Miracle-dz/UniFAR-FTUs huggingface dataset:
Modeling Soft Supramolecular Nanostructures by Molecular Simulations

The design and assembly of soft supramolecular structures based on small building blocks are governed by non-covalent interactions, selective host-guest interactions, or a combination of different interaction types. There is a surprising number of studies supporting the use of computational models for mimicking supramolecular nanosystems and studying the underlying patterns of molecular recognition and binding, in multi-dimensional approaches. Based on physical properties and mathematical concepts, these models are able to provide rationales for the conformation, solvation and thermodynamic characterization of this type of systems. Molecular dynamics (MD), including free-energy calculations, yield a direct coupling between experimental and computational investigation. This chapter provides an overview of the available MD-based methods, including path-based and alchemical free-energy calculations. The theoretical background is briefly reviewed and practical instructions are introduced on the selection of methods and post-treatment procedures. Relevant examples in which non-covalent interactions dominate are presented.
Nine-weeks versus one-year trastuzumab for early-stage HER2+ breast cancer: 10-year update of the Short-HER phase III randomized trial.

LBA637 Background: The ShortHER trial is a phase III non-inferiority, randomized trial comparing 9 weeks (short arm) versus 1 year (long arm) of adjuvant trastuzumab combined with chemotherapy in HER2+ eBC patients. The first primary end point of the study was the event-driven analysis of disease-free survival which was achieved in 2017, presented at ASCO 2017 and published in Annals of Oncology in 2018. The HR was 1.13 (90% CI 0.89-1.42) and the non-inferiority could not be claimed as the upper border of CI crossed the upper limit of 1.29 chosen as non-inferiority margin. According to a pre-planned Bayesian analysis, the probability that the short arm was not inferior to the standard one was 80%. Methods: 1254 HER2+ early breast cancer patients were stratified according to nodal status and randomized. Median age was 55 years (range 25-78); 672 (54%) patients were node negative, 383 (30%) with 1-3 positive nodes, 198 (16%) 4 or more positive nodes. At the time of the event-driven analysis, median follow up was 6 years, 200 DFS events and 78 deaths were reported. Here we report the overall survival,+ which was the second co-primary end point, updated DFS and outcomes according to nodal status. Results: Median follow-up is now 9 years, 248 DFS events and 116 deaths have been reported. The 10 year DFS is 77% in the long arm and 78% in the short arm (HR 1.06; 90% CI 0.86-1.31). The 10-year OS is 89% in the long arm and 88% in the short arm (HR 1.15; 90% CI 0.85-1.56). The DFS and OS data overall and by nodal status are summarized in the table below. Conclusions: At a median follow-up of 9 years, the ShortHER trial shows that 1 year trastuzumab is still the standard treatment for HER2+ eBC patients as non-inferiority cannot be claimed in terms of DFS or OS. Numerically however, the differences for the patients at low risk (N0) or intermediate risk (N 1-3) is negligible and patients with 4 or more positive lymph nodes have a clear benefit with 1 year trastuzumab. I. This long-term date can reassure clinicians if, for any reason a patient at low/intermediate risk has to stop trastuzumab and, more important, might facilitate access to a far less expensive treatment to the thousands of patients worldwide who cannot afford the cost of one year of trastuzumab. Clinical trial information: NCT00629278 . [Table: see text]
Grain‐scale supercharging and breakdown on airless regoliths

Interactions of the solar wind and emitted photoelectrons with airless bodies have been studied extensively. However, the details of how charged particles interact with the regolith at the scale of a single grain have remained largely uncharacterized. Recent efforts have focused upon determining total surface charge under photoemission and solar wind bombardment and the associated electric field and potential. In this work, theory and simulations are used to show that grain‐grain charge differences can exceed classical sheath predictions by several orders of magnitude, sometimes reaching dielectric breakdown levels. Temperature‐dependent electrical conductivity works against supercharging by allowing current to leak through individual grains; the balance between internal conduction and surface charging controls the maximum possible grain‐to‐grain electric field. Understanding the finer details of regolith grain charging, conductive equilibrium, and dielectric breakdown will improve future numerical studies of space weathering and dust levitation on airless bodies.
Equity incentive, separation of two rights and corporate performance: research on corporate governance based on two types of agency costs

