulsing frequency. The strongest vacuum ultraviolet emission is attributed to xenon triplet excimers at a wavelength of 173 nm. An increase in the input voltage enhances the average densities of the xenon excimers, but has almost no effect on the maximum densities. Compared to the input voltage, an increase of the pressure has a much stronger effect on both the maximum and average densities, such that the maximum density of the triplet excimer is increased from 1.48×1017 m−3 at P = 30 Torr to 2×1021 m−3 at P = 250 Torr. A comparison between the self-pulsing and stationary regimes shows that the maximum densities of the excimers at the self-pulsing regime are an order of magnitude higher than those of the stationary regime. Furthermore, the average densities of the excimers in the self-pulsing regime are higher than those of the stationary regime at higher input voltages. However, the reverse is true for lower voltages.
Effect of thermally annealed atomic-layer-deposited AlOx/chemical tunnel oxide stack layer at the PEDOT:PSS/n-type Si interface to improve its junction quality
Authors: Karim Md Enamul , Nasuno Yuki , Kuddus Abdul , Ukai Tomofumi , Kurosu Shunji , Tokuda Masahide , Fujii Yasuhiko , Hanajiri Tatsuro , Ishikawa Ryo , Ueno Keiji , Shirai Hajime
Published: July 2020

We investigated the effects of thermal annealing on an atomic layer deposition-fabricated AlOx/chemical tunnel oxide (ch-SiOx) stack layer, for passivating and enhancing the field-inversion at the poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS)/n-type crystalline Si (n-Si) interface. Annealing in N2/H2 forming gas at 560 °C for 30 min increased the effective minority carrier lifetime (τeff) of the AlOx/ch-SiOx stack layer to 300–331 μs, which decreased sheet resistance and enhanced the built-in potential and open-circuit voltage in PEDOT:PSS/n-Si heterojunction solar cells to 750 mV and 645 mV, respectively. These improvements originate from the local chemical bond configuration of the tunnel oxide ch-SiOx, which determines the passivation ability and band alignment at the AlOx/n-Si interface.
Faithful digital holographic reconstruction using a sparse sensor array
Authors: Huang Zhengzhong , Cao Liangcai
Published: July 2020

The resolution and accuracy of the reconstruction are greatly limited by the field of hologram (FOH) in digital holography. Multi-apertures sampling in the hologram plane can achieve a large FOH. Sparse sensor aperture array uses the synthetic method to achieve higher spatial resolution than any single aperture, which can be used to a large-size scene imaging. However, accurate reconstruction is substantially degraded when there is a large gap between apertures. As a result, the entire scene could not be recovered from FOH. We present a self-restoration method that restores for gaps between sparse apertures. Constraints based on the object energy distribution and absorption characteristics are applied to extract the object function from existing defective reconstruction with a gap. The lost diffraction order can be reproduced and the original object function can be recovered by the iterations between object and hologram. Our iterative process allows a faithful recovery of the gap information to be extracted from the sub-holograms to achieve full-field imaging. The entire complex-value field that contains both the sampling and gap zones in the detection plane is finally retrieved. This faithful reconstruction using a sparse sensor array provides an effectively enlarged hologram for high-resolution digital holography.
Molecular mechanism of ultrasound interaction with a blood brain barrier model
Authors: Man Viet Hoang , Li Mai Suan , Derreumaux Philippe , Wang Junmei , Nguyen Toan T. , Nangia S. , Nguyen Phuong H.
Published: July 2020

The brain is strictly protected by the blood brain barrier preventing the crossing of therapeutics to treat brain diseases. The high and low intensity focused ultrasound methods have been used to temporarily open the blood brain barrier, facilitating the transport of drugs. The methods are very promising because the opening is transient, localized, and noninvasive. However, the molecular mechanism of the opening is unknown, and this limits the development and application of these methods. With this in mind, we carry out a molecular dynamics simulation study to understand the interaction of ultrasound with the cell membrane and the tight junction. Our minimal blood brain barrier model is composed of two lipid bilayers, mimicking two portions of neighboring cells, connected together by a tight junction formed by a pair of two cis-dimers of the claudin-5 protein. Using an experimental ultrasound frequency of 50 MHz, simulations show that at low intensities, ultrasound does not impact the structure of the cell membranes and tight junction, implying that the direct interaction of ultrasound with the blood brain barrier is not responsible for the experimentally observed opening. At high intensities, the ultrasound pulls the monolayers of individual cell membrane lipid bilayers apart, creating air compartments inside the bilayers. This reduces the free energy barrier for the translocation of drugs across the lipid bilayer and enhances drug permeability. At very high intensities, the two monolayers are largely separated, resulting in cell damage and implying that the blood brain barrier is primarily opened at the experimentally observed damaged areas.
Controllable phase-transition temperature upon strain release in VO2/MgF2 epitaxial films
Authors: Shao Zewei , Wang Lulu , Chang Tianci , Xu Fang , Sun Guangyao , Jin Ping , Cao Xun
Published: July 2020

