bluuebunny/crossref_metadata_2025_split huggingface dataset:
MST resistive wall tearing mode simulations
Authors: Strauss H R , Chapman B E , Hurst N C 
Published: June 2023

Abstract
The Madison Symmetric Torus (MST) is a toroidal device that, when operated as a standard tokamak, does not have major disruptions. Unlike most tokamaks, the MST plasma is surrounded by a close fitting highly conducting wall, with a resistive wall penetration time two orders of magnitude longer than in JET or DIII-D, and three times longer than in ITER. The MST can operate with edge

q
a

⩽
2

, unlike standard tokamaks. Simulations presented here indicate that the MST is unstable to resistive wall tearing modes (RWTMs) and resistive wall modes (RWMs). They could in principle cause disruptions, but the predicted thermal quench (TQ) time is much longer than the experimental pulse time. If the MST TQ time were comparable to measurements in JET and DIII-D, theory and simulations predict that disruptions would have been observed in MST. This is consistent with the modeling herein, predicting that disruptions are caused by RWTMs and RWMs. In the low

q
a

∼
2

regime of MST, the RWTM asymptotically satisfies the RWM dispersion relation. The transition from RWTM to RWM occurs smoothly at

q
a

=
m

/

n

, where

m
,
n

are poloidal and toroidal mode numbers.
Periodic orbits in a near Yang-Mills potential
Authors: Contopoulos G , Harsoula M 
Published: June 2023

Abstract
We study numerically the orbits in the Yang-Mills (YM) potential

V
=

1

2

x

2

y

2

and in the potentials of the general form

V
=

1

2

[
α
(

x

2

+

y

2

)
+

x

2

y

2

]

. We found that the stable period-9 periodic orbit of the YM potential belongs to a family of orbits that bifurcates from a basic period-9 family of the general form of the potential V, when α is slightly above zero. This basic period-9 family and its bifurcations exist only up to a maximum value of

α
=

α

max

. We calculate the Hénon stability index of these orbits. The pattern of the stability diagram is the same for all the symmetric orbits of odd periods 3,5,7,9 and 11, that we have found. We also found the stability diagrams for asymmetric orbits of period 2,3,4,5 which have again the same pattern. All these orbits are unstable for α=0 (YM potential) except for the stable orbits of period-9 and some orbits with multiples of 9 periods.
Demonstration of indirectly driven implosion experiments with cryogenic pure deuterium layered capsules on the Shenguang Laser Facility
Authors: Ge Fengjun , Pu Yudong , Wang Kai , Huang Tianxuan , Sun Chuankui , Qi Xiaobo , Wu Changshu , Gu Jianfa , Chen Zhongjin , Yan Ji , Jiang Wei , Yang Dong , Dong Yunsong , Wang Feng , Zhou Shiyang , Ding Yongkun 
Published: June 2023

Abstract
To achieve ignition in a laboratory via inertial confinement fusion, a spherical capsule containing a frozen layer of deuterium and tritium (DT) fuel will be imploded on an MJ-class laser facility. However, if pure deuterium fuel can be used in place of DT fuel for tuning shots, we may speed up the process of ignition experiments while maintaining the surrogacy by significantly reducing the level of radioactivity. Unfortunately, it has long been assumed that neither the approach of symmetrical infrared irradiation used in the Omega direct-drive experiments nor the method of beta-layering used in the NIF experiments can be used to smooth the D layered capsule in cylindrical hohlraums. The difficulty in smoothing the D ice layer prevents us from taking advantage of cryogenic D-layered capsules in indirect-drive experiments. In this work, we established a procedure to form a uniform D-ice layer for capsules held in cylindrical hohlraums and carried out indirect-drive cryogenic D-layered implosion experiments using a squared laser pulse on the Shenguang Laser Facility in China. The quality of the D ice layer is characterized by phase-contrast imaging. The root-mean-square of the power spectrum in modes 2–100 is about 2.2 μm. The implosion performance of the D-layered capsules is close to the prediction of one-dimensional simulations. The measured neutron yield and areal fuel density are 1.2 × 1011 and 80 mg cm−2, respectively.
Impacts of green rating systems on the economy and society
Authors: Doan Dat Tien , Qin Lang 
Published: June 2023

