bluuebunny/crossref_metadata_2025_split huggingface dataset:
Forecasting nonadiabatic dynamics using hybrid convolutional neural network/long short-term memory network
Authors: Wu Daxin , Hu Zhubin , Li Jiebo , Sun Xiang 
Published: November 2021

Modeling nonadiabatic dynamics in complex molecular or condensed-phase systems has been challenging, especially for the long-time dynamics. In this work, we propose a time series machine learning scheme based on the hybrid convolutional neural network/long short-term memory (CNN-LSTM) framework for predicting the long-time quantum behavior, given only the short-time dynamics. This scheme takes advantage of both the powerful local feature extraction ability of CNN and the long-term global sequential pattern recognition ability of LSTM. With feature fusion of individually trained CNN-LSTM models for the quantum population and coherence dynamics, the proposed scheme is shown to have high accuracy and robustness in predicting the linearized semiclassical and symmetrical quasiclassical mapping dynamics as well as the mixed quantum-classical Liouville dynamics of various spin-boson models with learning time up to 0.3 ps. Furthermore, if the hybrid network has learned the dynamics of a system, this knowledge is transferable that could significantly enhance the accuracy in predicting the dynamics of a similar system. The hybrid CNN-LSTM network is thus believed to have high predictive power in forecasting the nonadiabatic dynamics in realistic charge and energy transfer processes in photoinduced energy conversion.
Probing ultrafast hot charge carrier migration in MoS2 embedded CdS nanorods
Authors: Goswami Tanmay , Bhatt Himanshu , Yadav Dharmendra Kumar , Saha Ramchandra , Babu K. Justice , Ghosh Hirendra N. 
Published: November 2021

Efficient utilization of hot charge carriers is of utmost benefit for a semiconductor-based optoelectronic device. Herein, a one-dimensional (1D)/two-dimensional (2D) heterojunction was fabricated in the form of CdS/MoS2 nanorod/nanosheet composite and migration of hot charge carriers was being investigated with the help of transient absorption (TA) spectroscopy. The band alignment was such that both the electrons and holes in the CdS region tend to migrate into the MoS2 region following photoexcitation. The composite system is composed of optical signatures of both CdS and MoS2, with the dominance of CdS nanorods. In addition, the TA signal of MoS2 is substantially enhanced in the heterosystem at the cost of the diminished CdS signal, confirming the migration of charge carrier population from CdS to MoS2. This migration phenomenon was dominated by the hot carrier transfer. The hot carriers in the high energy states of CdS are preferentially migrated into the MoS2 states rather than being cooled to the band edge. The hot carrier transfer time for a 400 nm pump excitation was calculated to be 0.21 ps. This is much faster than the band edge electron transfer process, occurring at 2.0 ps time scale. We found that these migration processes are very much dependent on the applied pump photon energy. Higher energy pump photons are more efficient in the hot carrier transfer process and place these hot carriers in the higher energy states of MoS2, further extending charge carrier separation. This detailed spectroscopic investigation would help in the fabrication of better 1D/2D heterojunctions and advance the optoelectronic field.
HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations
Authors: Ziogos Orestis George , Kubas Adam , Futera Zdenek , Xie Weiwei , Elstner Marcus , Blumberger Jochen 
Published: November 2021