Metal-to-insulator transition (MIT) behaviors accompanied by a rapidly reversible phase transition in vanadium dioxide (VO2) have gained much attention from researchers. In this research, lattice-mismatched epitaxial films of VO2 (210) on MgF2 (111) substrates exhibited different phase-transition temperatures and developed a phase regulation of misfit dislocations. It reveals an “effective phase-transition regulation” for VO2 films with different thicknesses in certain substrates—MgF2. It is speculated that the dislocation density could progressively increase with the increasing thickness of the film, and the dislocation spacing distribution tends to become narrower. When the thickness of the film is close to a certain thickness, the misfit dislocation density is close to saturation for full relaxation. The misfit dislocation arrangement produces hysteresis loops of different widths upon resistance and transmittance: when the width of the transmittance hysteresis loop is narrow at 3.9 °C, and the resistance hysteresis loop can reach the largest width at 14.0 °C. Further research about the hysteresis with other substrates and the thickness-dependent transition temperature showed that the variance of hysteresis properties during the phase transition can be ascribed to the different strain states along the V–V chains and the change of the hybrid t2g-orbital occupancy. In addition, critical thickness along the growth direction is also discussed, which could be identified by the experimental results. This research provides a comprehensive understanding of the strain effect on phase-transition behaviors and also could be a guidance for some potential applications in optoelectronic devices.
Electron transport properties of NiSi3−xGaxP4 with Ni-3d, P-3p hybridized orbital
Authors: Miyata Masanobu , Fukushima Takumi , Koyano Mikio
Published: July 2020

This study investigates the electron transport properties of mother NiSi3P4 and Ga-substituted NiSi3−xGaxP4 (x = 0.125 and 0.25), both experimentally and theoretically. The experimental solubility limit of NiSi3−xGaxP4 is x ≈ 0.25. For x = 0, the ρ vs T curve shows a −log T dependence below 70 K because the conduction holes are localized by Anderson localization originating from the random potential generated by Ni defects. For Ga-substituted NiSi3−xGaxP4 (x = 0.125 and 0.25), the experimental electrical resistivity ρ, Seebeck coefficient S, and Hall coefficient RH decrease with increasing x. These results indicate that the hole concentration p increases upon Ga substitution. With increasing x, the power factor PF increases dramatically with decreasing ρ0 and increasing hole concentration p due to Ga substitution. For x = 0.25, PF reaches the high value of 0.1 mW−2 m−1 K−1 at 300 K. To calculate the density of states and decompose the E–k relations for x = 0 and 0.125, the degenerate Ni-3d, P-3p hybrid orbital dominates near the top of the valence band. At x = 0.125, the chemical potential is lower than that at x = 0, indicating that hole doping occurs through Ga substitution. The theoretical maximum PF is less than 1.2 mW−2 m−1 K−1 at 300 K, which originates from the degenerate Ni-3d, P-3p hybrid orbital.
Experimental evaluation of shear modulus scaling of dynamic strength at extreme pressures
Authors: Brown J. L. , Prime M. B. , Barton N. R. , Luscher D. J. , Burakovsky L. , Orlikowski D.
Published: July 2020

Recent progress in the development of dynamic strength experimental platforms is allowing for unprecedented insight into the assumptions used to construct constitutive models operating in extreme conditions. In this work, we make a quantitative assessment of how tantalum strength scales with its shear modulus to pressures of hundreds of gigapascals through a cross-platform examination of three dynamic strength experiments. Specifically, we make use of Split–Hopkinson pressure bar and Richtmyer–Meshkov instability experiments to assess the low-pressure strain and strain rate dependence. Concurrent examination of magnetically driven ramp-release experiments up to pressures of 350GPa allows us to examine the pressure dependence. Using a modern description of the shear modulus, validated against both ab initio theory and experimental measurements, we then assess how the experimentally measured pressure dependence scales with shear modulus. We find that the common assumption of scaling strength linearly with the shear modulus is too soft at high pressures and offer discussion as to how descriptions of slip mediated plasticity could result in an alternative scaling that is consistent with the data.
Effects of ZnI2 doping on the performance of methylammonium-free perovskite solar cells
Authors: Yan Lei , Li Zhenchao , Niu Tianqi , Xu Xiang , Xie Shenkun , Dong Guanping , Xue Qifan , Yip Hin-Lap
Published: July 2020

