bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculations
Authors: Gueriba Jessiel Siaron , Mizuseki Hiroshi , Cadatal-Raduban Marilou , Sarukura Nobuhiko , Kawazoe Yoshiyuki , Nagasawa Yosuke , Hirano Akira , Amano Hiroshi 
Published: November 2023

Abstract
Metastability of Al
n

/12Ga1−n/12N (n= 2–10: integer) with the 1–2 monolayer (ML) in-plane configuration towards the c [0001] direction has been demonstrated recently. To theoretically explain the existence of these metastable structures, relatively large calculation cells are needed. However, previous calculations were limited to the use of small calculation cell sizes to estimate the local potential depth (Δσ) of ordered Al1/2Ga1/2N models. In this work, we were able to evaluate large calculation cells based on the interaction energies between proximate Al atoms (δE
Al–Al) in AlGaN alloys. To do this, δE
Al–Al values were estimated by first-principles calculations (FPCs) using a (5a
1 × 5a
2 × 5c) cell. Next, a survey of the possible ordered configurations using various large calculation cell models was performed using the estimated δE
Al–Al values and the Monte-Carlo method. Then, various Δσ values were estimated by FPCs and compared with the configurations previously reported by other research groups. We found that the ordered configuration obtained from the (4a
1 × 2a
2 × 1c) calculation cell (C
42) has the lowest Δσ of −9.3 meV/cation and exhibited an in-plane configuration at the c(0001) plane having (–Al–Al–Ga–Ga–) and (–Al–Ga–) sequence arrangements observed along the

m

1

1
ˉ

00

planes. Hence, we found consistencies between the morphology obtained from experiment and the shape of the primitive cell based on our numerical calculations.
TeenyNet: a novel lightweight attention model for sunflower disease detection
Authors: Zhong Yi , Tong MengJun 
Published: November 2023

Abstract
Sunflower is one of the oilseed crops which is popularly and widely cultivated globally and contributes significantly to human health. Leaf diseases of sunflower seriously affect the growth and yield of sunflower, which directly leads to the loss of agricultural economy. However, existing machine learning algorithms and deep learning techniques are mainly based on large models with attention mechanisms, which lack considerations in computational performance, especially model size. Therefore, this study proposes a lightweight model called TeenyNet to break through the dilemma. First, the designed global multi-frequency feature extraction module decomposes the image to extract multi-frequency multi-scale features. Then, a parameter-free maximum pooling layer further extracts edge and texture features and simplifies the network complexity through downsampling, after which the proposed lightweight dual fusion attention and multi-branching structure fuses all the feature vectors to enhance multidimensional feature learning and accelerate the model convergence. Finally, the fully connected linear layer solves the multi-classification problem of sunflower disease under natural illumination background conditions. The experimental results show that TeenyNet obtains the highest accuracy of 98.94% for sunflower disease recognition with a minimum size of 143 KB and has better recognition performance in comparison experiments. TeenyNet can be effectively used for the detection of sunflower leaf diseases to achieve disease prevention and control.
An accurate and robust visual-inertial positioning method
Authors: Niu Zhiyuan , Ren Yongjie , Lin Jiarui , Ma Keyao , Zhu Jigui 
Published: November 2023

Abstract
The human–machine integrated coordinate measurement is a promising coordinate measurement method with high flexibility and efficiency for the complex working environments. The cameras installed on the head-mounted measurement device achieves accurate global positioning by observing the uncoded LED landmarks, and then combines with the local measuring to obtain 3D coordinates. However, limited by the frame rate of the camera, the fast movements of the operator’s head may cause landmark misidentification and visual positioning failure. In order to improve the robustness, a visual-inertial positioning method is proposed in this paper. An inertial measurement unit (IMU) is added to compensate for the deficiency of the visual positioning and enhance the dynamic performance. An adaptive extended Kalman filter (EKF), which adjusts the measurement noise covariance matrix based on the visual positioning uncertainty, is established to obtain the optimal state estimation. And an efficient initialization procedure is presented to implement the initial registration of uncoded landmarks based on the normal distribution transform algorithm and to determine the initial state of the IMU. Furthermore, the residual chi-square test is employed to detect false pose estimate in real time and to avoid positioning failure. The experiments demonstrate that the proposed method has high static positioning accuracy (0.681 mm) and high dynamic positioning robustness. The adaptive EKF realizes reliable landmark identification under fast movements and provides a higher accuracy than the common EKF.
Mixed convection of two layers with radiative electro-magnetohydrodynamics nanofluid flow in vertical enclosure
Authors: Ellahi Rahmat , Zeeshan Ahmad , Shehzad Nasir , Hussain Aneel , Sait Sadiq M 
Published: November 2023