A new molecular dataset called HAB79 is introduced to provide ab initio reference values for electronic couplings (transfer integrals) and to benchmark density functional theory (DFT) and density functional tight-binding (DFTB) calculations. The HAB79 dataset is composed of 79 planar heterocyclic polyaromatic hydrocarbon molecules frequently encountered in organic (opto)electronics, arranged to 921 structurally diverse dimer configurations. We show that CASSCF/NEVPT2 with a minimal active space provides a robust reference method that can be applied to the relatively large molecules of the dataset. Electronic couplings are largest for cofacial dimers, in particular, sulfur-containing polyaromatic hydrocarbons, with values in excess of 0.5 eV, followed by parallel displaced cofacial dimers. V-shaped dimer motifs, often encountered in the herringbone layers of organic crystals, exhibit medium-sized couplings, whereas T-shaped dimers have the lowest couplings. DFT values obtained from the projector operator-based diabatization (POD) method are initially benchmarked against the smaller databases HAB11 (HAB7-) and found to systematically improve when climbing Jacob’s ladder, giving mean relative unsigned errors (MRUEs) of 27.7% (26.3%) for the generalized gradient approximation (GGA) functional BLYP, 20.7% (15.8%) for hybrid functional B3LYP, and 5.2% (7.5%) for the long-range corrected hybrid functional omega-B97X. Cost-effective POD in combination with a GGA functional and very efficient DFTB calculations on the dimers of the HAB79 database give a good linear correlation with the CASSCF/NEVPT2 reference data, which, after scaling with a multiplicative constant, gives reasonably small MRUEs of 17.9% and 40.1%, respectively, bearing in mind that couplings in HAB79 vary over 4 orders of magnitude. The ab initio reference data reported here are expected to be useful for benchmarking other DFT or semi-empirical approaches for electronic coupling calculations.
A BGO set-up for the direct measurement of the D(p,γ)3He fusion cross section at LUNA
Authors: Mossa Viviana 
Published: November 2021

Abstract
The Big Bang Nucleosynthesis (BBN) describes the production of light nuclides occurred during the first minutes of cosmic time. It started with the accumulation of deuterium, whose primordial abundance is sensitive to the universal baryon density and to the amount of relativistic particles. Currently the main source of uncertainty to an accurate theoretical deuterium abundance evaluation is due to the poor knowledge of the D(p, γ)3He cross section at BBN energies.
The present work wants to describe one of the two experimental approaches proposed by the LUNA collaboration, whose goal is to measure with unprecedented precision, the reaction cross section in the energy range 30 < Ecm[keV] < 300.
Mappings by the complex exponential function
Authors: Triana J G , Fuentes J A , Ramirez P 
Published: November 2021

Abstract
In mathematics, engineering, and physics, some problems can be solved through complex functions; in many cases, with geometric inconveniences or complicated domains. Conformal mappings are essential to transform a complicated analytic domain onto a simple domain. Physical approaches to visualization of complex functions can be used to represent conformal mappings, here we use the transformation of regions of the complex plane. This paper provides a graphical overview of the transformation of a set of regions by the complex exponential function.
Scientific skills in the physics learning process. A pilot study in secondary education
Authors: Hernández-Suárez C A , Gamboa-Suárez A A , Avendaño-Castro W R 
Published: November 2021

AbstractThe objective of this article is to identify the competencies of students studying the subject of natural sciences - physics at the high school level, in accordance with the curricular guidelines of the Ministerio de Educación Nacional de Colombia. Methodologically, it was based on a quantitative design, using a student perception survey. The results show, from the students’ point of view, that the teachers have knowledge of their discipline, but the follow-up and improvement of their pedagogical practice at the curricular, didactic and evaluation levels is questioned. It is questioned that the processes related to research and the scientific method are not linked to their classes, so that the students’ level of competences is not the ideal one according to what is established from the curricular orientations at a national level.
Effect of the pitch particle size on the thermal property of carbon foams
Authors: Xia Jing , Liu Junqing , Liang Wenbin 
Published: November 2021

Abstract
In this research, the influence of the pitch particle size on the thermal diffusivity of the carbon foam was studied. The results indicate that the thermal diffusivity increases from 12.3 mm2/s to 23.09 mm2/s with an increasing pitch particle size from <500 mesh to 100-200 mesh, because the carbon foam produced by using larger pitch particle has highly aligned graphitic structures with less cracks and folded texture and its degree of graphitization is higher.
Institutional Systems In Planning And Strategy For Oyster Mushroom Business Development
Authors: Jafar Rayhana , Nuddin A , Khaerunnisa  , Machmuddin Nurlela 
Published: November 2021