Methylammonium (MA)-free perovskite solar cells (PVSCs) have obtained great attention recently, owing to their superior stability. However, there are still gaps in efficiency between MA-free PVSCs and MA-containing counterparts. Their stability still needs to be further enhanced for meeting commercial standards, especially the illumination stability. Here, we incorporate Zn2+ into perovskite thin films to passivate defects, successfully achieving a champion efficiency of 20.7% and reinforcing the stability of MA-free FA0.9Cs0.1PbI3 PVSCs. This study reveals that Zn-doping can increase the grain size and contribute to modulate the crystallization process. Moreover, it is found that most of the Zn2+ aggregates at the grain boundaries passivating defects and, thus, effectively restrain the non-radiative recombination in the PVSCs. These findings provide a new way of realizing highly efficient and stable PVSCs.
ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field
Authors: Zhang Xiaohua , Sundram Shiv , Oppelstrup Tomas , Kokkila-Schumacher Sara I. L. , Carpenter Timothy S. , Ingólfsson Helgi I. , Streitz Frederick H. , Lightstone Felice C. , Glosli James N.
Published: July 2020

We have implemented the Martini force field within Lawrence Livermore National Laboratory’s molecular dynamics program, ddcMD. The program is extended to a heterogeneous programming model so that it can exploit graphics processing unit (GPU) accelerators. In addition to the Martini force field being ported to the GPU, the entire integration step, including thermostat, barostat, and constraint solver, is ported as well, which speeds up the simulations to 278-fold using one GPU vs one central processing unit (CPU) core. A benchmark study is performed with several test cases, comparing ddcMD and GROMACS Martini simulations. The average performance of ddcMD for a protein–lipid simulation system of 136k particles achieves 1.04 µs/day on one NVIDIA V100 GPU and aggregates 6.19 µs/day on one Summit node with six GPUs. The GPU implementation in ddcMD offloads all computations to the GPU and only requires one CPU core per simulation to manage the inputs and outputs, freeing up remaining CPU resources on the compute node for alternative tasks often required in complex simulation campaigns. The ddcMD code has been made open source and is available on GitHub at https://github.com/LLNL/ddcMD.
Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation
Authors: Tong Zhengqing , Gao Xing , Cheung Margaret S. , Dunietz Barry D. , Geva Eitan , Sun Xiang
Published: July 2020

Charge transfer rate constants were calculated for the carotenoid-porphyrin-C60 (CPC60) molecular triad dissolved in explicit tetrahydrofuran. The calculation was based on mapping the all-atom anharmonic Hamiltonian of this system onto the spin-boson Hamiltonian. The mapping was based on discretizing the spectral density from the time correlation function of the donor–acceptor potential energy gap, as obtained from all-atom molecular dynamics simulations. Different spin-boson Hamiltonians were constructed for each of the possible transitions between the three excited electronic states in two different triad conformations. The rate constants of three possible transitions were calculated via the quantum-mechanically exact Fermi’s golden rule (FGR), as well as a progression of more approximate expressions that lead to the classical Marcus expression. The advantage of the spin-boson approach is that once the mapping is established, the quantum-mechanically exact FGR and the hierarchy of approximations are known in closed form. The classical Marcus charge transfer rate constants obtained with the spin-boson Hamiltonians were found to reproduce those obtained from all-atom simulations with the linearized semiclassical approximation, thereby confirming the equivalence of the two approaches for this system. Within the spin-boson Hamiltonian, we also found that the quantum-mechanically exact FGR rate constants were significantly enhanced compared to the classical Marcus theory rate constants for two out of three transitions in one of the two conformations under consideration. The results confirm that mapping to the spin-boson model can yield accurate predictions for charge transfer rate constants in a system as complex as CPC60 dissolved in tetrahydrofuran.
Effects of lime, phosphorus and stocking rate on an extensively managed permanent pasture: botanical composition and groundcover
Authors: Norton Mark R. , Garden Denys L. , Orchard Beverley A. , Armstrong Philip , Brassil Trent
Published: July 2020