This paper discusses the impact of equity incentive and the separation of two rights on corporate performance and the intermediary role of two kinds of agency costs by using the revised stepwise method taking A-share listed companies as the research object and using the Jones model to remove the impact of earnings management on corporate performance. The classification of industry and nature is introduced to further judge the heterogeneity of the conclusions. The results show that equity incentive can significantly reduce the first kind of agency cost and improve corporate performance, but the intermediary effect of the first kind of agency cost between equity incentive and corporate performance is not significant. Limiting the degree of separation of the two rights can significantly reduce the second kind of agency cost to improve corporate performance, and the second kind of agency cost has a partial intermediary effect between the degree of separation of the two rights and corporate performance. The results of different industries are heterogeneous and need to be treated differently. It is further found that non-state-owned enterprises can improve corporate performance through governance measures, but state-owned enterprises have not achieved a significant governance effect. This paper clarifies the black box between corporate governance and corporate performance from the effects of the two types of agency costs and effectively supplements the existing research system, which also provides a reference for market regulators to formulate policies.
Leg Length Inequality Effects on Ground and Lower Extremity Joint Reaction Forces during Walking

Leg length discrepancy (LLD) is caused either due to functional disorder or shortening of bone structure. This disorder could contribute to the significant effects on body weight distribution and lumbar scoliosis to a certain extent. Ground reaction force and joint reaction force are the parameters that can be used to analyse the responses in weight distribution and kinetics changes on the body joints, respectively. The purpose of this study was to determine the effect of Leg Length Discrepancy (LLD) on ground reaction force (GRF) and joint reaction force (JRF) in subjects mimicking LLD. Plywood block was used to mimic the artificial LLD. The height of the plywood was increased up to 4.0 cm with 0.5 cm increment. Hence, eight different height of LLD was considered to investigate which height of LLD initiated the significant effect. The experiment was conducted on ten healthy subjects that are walking on the force plate in two conditions; without load and with a load of 2 kg. Qualisys Track Manager (QTM) system and Visual 3D Software were employed for data processing. The result showed that mean peak vertical GRF and JRF of the shorter leg was found carried more weight than the longer leg during walking without load and walking with the additional load, respectively. Also, mean peak vertical GRF and JRF were found carried more weight during walking with additional load compared to walking without load.
Peeling property as a consequence of the cosmological constant

We show that the peeling property of the Weyl spinor for asymptotically (anti-)de Sitter spacetimes is guaranteed. In the case where there are Maxwell fields present, the peeling properties of both Weyl and Maxwell spinors similarly hold, if the leading order term of the spin coefficient ρ when expanded as inverse powers of r (where r is the usual spherical radial coordinate, and r → ∞ is I) has coefficient −1. This proof relies on a stipulation of the fall-offs for the unknown functions defining the null tetrad as well as the fall-offs of the spin coefficients for asymptotically (anti-)de Sitter spacetimes. If the cosmological constant is zero, then the peeling property does not appear to be guaranteed even with the stipulation of those fall-offs. Note that this approach is based on using the Newman-Penrose equations exclusively on the physical spacetime, i.e. we do not explicitly deal with conformal rescaling nor the conformal spacetime. In addition, we also discuss how the choices of coordinate system and null tetrad would affect the manifestation of the peeling property.
Antibiotic resistance of emerging pathogenic bacteria of hybrid grouper farming in Indonesia

Abstract. Istiqomah I, Isnansetyo A, Murwantoko, Handayani DP, Lestari YN, Taslihan A, Permana IGN, Wijayanti E. 2023. Antibiotic resistance of emerging pathogenic bacteria of hybrid grouper farming in Indonesia. Biodiversitas 24: 2493-2501. A hybrid grouper is among the main coastal farming species in Asian countries, yet vibriosis is still a significant issue. Therefore, a knowledge of pathogenic strains responsible for recent cases is essential for developing appropriate control measures. The purpose of the study was to describe emerging bacterial pathogens associated with hemorrhagic disorder, skin wounds, and mortality in cantang hybrid grouper farms in Indonesia. A total of 30 bacterial strains were recovered from the kidney of diseased grouper on TCBS agar. Based on the ability to induce clinical signs and mortality of grouper juveniles owing to intraperitoneal bacterial infection at 106 CFU/fish, the bacteria were divided into three groups: pathogenic (n=11), low-pathogenic (n=2), and non-pathogenic (n=17). The pathogenic strains were putatively identified as Photobacterium damselae subsp. Damselae (n=8), Vibrio alginolyticus (n=1), Vibrio harveyi (n=2), and Vibrio azureus (n=2) based on the biochemical characteristics and 16S rRNA and DNA gyrase B subunit gene sequences. The pathogenic bacteria were sensitive to erythromycin, gentamycin, oxytetracycline, and kanamycin. However, it still has various resistant patterns to ampicillin, fosfomycin, chloramphenicol, streptomycin, rifampicin, and enrofloxacin. This study demonstrated the emergence of pathogenic P. damselae subsp. damselae, Vibrio alginolyticus, V. harveyi, and V. azureus in grouper aquaculture in Indonesia with multiple antibiotic resistance, which needed to further studies.
English Language Primary Teachers’ Perceptions about Homework: A Replication Study