Abstract
The development of oyster mushroom business has not been able to meet the increasing consumer demand both in terms of quality and quantity. This happened because of limited funds and application of technology, limited skilled workers, and institutional optimization. Therefore the study aims to analyze: factors that affect the weak coordination function, and Strategic programs in the development of oyster mushroom business. The study was conducted in Enrekang District, South Sulawesi Province. Data were collected by descriptive research through an expert system approach using survey methods. Interpretative Structural Modeling (ISM) used to analyze a strategic program in the development of the oyster mushroom business. The results showed that, Factors causing the weak coordination function in the planning and development of oyster mushroom businesses are Weak formation/training, Institutional disengagement from the start, and Weak Organizing; More strategic programs in planning and developing the oyster mushroom business are Provision/access to capital resources, Oyster Mushroom Price Guarantee, Increasing farmers’ knowledge and skills, and Effectiveness of counseling in the field.
The Effect Of Covid-19 On Demand And Supply Of Animal Food Of Livestock
Authors: Laela Rahmah Ulfa Indah , Yuliandri Lili Adam 
Published: November 2021

Abstract
The Coronavirus that is present in society in 2020 is attracting attention. The visible impact does not only affect public health but also affects the country’s economy. Even today the world economy is under heavy pressure due to this virus. The topic this time will discuss the global impact of the presence of the coronavirus or its scientific name is referred to as COVID-19. The research method used is descriptive qualitative by describing the phenomena and existing literature. The results of this study indicate that seeing economic developments and influences is not limited to the scope of the economy itself. However, the economy can also be affected by culture and health. This is evidenced by the spread of the Coronavirus which has harmed the world economy.
Racial/Ethnic and Gender Differences in Risk of Injury and Life-Course Drinking Patterns: Data from US National Alcohol Surveys
Authors: Cherpitel Cheryl J , Ye Yu , Kerr William C 
Published: November 2021

Abstract

Aims
To estimate risk of injury associated with frequency of drinking and heavy drinking (5+ drinks on occasion) by gender and race/ethnicity in the US population.

Methods
Data were from a merged sample of two National Alcohol Surveys (telephone and web-based) (2014–2015 and 2019–2020) on 16,639 respondents, and analyzed using Cox proportional hazards models with age as the timescale in a retrospective cohort design. Life-course drinking was determined by age of onset and questions on any drinking and heavy drinking by decade of life. The outcome measure was having had an injury from a serious accident at a certainage.

Results
Frequent heavy drinking (5+ daily, weekly and monthly) was significantly predictive of injury with hazard ratios (HRs) of 2.40, 1.81 and 1.50, respectively, while frequent light drinking (alcohol at least weekly and 5+ yearly or less) was also significant for women (HR = 1.73). For White respondents, 5+ at least weekly was significant for both men (HR = 1.74) and women (HR = 2.42). Among Hispanic respondents, 5+ at least weekly and 5+ monthly were both significant for men (HR = 2.81 and 2.49, respectively) and women (HR = 2.81 and 3.48, respectively). Among Black women, risk was significant for 5+ monthly (HR = 2.90) and for any alcohol ≥ weekly (HR = 2.72), but neither frequency of any drinking or 5+ was significant for Blackmen.

Conclusions
Data suggest a greater risk of injury from a serious accident for frequent heavy drinkers among all White and Hispanic respondents, and Black women, but not for Blackmen.
Coexpression of gene transcripts with monoamine oxidase a quantified by human in vivo positron emission tomography
Authors: Godbersen G M , Murgaš M , Gryglewski G , Klöbl M , Unterholzner J , Rischka L , Spies M , Baldinger-Melich P , Winkler D , Lanzenberger R 
Published: November 2021