Low phosphorus (P) constrains productivity of many of the permanent pastures of south-eastern Australia where wool and meat production are important. Whereas the need for fertilisation with P is indisputable for many soils, the benefits of liming to ameliorate soil acidification are not always clear in terms of forage production or quality. This experiment, by measuring botanical composition and groundcover over 10 years, aimed to address the issue of forage composition and groundcover. Merino wethers were continuously grazed on a permanent pasture under two stocking rates (low and high) following treatments with three rates of surface-applied lime and two rates of P. The lime rates were: nil, and sufficient to raise the pHCaCl2 of the 0–10 cm soil layer to 5.0 and to 5.5. Phosphorus was added as two rates of single superphosphate: 125 kg ha–1 every 2–3 years, and 250 kg ha–1 every year. Two hypotheses were proposed: (i) as lime application rate increased, it would lead to the pasture swards having a higher percentage of species favourable for grazing animal production, and a higher level of sward groundcover would be maintained; and (ii) legume presence would be favoured by a higher level of applied P over the long term. The Millennium Drought (1997–2008), which coincided with this experiment (1998–2008), tended to mask or reduce lime effects; nevertheless, the higher legume content in the sward, as well as the superior groundcover found in the high lime–high P treatments at various times throughout the experiment and at its completion compared with the nil-lime control, indicated positive forage effects of lime application. Moreover, by the termination of the experiment in 2008, groundcover generally tended to be lower under nil lime than in treatments that had received lime. The higher proportion of legume in the sward was closely linked to greater applied P, although this did not occur at the low stocking rate in the absence of lime. By contrast, similar high P–low stocking rate treatments but with applied lime had the highest clover contents. It is proposed that the poor persistence of the treatment without lime may be due to a combination of poor legume seedset, because of excessive competition from accompanying grasses, and aluminium toxicity adversely affecting legume growth.
Calcium and hydroxyapatite binding site of human vitronectin provides insights to abnormal deposit formation
Authors: Shin Kyungsoo , Kent James E. , Singh Chandan , Fujimoto Lynn M. , Yu Jinghua , Tian Ye , Im Wonpil , Marassi Francesca M.
Published: July 2020

Significance

This study demonstrates that the extracellular protein human vitronectin (Vn) is able to bind both soluble calcium ions and mineralized hydroxyapatite with chemical specificity. The results have important implications for the normal functions of Vn and its role in the formation of plaques associated with age-related macular degeneration, Alzheimer’s disease, atherosclerosis, and other degenerative disorders. The molecular basis for plaque formation in these pathologies is unknown. The present findings shed light on this important process, advance our understanding of the mechanisms of abnormal plaque formation, and introduce a target with potential for developing diagnostic, preventive, or therapeutic approaches.
Early IL-1 receptor blockade in severe inflammatory respiratory failure complicating COVID-19
Authors: Cauchois Raphaël , Koubi Marie , Delarbre David , Manet Cécile , Carvelli Julien , Blasco Valery Benjamin , Jean Rodolphe , Fouche Louis , Bornet Charleric , Pauly Vanessa , Mazodier Karin , Pestre Vincent , Jarrot Pierre-André , Dinarello Charles A. , Kaplanski Gilles
Published: July 2020

Around the tenth day after diagnosis, ∼20% of patients with coronavirus disease 2019 (COVID-19)−associated pneumonia evolve toward severe oxygen dependence (stage 2b) and acute respiratory distress syndrome (stage 3) associated with systemic inflammation often termed a “cytokine storm.” Because interleukin-1 (IL-1) blocks the production of IL-6 and other proinflammatory cytokines, we treated COVID-19 patients early in the disease with the IL-1 receptor antagonist, anakinra. We retrospectively compared 22 patients from three different centers in France with stages 2b and 3 COVID-19−associated pneumonia presenting with acute severe respiratory failure and systemic inflammation who received either standard-of-care treatment alone (10 patients) or combined with intravenous anakinra (12 patients). Treatment started at 300 mg⋅d
−1
for 5 d, then tapered with lower dosing over 3 d. Both populations were comparable for age, comorbidities, clinical stage, and elevated biomarkers of systemic inflammation. All of the patients treated with anakinra improved clinically (
P
< 0.01), with no deaths, significant decreases in oxygen requirements (
P
< 0.05), and more days without invasive mechanical ventilation (
P
< 0.06), compared with the control group. The effect of anakinra was rapid, as judged by significant decrease of fever and C-reactive protein at day 3. A mean total dose of 1,950 mg was infused with no adverse side effects or bacterial infection. We conclude that early blockade of the IL-1 receptor is therapeutic in acute hyperinflammatory respiratory failure in COVID-19 patients.
Mixture of enzyme-processed Panax ginseng and Gastrodia elata extract prevents UVB-induced decrease of procollagen type 1 and increase of MMP-1 and IL-6 in human dermal fibroblasts
Authors: Ngo Hien TT , Hwang Eunson , Seo Seul A , Yang Jung-Eun , Nguyen Quynh TN , Do Nhung Quynh , Yi Tae Hoo
Published: July 2020

