Miracle-dz/UniFAR-FTUs huggingface dataset:
Impact of the Protein Environment on Two-Photon Absorption Cross-Sections of the GFP Chromophore Anion Resolved at the XMCQDPT2 Level of Theory

The search for fluorescent proteins with large two-photon absorption (TPA) cross-sections and improved brightness is required for their efficient use in bioimaging. Here, we explored the impact of a single-point mutation close to the anionic form of the GFP chromophore on its TPA activity. We considered the lowest-energy transition of EGFP and its modification EGFP T203I. We focused on a methodology for obtaining reliable TPA cross-sections for mutated proteins, based on conformational sampling using molecular dynamics simulations and a high-level XMCQDPT2-based QM/MM approach. We also studied the numerical convergence of the sum-over-states formalism and provide direct evidence for the applicability of the two-level model for calculating TPA cross-sections in EGFP. The calculated values were found to be very sensitive to changes in the permanent dipole moments between the ground and excited states and highly tunable by internal electric field of the protein environment. In the case of the GFP chromophore anion, even a single hydrogen bond was shown to be capable of drastically increasing the TPA cross-section. Such high tunability of the nonlinear photophysical properties of the chromophore anions can be used for the rational design of brighter fluorescent proteins for bioimaging using two-photon laser scanning microscopy.
A generalized Turán problem and its applications

Our first theorem in this paper is a hierarchy theorem for the query complexity of testing graph properties with 1-sided error; more precisely, we show that for every sufficiently fast-growing function f, there is a graph property whose 1-sided-error query complexity is precisely f(Θ(1/ε)). No result of this type was previously known for any f which is super-polynomial. Goldreich [ECCC 2005] asked to exhibit a graph property whose query complexity is 2Θ(1/ε). Our hierarchy theorem partially resolves this problem by exhibiting a property whose 1-sided-error query complexity is 2Θ(1/ε). We also use our hierarchy theorem in order to resolve a problem raised by the second author and Alon [STOC 2005] regarding testing relaxed versions of bipartiteness. Our second theorem states that for any function f there is a graph property whose 1-sided-error query complexity is f(Θ(1/ε)) while its 2-sided-error query complexity is only poly(1/ε). This is the first indication of the surprising power that 2-sided-error testing algorithms have over 1-sided-error ones, even when restricted to properties that are testable with 1-sided error. Again, no result of this type was previously known for any f that is super polynomial. The above theorems are derived from a graph theoretic result which we think is of independent interest, and might have further applications. Alon and Shikhelman [JCTB 2016] introduced the following generalized Turán problem: for fixed graphs H and T, and an integer n, what is the maximum number of copies of T, denoted by ex(n,T,H), that can appear in an n-vertex H-free graph? This problem received a lot of attention recently, with an emphasis on ex(n,C3,C2ℓ +1). Our third theorem in this paper gives tight bounds for ex(n,Ck,Cℓ) for all the remaining values of k and ℓ.
Density field projection analysis in search for WHIM

Abstract We study the possibilities of using line-of-sight projected luminosity density and filament probability fields to find the best locations in the sky to attempt to observe the elusive Warm-Hot Intergalactic Matter (WHIM). We calculate galaxy luminosity fields on a regular grid and then project those to the plane of sky. Column densities are then found by integrating along multiple lines of sight. We also create the projections of the filament probability fields. The results are presented as sky maps of the potentially suitable areas and the corresponding fractions of sky coverage.
Intake of vitamin B12 in relation to vitamin B12 status in groups susceptible to deficiency: a systematic review

Objective To systematically review the evidence for whether habitual or different levels of experimental intake of vitamin B12 from diet and supplements is sufficient to ensure adequate B12 status in groups most susceptible to vitamin B12 deficiency. Methods We searched MEDLINE, Embase, Cochrane Central Register of Controlled Trials and Scopus up to 21 May 2021, for intervention studies, prospective cohort studies and case-control studies assessing B12 intake from diet and/or supplements in relation to B12 status (s/p-B12, holotranscobalamin, methylmalonic acid, homocysteine or breastmilk B12). Cross-sectional studies were eligible for studies conducted during pregnancy and lactation. Included populations were children (0–18 years), young adults (18–35 years), pregnant or lactating women, older adults (≥65 years) and vegans or vegetarians. Study selection, data extraction and risk of bias assessment were conducted by two assessors independently. The evidence was synthesized qualitatively and classified according to the World Cancer Research Fund. Results The searches yielded 4855 articles of which 89 were assessed in full text and 18 included. Three studies were conducted during pregnancy and three during lactation or infancy – all observational. Eight studies were conducted among older adults; most were interventions among B12-deficient participants. Four studies were eligible for vegetarian and vegans, all interventions. The strength of evidence that habitual B12 intake or an intake in line with the current Nordic recommended intake (RI) is sufficient to ensure adequate status was considered Limited – no conclusion for all included populations. Conclusion Evidence is insufficient to assess if or which level of B12 intake is sufficient to maintain adequate status for all included populations. Population-based cohort studies and low-to-moderate dose interventions that address this question are highly warranted.
Hemodynamics and Transport in Patient-specific Abdominal Aortic Aneurysms