Abstract
This study examines the impact of green rating systems on the construction industry in sustainable development. Five widely used green rating systems, BREEAM, LEED, Green Star, Green Mark and CASBEE, were examined to identify their effectiveness in promoting sustainable construction practices, specifically in the economic and social aspects. Results revealed that all rating systems offer a comprehensive environmental performance assessment but have varying degrees of success in the rest pillars of sustainability. The rating systems have notably influenced the construction sector, motivating developers and designers to integrate sustainable elements into their structures. The advantages of such rating systems extend beyond singular buildings, benefiting society as well by decreasing environmental harm, advancing the health and well-being of occupants, and stimulating economic progress. Furthermore, the study suggests that construction companies that design and build green-certified buildings have a competitive advantage in the market. Overall, the study highlights the benefits of using green rating systems to promote their wider adoption in the construction industry.
A non-invasive computational method to determine the directionality of skin tension lines
Authors: Roy Ashutosh , Vemaganti Kumar 
Published: June 2023

Abstract
The topography of human skin surface has cutaneous lines or skin tension lines whose orientation depends on factors like age, cosmetic use, environmental conditions, etc. Characterizing the orientation of these lines is of immense importance for the cosmetics industry, medical technology and applications like haptics. In this study we propose a simple method based on the ratio of the correlation length to the root mean square roughness along several profiles to characterize the directionality of these lines. This ratio is then normalized across all the profiles leading to a polar plot that varies between 0 and 1, with the major orientation appearing at a value of 1. Our results show that this non-invasive computational approach can be applied to skin roughness data or image intensities. As a practical application of the approach, we demonstrate its ability to capture changes in skin tension line orientation with age, using roughness data from the literature.
In-vitro experiments on bio-functional calcium phosphate based coatings on titanium dental implant
Authors: Balamurugan P , Selvakumar N 
Published: June 2023

Abstract
Dental implants are a revolution in dentistry, but certain deficiencies still need to be addressed. One of the most severe threats to the success of dental implants is peri-implant infection. Existing coatings on titanium (Ti-6Al-4V) alloy surfaces rapidly lose antibacterial efficacy, reducing their ability to prevent peri-implant infectious disease. The objective of this paper was to investigate the dissolution capabilities and film properties of calcium phosphate (CaP) based layers on a titanium (Ti-6Al-4V) alloy surface produced with the radiofrequency magnetron sputtering method. These coatings have demonstrated good osseointegration capability due to their similarity to bone mineral matter. The bioactive coating materials are calcium phosphate, zinc chloride, and silver nitrate. Microstructural investigations of coated components were assessed using Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Energy Dispersive (EDX) analysis, and Atomic Force Microscopy (AFM). Bacterial adhesion to biomaterials is still a major issue when it comes to medical equipment. Antimicrobial peptides have generated interest due to the rise in antibiotic-resistant bacteria. The fact that there are concerns regarding the development of antibiotic resistance due to the development of traditional antibiotics to prevent illness reflects the complexity of the matter.
The coated titanium samples were inoculated in nutrient broth and incubated at 37 °C for 24 h. The samples were tested against Staphylococcus aureus and Staphylococcus epidermidis for 72 h. A standard row containing between 1 * 105 CFU ml−1 and 1 * 107 CFU ml−1of fresh exponential culture was prepared. The plates were cultured at 37 °C and shaken (100 rpm) while the OD600 was monitored every 30 min. After 24 h, Staphylococcus aureus inhibition was higher than 70% in S4, and Staphylococcus epidermidis inhibition ranged from 60 to 70% in S4. Antimicrobial activity was found in the calcium phosphate coated samples (S4) against gram-positive Staphylococcus epidermidis and Staphylococcus aureus bacteria. The antimicrobial evaluation showed that titanium made with bioactive coating inhibited bacterial growth and biofilm formation.
Effect of precipitates evolution on mechanical properties of Al 7050 alloy during secondary aging
Authors: Zhao Wei , Wang Longxiang , Ren Yonghai , He Bing , Han Senlin , Xu Pingwei , Liang Yu 
Published: June 2023

Abstract
The microstructure and mechanical properties were investigated in Al 7050 alloy after aging treatments. Results showed that refining the η′ precipitates and increasing the proportion of the η′ precipitates significantly improved its mechanical properties. High density dislocations created by cold deformation promoted the nucleation of the main strengthening η′ phase during aging. High-density fine precipitates was created, which increases the yield strength. However, the strength of the deformed sample decreased by ∼31.6% after the secondary aging at 157 °C, with more degradation than other samples. Microstructure study presented that some precipitates were composed of two distinctive areas. An in situ transformation from a simple triclinic Mg2Zn3 to the η phase (MgZn2) was observed during the secondary aging. The loss in strength after secondary aging at 157 °C proved that the η′ precipitates transformed into the η precipitates by absorbing solute atoms at a temperature lower than equilibrium precipitation temperature of η precipitates. The residual high-density dislocations in the cold-deformed samples promoted the diffusion of solute atoms, which accelerated the η′ → η transformation during the secondary aging. Significant reduction in the volume of η′ precipitations led to the rapid deterioration of mechanical properties.
Modification of PVDF membrane for harvesting of Nannochloropsis sp. and its cleaning results
Authors: Romadiansyah Taufik Qodar , Ali Badrut Tamam Ibnu , Lestari Widi Citra , Permatasari Marisa , Ermavitalini Dini , Widiastuti Nurul 
Published: June 2023