Abstract
The monoamine oxidase A (MAO-A) is integral to monoamine metabolism and is thus relevant to the pathophysiology of various neuropsychiatric disorders; however, associated gene-enzyme relations are not well understood. This study aimed to unveil genes coexpressed with MAO-A. Therefore, 18 179 mRNA expression maps (based on the Allen Human Brain Atlas) were correlated with the cerebral distribution volume (VT) of MAO-A assessed in 36 healthy subjects (mean age ± standard deviation: 32.9 ± 8.8 years, 18 female) using [11C]harmine positron emission tomography scans. Coexpression analysis was based on Spearman’s ρ, over-representation tests on Fisher’s exact test with false discovery rate (FDR) correction. The analysis revealed 35 genes in cortex (including B-cell translocation gene family, member 3, implicated in neuroinflammation) and 247 genes in subcortex (including kallikrein-related peptidase 10, implicated in Alzheimer’s disease). Significantly over-represented Gene Ontology terms included “neuron development”, “neuron differentiation”, and “cell-cell signaling” as well as “axon” and “neuron projection”. In vivo MAO-A enzyme distribution and MAOA expression did not correlate in cortical areas (ρ = 0.08) while correlation was found in subcortical areas (ρ = 0.52), suggesting influences of region-specific post-transcriptional and -translational modifications. The herein reported information could contribute to guide future genetic studies, deepen the understanding of associated pathomechanisms and assist in the pursuit of novel therapeutic targets.
More on the invisibility of chronic kidney disease… and counting
Authors: Carriazo Sol , Villalvazo Priscila , Ortiz Alberto 
Published: November 2021

ABSTRACT
Lack of awareness of a diagnosis of chronic kidney disease (CKD) in patients and physicians is a major contributor to fueling the CKD pandemic by also making it invisible to researchers and health authorities. This is an urgent matter to tackle if dire predictions of future CKD burden are to be addressed. CKD is set to become the fifth-leading global cause of death by 2040 and the second-leading cause of death before the end of the century in some countries with long life expectancy. Coronavirus disease 2019 (COVID-19) illustrated this invisibility: only after the summer of 2020 did it become clear that CKD was a major driver of COVID-19 mortality, both in terms of prevalence as a risk factor and of the risk conferred for lethal COVID-19. However, by that time the damage was done: news outlets and scientific publications continued to list diabetes and hypertension, but not CKD, as major risk factors for severe COVID-19. In a shocking recent example from Sweden, CKD was found to be diagnosed in just 23% of 57 880 persons who fulfilled diagnostic criteria for CKD. In the very same large cohort, diabetes or cancer were diagnosed in 29% of persons, hypertension in 82%, cardiovascular disease in 39% and heart failure in 28%. Thus, from the point of view of physicians, patients and health authorities, CKD was the least common comorbidity in persons with CKD, ranking sixth, after other better-known conditions. One of the consequences of this lack of awareness was that nephrotoxic medications were more commonly prescribed in patients with CKD who did not have a diagnosis of CKD. Low awareness of CKD may also fuel concepts such as the high prevalence of hypertensive nephropathy when CKD is diagnosed after the better-known condition of hypertension.
Efficient Traceable Attribute-Based Signature With Update-Free Revocation For Blockchain
Authors: Zhang Jixin , Chen Jiageng 
Published: November 2021

AbstractAttribute-based signature (ABS) allows signers with a set of attributes to sign messages anonymously using a specific signing policy. However, previous schemes suffer from some efficiency issues which are not widely applied on the blockchain. In this paper, we investigate ABS regarding its features and efficiency in the blockchain setting and provide our solution correspondingly. To solve the revocation problem of ABS in a more efficient manner, we introduce the update-free revocation function. Instead of the passive attribute expiration approaches, we take the active method to ensure that no parameter updates are required by users after the execution of the revocation function. In terms of efficiency, we first address the problem that the signer has to provide proof for all attributes in the predicate for privacy, which is one of the efficiency bottlenecks for ABS. By taking advantage of the blockchain architecture, we propose a new solution which can achieve the constant signature size and verification cost, while the signing cost can be greatly reduced. The corresponding security levels are satisfied according to their strict criteria. A generic construction as well as an instantiation are provided which is provably secure in the standard model satisfying the newly defined formal security definitions. Finally, a purer primitive is discussed.
Four-dimensional flow magnetic resonance imaging visualizes reverse vortex pattern and energy loss increase in left bundle branch block
Authors: Miyajima Keisuke , Urushida Tsuyoshi , Ito Kazuki , Kin Fumihiko , Okazaki Ayako , Takashima Yasuyo , Watanabe Tomoyuki , Kawaguchi Yoshitaka , Wakabayashi Yasushi , Takehara Yasuo , Maekawa Yuichiro 
Published: November 2021

Abstract

Aims
This study aimed to investigate the intraventricular blood flow pattern of patients with left bundle branch block (LBBB) using four-dimensional flow magnetic resonance imaging (4D-flow MRI).