Abstract
Mixed convection flow of two layers nanofluid in a vertical enclosure is studied. The channel consists of two regions. Region I is electrically conducting while Region II is electrically non-conducting. Region I is filled with base fluid water with copper oxides nanoparticles and Region II is filled with base fluid kerosene oil with iron oxides. The simultaneous effects of electro-magnetohydrodynamics and Grashof number are also taken into account. The governing flow problem consists of nonlinear coupled differential equations which is tackled using analytical technique. Analytical results have been obtained by the homotopy analysis method (HAM). The results for the leading parameters, such as the Hartmann numbers, Grashof numbers, ratio of viscosities, width ratio, volume fraction of nanoparticles, and the ratio of thermal conductivities for three different electric field scenarios under heat generation/absorption were examined. It is found that the effect of the negative electric load parameter assists the flow while the effect of the positive electric load parameter opposes the flow as compared to the case when the electric load parameter is zero. All outcomes for significant parameters on velocity and temperature are discussed graphically.
Smartphone photography based determination of refractive index of liquid
Authors: Pal Mrinal Kanti , Panchadhyayee Pradipta 
Published: November 2023

Abstract
A simple but useful method is presented to measure the refractive index of a liquid using the smartphone camera. We have measured the image lengths by utilizing the ImageMeter application (free online) and determine the refractive index directly. We mention some striking points based upon which this simple method can be considered robust and novel: (i) no extra device other than the smartphone is required; (ii) there is no need to know the focal length of the camera lens of the smartphone; (iii) instead of finding the size of the object, only the image sizes of the object in different conditions are to be measured in pixel units to determine the refractive index of the liquid.
Determination of acoustic phonon anharmonicities via second-order Raman scattering in CuI
Authors: Hildebrandt R , Seifert M , George J , Blaurock S , Botti S , Krautscheid H , Grundmann M , Sturm C 
Published: November 2023

Abstract
We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned by the support of the calculated 2-phonon density of states. In this way, the temperature dependence of acoustic phonons was determined down to 10 K. To determine independently the harmonic contributions of respective acoustic phonons, density functional theory in quasi-harmonic approximation was used. Finally, the anharmonic contributions were determined. The results are in agreement with earlier publications and extend CuI’s determined acoustic phonon properties to lower temperatures with higher accuracy. This approach demonstrates that it is possible to characterize the acoustic anharmonicities via Raman scattering down to zero-temperature renormalization constants of at least 0.1 cm−1.
Amplification of quantum transfer and quantum ratchet
Authors: Kozyrev Sergei V , Pechen Alexander N 
Published: November 2023

Abstract
Amplification of quantum transfer and ratchet–type processes are important for quantum technologies. We also expect that quantum ratchet works in quantum photosynthesis, where possible role of quantum effects is now widely discussed but the underlying dynamical processes are still not clearly known. In this work, we study a model of amplification of quantum transfer and making it directed, which we call the quantum ratchet model. The model is based on a special quantum control master equation with dynamics induced by a feedback-type process. The ratchet effect is achieved in the quantum control model with dissipation and sink, where the Hamiltonian depends on vibrations in the energy difference synchronized with transitions between energy levels. A similarity between this model and the model of coherent transport in quantum photosynthesis, where the time dependence of the Hamiltonian arises due to vibrons, is studied. Amplitude and frequency of the oscillating vibron together with the dephasing rate are the parameters of the quantum ratchet which determine its efficiency. We study with which parameters the quantum ratchet minimizes the exction recombination time and show that the experimentally known values of the parameters of the photosynthetic reaction center correspond to values of the parameters of the quantum ratchet which realize a local minimum of the exciton recombination time. We also find other values of the parameters of the quantum ratchet minimizing the exciton recombination time, which correspond to a twice smaller frequency of the vibron compared to that observed in experiments.
Wear analysis of rolling bearing contact surfaces based on finite element method
Authors: Li Wei , Tan Yalou , Tao Yaping , Bai Diaojun 
Published: November 2023