Abstract
One of the biggest challenges in implementing microalgae-based biofuels is the effective harvesting process. Filtration membrane has become one of the flexible methods in microalgae harvesting. This study investigated the harvesting of Nannochloropsis sp. using a modified PVDF membrane at various LiCl as an additive with N-methyl-2-pyrrolidone (NMP) solvent. Harvesting of Nannochloropsis sp. with PVDF membrane has never been reported before. The addition of LiCl can improve the performance of PVDF membrane due to LiCl has a great affinity for water, resulted in inducing the formation of the pore structure of membrane. The optimum membrane composition was determined at various LiCl additive from 1% to 3% (w/w). The hydrophilicity of the membrane increased as indicated by the increasing of water permeance, which were 516, 546, 660, and 614 l m−2h−1 bar−1 for neat PVDF, PVDF/LiCl-1, PVDF/LiCl-2, and PVDF/LiCl-3 membrane, respectively. PVDF/LiCl-2 membrane showed the highest water permeance and the highest total average permeance (150 l m−2h−1 bar−1) with 100% rejection of Nannochloropsis sp. harvesting. The membranes was cleaned using sodium hypochlorite, citric acid, and nitric acid. The SEM results showed that the membrane after cleaning appears the algae particles in the membrane pore. Furthermore, algae particles were almost not visible on cleaned membrane. The FTIR results showed an absorption at 3401 cm−1, which was a characteristic of the hydrogen N–H bond, also including a typical amide uptake (C=O) at 1648 cm−1 indicating protein appearance. Moreover, the cleaned membrane did not appear any absorption that indicates the foulant.
Different healing characteristics of thiol-bearing molecules on CVD-grown MoS2
Authors: Feraco Giovanna , Luca Oreste De , Syari’ati Ali , Hameed Sardar , El Yumin Abdurrahman Ali , Ye Jianting , Agostino Raffaele G , Rudolf Petra 
Published: June 2023

Abstract
Vacancies in atomically thin molybdenum disulphide play an essential role in controlling its optical and electronic properties, which are crucial for applications in sensorics, catalysis or electronics. For this reason, defect engineering employing thiol-terminated molecules is used to heal and/or functionalise defective nanosheets. In this work, chemical vapour deposition-grown MoS2 with different defect densities was functionalised with three molecules: 4-aminothiophenol (ATP), biphenyl-4-thiol (BPT) and 4-nitrothiophenol (NTP). The molecules’ efficacy in functionalising MoS2 was probed by x-ray photoelectron, Raman and photoluminescence (PL) spectroscopy. The results show that exposing a defective single layer of MoS2 to either ATP, BPT or NTP molecules heals the defects, however the chemical structure of these molecules affects the optical response and only for BPT the PL intensity increases.
AiiDA-defects: an automated and fully reproducible workflow for the complete characterization of defect chemistry in functional materials
Authors: Muy Sokseiha , Johnston Conrad , Marzari Nicola 
Published: June 2023

Abstract
Functional materials that enable many technological applications in our everyday lives owe their unique properties to defects that are carefully engineered and incorporated into these materials during processing. However, optimizing and characterizing these defects is very challenging in practice, making computational modelling an indispensable complementary tool. We have developed an automated workflow and code to accelerate these calculations (AiiDA-defects), which utilises the AiiDA framework, a robust open-source high-throughput materials informatics infrastructure that provides workflow automation while simultaneously preserving and storing the full data provenance in a relational database that is queryable and traversable. This paper describes the design and implementation details of AiiDA-defects, the models and algorithms used, and demonstrates its use in an application to fully characterize the defect chemistry of the well known solid-state Li-ion conductors LiZnPS4. We anticipate that AiiDA-defects will be useful as a tool for fully automated and reproducible defect calculations, allowing detailed defect chemistry to be obtained in a reliable and high-throughput way, and paving the way toward the generation of defects databases for accelerated materials design and discovery.
Efficacy and Safety of Tapencarium (RZL-012) in Submental Fat Reduction
Authors: Shridharani Sachin M , Dayan Steven , Biesman Brian , Cohen Joel , Downie Jeanine , Jones Derek , Shamban Ava , Fabi Sabrina , Yoelin Steve , Fagien Steven , Ablon Glynis , Gold Michael , Gueta Racheli , Walker Patricia 
Published: June 2023

Abstract

Background
Tapencarium (RZL-012) (5-(3.6-dibromo-9H-carbazol-9-yl)-N, N, N-trimethylpentan-1-aminium chloride) is a novel injectable synthetic molecule with cytolytic properties, capable of reducing subcutaneous fat volume.