According to the previously described anti-photoaging effect of the enzyme-processed Panax ginseng extract and Gastrodia elata extract, we hypothesized that the combination of the two extracts would have superior effect to protect human skin from UVB radiation. Besides, the mixture of active components isolated from herbal extracts, ginsenoside F2, and α-gastrodin was investigated on the photo-protective capability. The expression of aging-related markers including matrix metalloproteinase-1 (MMP-1), interleukin-6 (IL-6), and procollagen type 1 was evaluated using ELISA kits. It was reported that the herbal extract at a Panax ginseng extract to Gastrodia elata extract ratio of 1:10 (w/w) and the compound mixture with equal proportion of ginsenoside F2 and α-gastrodin exhibited significant inhibition of MMP-1 and IL-6 production, and marked upregulation of procollagen type 1 formation. Thus, the combination of either the enzyme-processed herbal extracts or their active components would enhance the properties of prevention and treatment of UVB-induced skin damage.
Mechanism of calcium potentiation of the α7 nicotinic acetylcholine receptor
Authors: Natarajan Kathiresan , Mukhtasimova Nuriya , Corradi Jeremías , Lasala Matías , Bouzat Cecilia , Sine Steven M.
Published: July 2020

The α7 nicotinic acetylcholine receptor (nAChR) is among the most abundant types of nAChR in the brain, yet the ability of nerve-released ACh to activate α7 remains enigmatic. In particular, a major population of α7 resides in extra-synaptic regions where the ACh concentration is reduced, owing to dilution and enzymatic hydrolysis, yet ACh shows low potency in activating α7. Using high-resolution single-channel recording techniques, we show that extracellular calcium is a powerful potentiator of α7 activated by low concentrations of ACh. Potentiation manifests as robust increases in the frequency of channel opening and the average duration of the openings. Molecular dynamics simulations reveal that calcium binds to the periphery of the five ligand binding sites and is framed by a pair of anionic residues from the principal and complementary faces of each site. Mutation of residues identified by simulation prevents calcium from potentiating ACh-elicited channel opening. An anionic residue is conserved at each of the identified positions in all vertebrate species of α7. Thus, calcium associates with a novel structural motif on α7 and is an obligate cofactor in regions of limited ACh concentration.
Super-wetting enabled by an array of SU-8 micro-pillars etched with ion-beam
Authors: Song Yiang , Liu Qing , Wang Zhaolong , Chen Yiqin , Duan Huigao , Cheng Ping
Published: July 2020

The wettability transition of an ion-beam-etched micro-pillar array surface is reported in the present study. The micro-pillar array, made of negative photoresist SU-8, was fabricated by ultraviolet lithography. The results indicate that the combination of the micro-pillar array and ion-beam etching technique can easily regulate surface wettability, which can be changed from hydrophobicity to super-hydrophilicity. Moreover, the super-hydrophilic property of the textured surface can be significantly affected by the etching time and etching energy, because the ion-beam etching could alter the shape and height of the micro-structure as well as the chemical composition of the surface. When a 2 µl water droplet spreads on the etched micro-pillar array surface, the contact angle (CA) decreases to almost 0° within 144 ms, indicating ultrafast spreading of the water droplet on the textured surface. It was found that the CA of the fabricated surface remained the same after two weeks’ exposure in the air, showing undependable wettability stability of the textured surface. The results of the present study can open a gate for potential applications of proposed super-wetting surfaces for micro-fluidics and anti-counterfeiting technologies.