This study replicates Matei and Ciasca’s (2015) article about teachers’ perceptions concerning assignments. The purpose of this study is to examine the similarities and differences between the opinions of Math and Romanian primary teachers and primary English teachers, and the main aim of this study is to determine if teachers in this study would focus solely on the efficacy of homework and neglect its negative side as did the teachers in the original study. The data were collected using the original study questionnaire with some slight adaptations. The participants were 71 primary English teachers in Turkey. After the data was collected and analyzed, the results indicated a significant number of similarities between the teachers’ opinions. It was revealed that most teachers have positive perceptions about homework, but compared to the original study, the opinions about homework efficacy and students’ achievement varied and were different. Teachers in the present study have shown some disagreement and did not fully disregard the negative aspects of the assignment. In light of these findings, it was disclosed that teachers in both studies support parents' guidance, daily homework and the use of projects as a supplement. The noticeable difference between the two groups was that teachers in this study were more open to using projects and pair-work assignments.
Rounding in Angoff Ratings

One common modification to the Angoff standard-setting method is to have panelists round their ratings to the nearest 0.05 or 0.10 instead of 0.01. Several reasons have been offered as to why it may make sense to have panelists round their ratings to the nearest 0.05 or 0.10. In this article, we examine one reason that has been suggested, which is that even if panelists are given the opportunity to provide ratings to the nearest 0.01 they often round their ratings to the nearest 0.05 or 0.10 anyway. Using data from four standard settings, we show that in many cases ratings ended in a 0 or 5 when panelists were given the option of using a scale from 0 to 100 in one-point increments and that only about 9% of all ratings ended in a digit other than a 0 or 5. We also examined the impact of different rounding rules and we found that results were quite similar when using different rounding rules. Additional analyses showed the common phenomenon of panelists giving too high of ratings for hard items and too low of ratings for easy items in comparison to conditional p-values. It is suggested that rounding ratings to the nearest 0.05 or 0.10 represent reasonable alternatives to rounding ratings to the nearest 0.01.
Energy-Based Aerodynamic Loss and Recovery Characteristics of Adiabatic and Heated Fuselages

An energy-based aerodynamic analysis of the mechanical loss generation and potential energy/exergy recovery mechanisms is carried out for adiabatic and heated 2D axisymmetric flows over fuselage-shaped axisymmetric bodies. A generality of these mechanisms is obtained from dimensional analysis by appropriately scaling the freestream Reynolds and Mach numbers, while varying a reference fuselage’s fineness ratio. Thermo-aerodynamic implications and synergies of boundary-layer heating on the loss distribution, energy, and heat exergy recovery potentials are further considered for varying wall temperature ratios. The result is a clear identification of partial dynamic similarity and heat transfer effects on flow mechanisms such as shear layers, separation bubbles, and shockwaves of axisymmetric flows, and subsequent implications on loss distribution and energy recovery characteristics relating to boundary-layer ingestion. The analysis indicates that dissipating heat from aircraft surfaces aids, circumstantially, to drag reduction of unpowered fuselage bodies and increases, relative to the adiabatic, the recoverable energy fraction available for the boundary-layer ingestion propulsor, by strategically manipulating the loss distribution, while removing excess heat from the aircraft’s subsystem (batteries, fuel cells). Finally, an approach to assess the feasibility of exergetic heat recuperation as a possible means of useful work extraction and improved aerodynamic performance is explicitly introduced and discussed in the paper.
Research on the Dynamics and Variable Characteristics of a Double-Swash-Plate Hydraulic Axial Piston Pump With Port Valves

Axial piston pumps with port valves are widely used in applications that require high pressure and high power. In the present research, a new type of double-swash-plate hydraulic axial piston pump (DSPHAPP) with port valves is presented. The structure and working principle of the pump are discussed, and the balance characteristics of the pump are analyzed. A mathematical model of the pump flow distribution mechanism considering the leakage is established, based on which the effects of centrifugal forces acting on the port valves, working pressure, and rotational speed on the flow distribution characteristics are studied. A new method of varying the displacement of the pump that changes the phase relation of the two swash plates is proposed, and the principle and regulating characteristics of the variable method are studied. A detailed analysis of the forces and moments acting on the cylinder and the bearing reaction forces is presented. Finally, the relationship between volumetric efficiency and working pressure, and rotational speed and variable angle, is presented. It is revealed through an analysis that the working principle of the pump is feasible, and that the variable method can meet the requirements of varying the displacement of the pump. The characteristics of static balance and dynamic balance of the double-swashplate pump have the advantage of reducing vibration and noise. The research results also show that the reasonable matching of the working pressure and rotational speed can increase the pump's working performance to its optimum level.
Molecular Localization of Human Papilloma Virus genotypes (16, 18, and 6/11) in Patients with Colorectal Cancer by DNA- Insitu Hybridization