Abstract
Wear leads to the roughening of bearing surfaces, increased internal clearances, decreased rotational precision, and amplified vibration and noise, ultimately causing the bearing to fail to meet specified performance criteria. This study employs the quasi-static analysis method to examine bearing sliding behavior. Based on the Archard wear model and Hertz contact theory, a computational model for wear depth in lubricated conditions is established for rolling ball bearings, accounting for both the rolling and sliding of the rolling elements. The distribution law of load and wear coefficient along the raceway circumference are analyzed, along with the characteristics of stress and sliding velocity in the contact region. The study investigates the impact of rotational speed, load, surface roughness, and raceway curvature coefficient on the wear coefficient, wear depth, and minimum oil film thickness. Furthermore, sensitivity analysis is conducted on the parameters of the wear depth model. Finite element analysis, utilizing ANSYS Workbench, is employed to study the evolution of surface wear on the raceway of deep groove ball bearings and explore the dynamic relationship between contact stress and wear depth. These findings offer important theoretical guidance for the design, selection, and maintenance of rolling bearings.
Photon to axion conversion during Big Bang Nucleosynthesis
Authors: Cuesta A.J. , Illana J.I. , Masip M. 
Published: November 2023

Abstract
We investigate how the resonant conversion at a temperature T̅ = 25–65 keV of a fraction of the CMB photons into an axion-like majoron affects BBN. The scenario, that assumes the presence of a primordial magnetic field and the subsequent decay of the majorons into neutrinos at T ≈ 1 eV, has been proposed to solve the H
0 tension. We find two main effects. First, since we lose photons to majorons at T̅, the baryon to photon ratio is smaller at the beginning of BBN (T > T̅) than during decoupling and structure formation (T ≪ T̅). This relaxes the 2σ mismatch between the observed deuterium abundance and the one predicted by the standard ΛCDM model. Second, since the conversion implies a sudden drop in the temperature of the CMB during the final phase of BBN, it interrupts the synthesis of lithium and beryllium and reduces their final abundance, possibly alleviating the lithium problem.
Beam displacement tolerances on a segmented mirror for higher-order Hermite–Gauss modes
Authors: Tao Liu , Brown Nina , Fulda Paul 
Published: November 2023

Abstract
Odd-indexed higher-order Hermite–Gauss (HG) modes are compatible with four-quadrant segmented mirrors due to their intensity nulls along the principal axes, which guarantees minimum beam intensity illuminating the bond lines between the segments thus leading to low power loss. However, a misplaced HG beam can cause extra power loss due to the bright intensity spots probing the bond lines. This paper analytically and numerically studies the beam displacement tolerances on a segmented mirror for the

H

G

3
,
3

mode. We conclude that for ‘effective’ bond lines with 6 µm width, and the

H

G

3
,
3

beam size chosen to guarantee 1 ppm clipping loss when centered, the beam can be rotated by roughly 1∘ or laterally displaced by 4% of its beam size while keeping the total power on the bond lines under 1 ppm. We also demonstrate that the constrained beam displacement parameter region that guarantees a given power loss limit, or the beam displacement tolerance, is inversely proportional to the bond line thickness.
Prognostic Significance of Blood Pressure at Rest and After Performing the Six-Minute Walk Test in Patients With Acute Heart Failure
Authors: Huang Jiale , Yu Zhongping , Wu Yuzhong , He Xin , Zhao Jingjing , He Jiangui , Staessen Jan A , Dong Yugang , Liu Chen , Wei Fang-Fei 
Published: November 2023

Abstract

BACKGROUND
It remains unclear whether systolic (SBP) and diastolic (DBP) pressure and BP response after six-minute walk test (6MWT) are associated with adverse outcomes in patients with acute heart failure (AHF).