Methods and results
We performed 4D-flow MRI for 16 LBBB patients (LBBB group) and 16 propensity score-matched patients with a normal QRS duration (non-LBBB group). The energy loss (EL) in the left ventricle was evaluated. In both groups, blood flow from the mitral valve to the apex of the heart and left ventricular (LV) outflow tract during LV diastole were observed. Vortices were also observed in both groups. There were two patterns of vortices: unidirectional clockwise rotation and counterclockwise rotation taking place from the mid-diastole to the systole (reverse pattern). The reverse pattern was observed significantly more frequently in the LBBB group (LBBB 94% vs. non-LBBB 19%, P &lt; 0.001). The interobserver agreement for the streamline analysis was good (kappa = 0.68). The maximum EL was significantly higher in the LBBB group [LBBB 12 (11–15) mW vs. non-LBBB 8.0 (6.2–9.7) mW, P &lt; 0.001].

Conclusion
Left bundle branch block patients may suffer from inefficient LV haemodynamics reflected by non-physiological counterclockwise vortices and increased EL. Thus, the shape of the vortices and EL in the left ventricle can serve as markers of LV mechanical dyssynchrony in LBBB patients and could be investigated as predictors of response to cardiac resynchronization therapy.
Viable fructophilic lactic acid bacteria present in honeybee-based food products
Authors: Takatani Naoki , Endo Akihito 
Published: November 2021

Abstract
Fructophilic lactic acid bacteria (FLAB) are a group of lactic acid bacteria (LAB) with unique growth characteristics and are regarded as promising candidates for foods or food ingredients. The present study characterized levels of viable FLAB cells in honeybee-based food products, especially focusing on fresh honey. FLAB were recovered from 88% of fresh honey samples (harvested within a week) tested, and 29% of the fresh honey samples contained FLAB with levels of over 105 CFU/g. FLAB species found in the tested fresh honeys were mostly Apilactobacillus kunkeei and Fructobacillus fructosus. FLAB were not recovered from aged honey samples (aged over 2 weeks after harvest). Fresh comb honey and bee pollen samples occasionally contained low levels of FLAB. When FLAB were inoculated into honeys (linden honey and clover honey), their viability markedly reduced during a week. One of the reasons for this decrease was presence of H2O2 in the honeys, and supplementation of catalase significantly improved their survivability in linden honey. The long history of human consumption of fresh honey suggests that viable FLAB cells do not present health concerns.
A goal-oriented adaptive finite-element approach for 3-D marine controlled-source electromagnetic problems with general electrical anisotropy
Authors: Wang Feiyan , Ren Zhengyong , Zhao Lihong 
Published: November 2021

SUMMARY
We present a goal-oriented adaptive finite-element algorithm for accurately modelling marine controlled-source electromagnetic responses in 3-D media with general electrical anisotropy. We formulate the primal boundary value problem in terms of the total electric field for general applications. Following the goal-oriented adaptivity concept, the dual problem is derived from a functional designed to measure the data errors of interest in light of the data quality. We approximate the solutions to the primal and dual formulations using the edge finite-element method on tetrahedral grids for a flexible treatment of complex geological settings and survey geometries. To control the mesh adaptation, we develop a reliable residual-type a posteriori error estimation that takes account of the volumetric residual and the numerical discontinuity of the normal component of the electrical current density and that of the tangential component of the magnetic field with respect to non-smooth and anisotropic coefficients. We demonstrate the proposed modelling solver on 1-D MCSEM scenarios with varying degrees of electrical anisotropy. The comparison with goal-oriented adaptivity results obtained from other three commonly used error indicators shows that our approach is robust in dealing with both moderate and strong electrical anisotropy. After that, we constructed a 3-D hydrocarbon-bearing reservoir model with slope seafloor topography and tilted transverse isotropy in the background to examine our algorithm for the case of multiple sources. Finally, we implement a sensitivity analysis procedure to evaluate the resolution of the electrical anisotropy. The quantitative results indicate limitations and preferences of conventional MCSEM data in resolving anisotropic models, providing fundamental insights for inversion based data interpretation.