Objectives
The goal of this 3-armed, randomized, double-blind, placebo-controlled phase 2b study was to determine the safety and efficacy of low- and high-dose RZL-012 vs placebo on submental fat (SMF) reduction.

Methods
Patients (n = 151, age 18-65 years) with excess SMF received a single treatment session of RZL-012 or placebo in the submental area, after which they were monitored for 84 days. SMF was assessed at baseline and after dosing with newly developed scales, namely the Clinician Chin Assessment Tool (C-CAT) and Subject Chin Assessment Tool (S-CAT). SMF was also assessed by magnetic resonance imaging (MRI) at screening and on Day 84 after treatment.

Results
The proportion of patients who had a 1-grade or 2-grade improvement in C-CAT and/or S-CAT on Day 84 vs baseline was significantly higher in the high-dose RZL-012 group vs the placebo group (P &lt; .002). The relative percentage reduction in MRI-measured SMF volume (Day 84 vs screening) was significantly greater in the high-dose RZL-012 group vs the low-dose RZL-012 or the placebo group (P &lt; .0001). Local injection site reactions were the most common adverse events (AEs).

Conclusions
A single administration of RZL-012 into SMF resulted in significant improvement in submental appearance as assessed by clinicians, patients, and MRI. From a safety perspective, there were no serious AEs and no clinically significant changes in vital signs or laboratory tests over the course of the study.

Level of Evidence: 1
UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales
Authors: Ocetkiewicz Krzysztof M , Czaplewski Cezary , Krawczyk Henryk , Lipska Agnieszka G , Liwo Adam , Proficz Jerzy , Sieradzan Adam K , Czarnul Paweł 
Published: June 2023

Abstract

Summary
The UNited RESisdue (UNRES) package for coarse-grained simulations, which has recently been optimized to treat large protein systems, has been implemented on Graphical Processor Units (GPUs). An over 100-time speed-up of the GPU code (run on an NVIDIA A100) with respect to the sequential code and an 8.5 speed-up with respect to the parallel Open Multi-Processing (OpenMP) code (run on 32 cores of 2 AMD EPYC 7313 Central Processor Units (CPUs)) has been achieved for large proteins (with size over 10 000 residues). Due to the averaging over the fine-grain degrees of freedom, 1 time unit of UNRES simulations is equivalent to about 1000 time units of laboratory time; therefore, millisecond time scale of large protein systems can be reached with the UNRES-GPU code.

Availability and implementation
The source code of UNRES-GPU along with the benchmarks used for tests is available at https://projects.task.gda.pl/eurohpcpl-public/unres.
BBmix: a Bayesian beta-binomial mixture model for accurate genotyping from RNA-sequencing
Authors: Vigorito Elena , Barton Anne , Pitzalis Costantino , Lewis Myles J , Wallace Chris 
Published: June 2023

Abstract

Motivation
While many pipelines have been developed for calling genotypes using RNA-sequencing (RNA-Seq) data, they all have adapted DNA genotype callers that do not model biases specific to RNA-Seq such as allele-specific expression (ASE).

Results
Here, we present Bayesian beta-binomial mixture model (BBmix), a Bayesian beta-binomial mixture model that first learns the expected distribution of read counts for each genotype, and then deploys those learned parameters to call genotypes probabilistically. We benchmarked our model on a wide variety of datasets and showed that our method generally performed better than competitors, mainly due to an increase of up to 1.4% in the accuracy of heterozygous calls, which may have a big impact in reducing false positive rate in applications sensitive to genotyping error such as ASE. Moreover, BBmix can be easily incorporated into standard pipelines for calling genotypes. We further show that parameters are generally transferable within datasets, such that a single learning run of less than 1 h is sufficient to call genotypes in a large number of samples.