METHODS
We investigated these associations in 98 AHF patients (24.5% women; mean age, 70.5 years) enrolled in the ROSE trial (The Low-dose Dopamine or Low-dose Nesiritide in Acute Heart Failure with Renal Dysfunction). The primary endpoint consisted of any death or rehospitalization within 6 months after randomization. We computed hazard ratios (HRs) of the risks associated with 1-SD increase in post-exercise BP levels and BP ratios, calculated as BP immediately after 6MWT divided by BP before 6MWT.

RESULTS
The BP before and after 6MWT averaged 110.6/117.5 mm Hg for SBP and 61.9/64.7 mm Hg for DBP. In multivariable-adjusted analyses including clinic BP measured at the same day of 6MWT, higher DBP after 6MWT was associated with lower risk of the primary endpoint (HR, 0.49; 95% confidence interval [CI], 0.26–0.95; P = 0.034). Both higher SBP and DBP immediately after 6MWT were associated with lower risk of 6-month mortality (HRs, 0.39/0.16; 95% CI, 0.17–0.90/0.065–0.40; P ≤ 0.026). The post-exercise SBP ratio was associated with the risk of 6-month mortality in multivariable-adjusted analyses (HR, 0.44; P = 0.023).

CONCLUSIONS
Higher BP levels and BP ratios immediately after 6MWT conferred lower risk of adverse health outcomes. Our observations highlight that 6MWT-related BP level and response may refine risk estimates in patients hospitalized AHF and may help further investigation for the development of HF preventive strategies.
Expression analysis of genes encoding extracellular leucine-rich repeat proteins in Arabidopsis thaliana
Authors: Dutta Amit Kumar , Sultana Mst Momtaz , Tanaka Ai , Suzuki Takamasa , Hachiya Takushi , Nakagawa Tsuyoshi 
Published: November 2023

ABSTRACT
Leucine-rich repeat (LRR)-containing proteins have been identified in diverse species, including plants. The diverse intracellular and extracellular LRR variants are responsible for numerous biological processes. We analyzed the expression patterns of Arabidopsis thaliana extracellular LRR (AtExLRR) genes, 10 receptor-like proteins, and 4 additional genes expressing the LRR-containing protein by a promoter: β-glucuronidase (GUS) study. According to in silico expression studies, several AtExLRR genes were expressed in a tissue- or stage-specific and abiotic/hormone stress-responsive manner, indicating their potential participation in specific biological processes. Based on the promoter: GUS assay, AtExLRRs were expressed in different cells and organs. A quantitative real-time PCR investigation revealed that the expressions of AtExLRR3 and AtExLRR9 were distinct under various abiotic stress conditions. This study investigated the potential roles of extracellular LRR proteins in plant growth, development, and response to various abiotic stresses.
From intuition to AI: evolution of small molecule representations in drug discovery
Authors: McGibbon Miles , Shave Steven , Dong Jie , Gao Yumiao , Houston Douglas R , Xie Jiancong , Yang Yuedong , Schwaller Philippe , Blay Vincent 
Published: November 2023

Abstract
Within drug discovery, the goal of AI scientists and cheminformaticians is to help identify molecular starting points that will develop into safe and efficacious drugs while reducing costs, time and failure rates. To achieve this goal, it is crucial to represent molecules in a digital format that makes them machine-readable and facilitates the accurate prediction of properties that drive decision-making. Over the years, molecular representations have evolved from intuitive and human-readable formats to bespoke numerical descriptors and fingerprints, and now to learned representations that capture patterns and salient features across vast chemical spaces. Among these, sequence-based and graph-based representations of small molecules have become highly popular. However, each approach has strengths and weaknesses across dimensions such as generality, computational cost, inversibility for generative applications and interpretability, which can be critical in informing practitioners’ decisions. As the drug discovery landscape evolves, opportunities for innovation continue to emerge. These include the creation of molecular representations for high-value, low-data regimes, the distillation of broader biological and chemical knowledge into novel learned representations and the modeling of up-and-coming therapeutic modalities.
Delay in diagnosis is the most important proximate reason for mortality in hereditary angio-oedema: our experience at Chandigarh, India
Authors: Kumar Jindal Ankur , Basu Suprit , Tyagi Reva , Barman Prabal , Sil Archan , Chawla Sanchi , Kaur Anit , Tyagi Rahul , Jangra Isheeta , Machhua Sanghamitra , Sendhil Kumaran Muthu , Dogra Sunil , Vinay Keshavamurthy , Bishnoi Anuradha , Sharma Rajni , Garg Ravinder , Saka Ruchi , Suri Deepti , Pandiarajan Vignesh , Pilania Rakesh , Dhaliwal Manpreet , Sharma Saniya , Rawat Amit , Singh Surjit 
Published: November 2023