Human papilloma viruses (HPV) have been detected in several types of cancers. Over the last few years, a possible correlation between HPV infection and colorectal cancer has been suggested. The aim of this study was to investigate the association between human papilloma virus (HPV) infection and colorectal cancer. To determine the relationship between HPV and colorectal adenocarcinoma, a retrospective study was done. This study was carried out on 50 patients with hisopathologically confirmed primary colorectal cancer. Two samples were collected from each patient: one sample from the tumor site and the other one from adjacent normally appearing colorectal tissues, as well as ten (20) colorectal tissues from control individuals with no cancer. In situ hybridization (ISH) was used to detect HPV DNA (HPV 16 and 18 DNA ISH and 6/11 DNA CISH) in colorectal tissues. HPV 16 was detected in 16(32%) of tumor samples, and in 7 (14%) of adjacent normal tissues, and in additionally two cases of apparently healthy group gave positive results for it. HPV 18 was detected in 11 (22%) of tumor samples and in 6 (12%) of adjacent normal tissue. HPV 6/11 was detected in 24 (48%) of tumor samples and in 7 (14%) of adjacent normal tissue.Our results suggest that colorectal HPV infection is common in patients with adenocarcinoma colorectal, albeit at a low DNA copy number, with HPV16 being the most prevalent type. HPV infection may play a role in colorectal carcinogenesis
Ensemble Spread Grows More Rapidly in Higher-Resolution Simulations of Deep Convection

Idealized ensemble simulations of mesoscale convective systems (MCSs) with horizontal grid spacings of 1, 1.4, and 2 km are used to analyze the influence of numerical resolution on the rate of growth of ensemble spread in convection-resolving numerical models. The ensembles are initialized with random phases of 91-km-wavelength moisture perturbations that are captured with essentially identical accuracy at all resolutions. The rate of growth of ensemble variance is shown to systematically increase at higher resolution. The largest horizontal wavelength at which the perturbation kinetic energy (KE′) grows to at least 50% of the background kinetic energy spectrum is also shown to grow more rapidly at higher resolution. The mechanism by which the presence of smaller scales accelerates the upscale growth of KE′ is clear-cut in the smooth-saturation Lorenz–Rotunno–Snyder (ssLRS) model of homogeneous surface quasigeostrophic turbulence. Comparing the growth of KE′ from the MCS ensemble simulations to that in the ssLRS model suggests interactions between perturbations at small scales, where KE′ is not yet completely saturated, and somewhat larger scales, where KE′ is clearly unsaturated, are responsible for the faster growth rate of ensemble variance at finer resolution. These results provide some empirical justification for the use of deep-convection-related stochastic parameterization schemes to reduce the problem of underdispersion in coarser-resolution ensemble prediction systems.
Retrospective Study of Ligature Material on Suicidal Hanging

Background: Hanging is one of the most common methods of suicide. It is always suicidal unless otherwise proved. Recent evidence showed that the incidence of suicide by hanging has increased especially among young adults. Ligature material plays an important role in leading investigation in hanging. The ligature material depends on its accessibility and availability. Various ligature materials are being used like nylon rope, cotton rope, wire, synthetic saree, lungi etc. Objective: Present study is a humble effort to find out the choice of ligature material used by the victim at Dhaka Medical College. Materials and methods: A retrospective study was conducted at the mortuary of Forensic medicine department, Dhaka Medical College Hospital, Dhaka, Bangladesh from July 2017 to December 2018. During this period data were collected from 112 cases of medicolegal autopsies by purposive sampling. Result: A total of 112 medicolegal autopsies were analyzed. In this hanging death, the most common ligature material used was rope in 58% of cases followed by dupatta (13%), lungi (11%) and saree (9%). Electric wire and kamiz were other ligature material used for hanging. The consistency of ligature material observed was hard (71%) & width is narrow width is (71%). Majority of cases (71%) were observed is male. Complete hanging was seen in 67% of cases & among them 85% cases are atypical hanging. Conclusion: Hanging is always suicidal unless otherwise proved. It is the form of painless violent asphyxia death that is widely practiced method of suicide. The most used ligature material is rope. Rope is chosen as ligature material due to its availability and accessibility. Young people in the justice system may need personal and psychological support to reduce the incidence of suicide. Eastern Med Coll J. Jan 2023; 8 (1) 12-14
A reality check on the GARCH-MIDAS volatility models

We employ a battery of model evaluation tests for a broad-set of GARCH-MIDAS models and account for data snooping bias. We document that inferences based on standard tests for GM variance components can be misleading. Our data mining free results show that the gains of macro-variables in forecasting total (long run) variance by GM models are overstated (understated). Estimation of different components of volatility is crucial for designing differentiated investing strategies, risk management plans and pricing of derivative securities. Therefore, researchers and practitioners should be wary of data mining bias, which may contaminate a forecast that may appear statistically validated using robust evaluation tests.