Availability and implementation
We implemented BBmix as an R package that is available for free under a GPL-2 licence at https://gitlab.com/evigorito/bbmix and https://cran.r-project.org/package=bbmix with accompanying pipeline at https://gitlab.com/evigorito/bbmix_pipeline.
410 Dupilumab treatment reduces total IgE levels in patients 6 months and older with moderate-to-severe atopic dermatitis
Authors: Siegfried Elaine C , Cork Michael J , Boguniewicz Mark  , Deleuran Mette , Simpson Eric L   , Chen Zhen , Clearfield Drew , Shah Parul , Marco Ainara Rodríguez 
Published: June 2023

Abstract
Atopic dermatitis (AD) is a type 2 inflammatory disease characterized by elevations in several biomarkers including serum IgE—a key downstream mediator in the type 2 adaptive immune response. Patients with moderate-to-severe AD were enrolled for 16 weeks in any of six randomized, placebo-controlled, phase 3 studies: in LIBERTY AD PRESCHOOL, (NCT03346434 part B) patients aged 6 months to 5 years were treated with dupilumab 200/300 mg every 4 weeks (q4w) + topical corticosteroids (TCS; n = 83) or placebo + TCS (n = 79); in LIBERTY AD PEDS (NCT03345914), patients aged 6–11 years were treated with dupilumab + TCS [100/200 mg q2w (n = 122), 300 mg q4w (n = 122)] or placebo + TCS (n = 123); in LIBERTY AD ADOL (NCT03054428), patients aged 12–17 years were treated with dupilumab [200/300 mg q2w (n = 82), 300 mg q4w (n = 83)] or placebo (n = 85); and in LIBERTY AD CHRONOS/SOLO1/SOLO2 (NCT02260986/NCT02277743/NCT02277769, pooled), patients aged ≥18 years were treated with dupilumab [300 mg q2w (n = 563),300 mg qw (n = 781) ] or placebo (n = 775). The TCS were allowed in CHRONOS only. At Week 16, dupilumab treatment significantly (P &lt; 0.0001) reduced median total serum IgE levels [kU/L (IQR)] compared with placebo in patients aged 6 months to 5 years [843 (207–3300) vs. 3625 (540.5–8585)], 6–11 years [1519 (532–3808) vs. 3862 (1166–9999)], 12–17 years [1391 (436–2842) vs. 4569 (800.5–10000)] and ≥18 years [1340 (229–4360) vs. 3722 (555–10000)]. Dupilumab treatment reduced total serum IgE levels in patients aged 6 months and older with moderate-to-severe AD. Overall safety was consistent with the known dupilumab safety profile.
431 Assessment of racial and ethnic differences of atopic dermatitis severity and treatment patterns in a diverse outpatient cohort in the United States
Authors: Sanfilippo Eric , Iyer Sneha , Patel Nisha , Silverberg Jonathan I 
Published: June 2023

Abstract
Previous population-based studies in the USA found racial and ethnic differences of atopic dermatitis (AD) severity and treatment patterns. It is unclear whether these differences are from differences of disease characteristics or disparities. This study aims to examine racial and ethnic differences in severity and treatment patterns in a diverse outpatient patient cohort of patients with AD (n = 833). A retrospective observational study was performed of patients with physician-diagnosed atopic AD from a large metropolitan tertiary care medical center. Medical records were reviewed for race, ethnicity, disease severity and use of therapies from 10/01/2015-10/1/2021. Atopic dermatitis cases were identified using Hanifin–Rajka criteria. Chi-square or Fisher’s exact tests or were used to assess associations of race and ethnicity with AD severity. Generalized linear models were used to assess interactions of race or ethnicity with gender or age as predictors of individual treatments. There were no significant associations of body surface area (BSA; Fisher’s exact test, P = 0.19 and P = 0.44) or physician’s global assessment (PGA; P = 0.63 and P = 0.57) with race or ethnicity; nor interactions of race/ethnicity with gender or age as predictors of BSA or PGA. Asian and multiracial/other patients were more likely than White or Black patients to use topical calcineurin inhibitors (Chi-square, P = 0.01). Dupilumab use differed by race (Multiracial/other = 35.0%; White = 20.1%; Asian = 15.7%; Black = 13.6%; Chi-square, P = 0.03), but not ethnicity (P = 0.88). Use of oral corticosteroids (Chi-square, P = 0.74), immunosuppressants (P = 0.98) or GABAergics (P = 0.16), or NBUVB (P = 0.42) did not differ by race. There were no statistical interactions of race or ethnicity with gender or age as predictors of treatment use. This study demonstrates that AD severity and specific treatments did not differ overall between racial and ethnic groups in this diverse urban academic cohort.