Abstract

Background
Hereditary angio-oedema (HAE) is a rare autosomal dominant disorder characterized clinically by recurrent episodes of nonpruritic subcutaneous and/or submucosal oedema. Laryngeal oedema is the commonest cause of mortality in patients with HAE. Prior to the availability of first-line treatment options for the management of HAE, mortality was as high as 30%. Mortality has significantly declined in countries where first-line treatment options are available and patients can access these therapies. There is a paucity of literature on the outcomes of patients with HAE in developing countries where availability of and access to first-line treatment options are still a challenge.

Objectives
To report our experience on mortality in patients with HAE and to report factors associated with the death of these patients.

Methods
We carried out a record review of all patients diagnosed with HAE between January 1996 and August 2022. Families with HAE who had reported the death of at least one family member/relative from laryngeal oedema were studied in detail.

Results
Of the 65 families (170 patients) registered in the clinic, 16 families reported the death of at least one family member/relative from laryngeal oedema (total of 36 deaths). Of these 16 families, 14 reported that 1 or more family members had experienced at least 1 attack of laryngeal oedema. One patient died during follow-up when she was taking long-term prophylaxis with stanozolol and tranexamic acid, while the remaining 35 patients were not diagnosed with HAE at the time of their death. At the time of death of all 36 patients, at least 1 other family member had symptoms suggestive of HAE, but the diagnosis was not established for the family.

Conclusions
To our knowledge, this is the largest single-centre cohort of patients with HAE in India reporting mortality data and factors associated with death in these families. The delay in diagnosis is the most important reason for mortality.
Increased regional Hurst exponent reflects response inhibition related neural complexity alterations in pediatric bipolar disorder patients during an emotional Go-Nogo task
Authors: Guo Yi-Bing , Jiao Qing , Zhang Xiao-Tong , Xiao Qian , Wu Zhou , Cao Wei-Fang , Cui Dong , Yu Guang-Hui , Dou Ru-Hai , Su Lin-Yan , Lu Guang-Ming 
Published: November 2023

Abstract
Fractal patterns have been shown to change in resting- and task-state blood oxygen level-dependent signals in bipolar disorder patients. However, fractal characteristics of brain blood oxygen level-dependent signals when responding to external emotional stimuli in pediatric bipolar disorder remain unclear. Blood oxygen level-dependent signals of 20 PBD-I patients and 17 age- and sex-matched healthy controls were extracted while performing an emotional Go-Nogo task. Neural responses relevant to the task and Hurst exponent of the blood oxygen level-dependent signals were assessed. Correlations between clinical indices and Hurst exponent were estimated. Significantly increased activations were found in regions covering the frontal lobe, parietal lobe, temporal lobe, insula, and subcortical nuclei in PBD-I patients compared to healthy controls in contrast of emotional versus neutral distractors. PBD-I patients exhibited higher Hurst exponent in regions that involved in action control, such as superior frontal gyrus, inferior frontal gyrus, inferior temporal gyrus, and insula, with Hurst exponent of frontal orbital gyrus correlated with onset age. The present study exhibited overactivation, increased self-similarity and decreased complexity in cortical regions during emotional Go-Nogo task in patients relative to healthy controls, which provides evidence of an altered emotional modulation of cognitive control in pediatric bipolar disorder patients. Hurst exponent may be a fractal biomarker of neural activity in pediatric bipolar disorder.