Author(s): Arzani, Amirhossein | Advisor(s): Shadden, shawn C. | Abstract: Abdominal aortic aneurysm (AAA) is a permanent local enlargement of the abdominal aorta. Complex anatomies, presence of side branches, and pulsatility of blood flow creates a complex chaotic flow field in AAAs. The progression of AAA can lead to rupture, which is one of the leading causes of death in the elderly. In this study, the flow topology in AAAs, role of hemodynamics in AAA progression, complex vectorial wall shear stress (WSS) patterns, and near-wall transport in AAAs were investigated.Patient-specific computational fluid dynamics (CFD) was used to obtain blood flow information. Lagrangian coherent structures (LCS) were computed to study the flow physics. The utility of these structures in studying chaotic mixing and transport, flow separation, and vortex wall interaction was demonstrated in different patients. The effect of exercise on flow topology and quantitative mixing was evaluated. The evolution of a systolic vortex formed in the proximal region, strongly influenced the flow topology in the aneurysms. Intraluminal thrombus (ILT) deposition and lumen progression were quantified in several patients using magnetic resonance imaging over a 2--3 year followup. Point-wise spatial correlation of hemodynamic parameters to ILT deposition, revealed a negative correlation between oscillatory shear stress and ILT deposition. This was attributed to persistence recirculation, which can lead to unidirectional backward WSS. Complex vectorial variations in WSS was studied. Namely, variations in WSS magnitude, direction, and vector in space and time were quantified and compared. Several new WSS measures were introduced to better quantify WSS vectorial variations. The concept of Lagrangian wall shear stress structures (WSS LCS) was introduced. WSS was scaled to obtain a first order representation of near-wall velocity. Tracers representing biochemicals in thin concentration boundary layers were tracked on the aneurysm surface based on the WSS vector field. Formation of coherent structures from WSS tracers were shown. The WSS LCS organize near-wall transport in high Schmidt number flows and could be used to predict regions of high near-wall stagnation and concentration. A wall shear stress exposure time (WSSET) measure was introduced to quantify near-wall stagnation and concentration. Excellent agreement between WSSET and surface concentration obtained from 3D continuum mass transport was obtained. Finally, the important roles that WSS fixed points play in cardiovascular flows was discussed.
Analysis of Factors Affecting Job Satisfaction and Impact to Burnout on Hopsitalization Nurses in General Hospital

Burnout is a pathological syndrome in which a maladaptive emotion develops in response to prolonged work stress. One of the causes of burnout is low job satisfaction, so it can affect various aspects of work. Job related factors are usually considered acceptable for interventions or strategies to increase satisfaction. Factors from job related itself are working conditions, work autonomy, and work family conflict. Purpose: to determine the factors that influence job satisfaction on nurses at a government hospital in Pemalang Regency. Design: From the total of 160 respondents, there were 30 male respondents and 130 female respondents. The majority group of respondents was in the range of 31 - 40 years old. In terms of education, 48.8% with D3 Nursing education. 94.4% of respondents are married. On average, respondents have worked for > 5 years (85%) and 91.9% of respondents have working hours of 41 – 59 hours/week. The results show that job satisfaction is proven to have negative effects on burnout. Result: The result model (empirical model) of this study is known to have substantial small predictive accuracy (R2) and medium predictive relevance (Q2) on burnout as the predicted dependent variable. Conclusion: Therefore, it can be concluded that the antecedents of job satisfaction in this research model can adequately predict job satisfaction variables. Thus, this research model can be suggested to be replicated and tested further in other nurse populations at other hospitals that are potential for future research.
Concurrent Aerobic and Strength Training with Caloric Restriction Reduces Insulin Resistance in Obese Premenopausal Women: A Randomized Controlled Trial

Background and Objectives: Obese premenopausal women are at high risk of developing insulin resistance (IR). Concurrent aerobic and strength training (CAST) has been shown to provide remarkable advantages, yet its effects, along with caloric restriction in such a high-risk population, are not yet established. This study aimed to investigate the impact of concurrent aerobic and strength training with caloric restriction (CAST-CR) on IR in obese premenopausal women. Materials and Methods: Forty-two obese premenopausal women with reported IR, aged 40–50 years, were randomly allocated to either the (CAST-CR) intervention group, who underwent CAST with caloric restriction, or the (AT-CR) control group, who received aerobic training in addition to caloric restriction. Both groups completed 12 weeks of controlled training with equivalent training time. Aerobic training began at 60% and gradually progressed to achieve 75% of the maximum heart rate, while strength training was executed at 50% to 70% of the one-repetition maximum (1RM). Anthropometric measures, abdominal adiposity, metabolic parameters, and homeostasis model assessment-estimated insulin resistance (HOMA-IR) were evaluated prior to and following the intervention. Results: Both groups experienced a substantial enhancement in the selected parameters compared to the baseline (p < 0.001), with higher improvement within the CAST-CR group. The changes in HOMA-IR were −1.24 (95%CI, −1.37 to −1.12) in the CAST-CR group vs. −1.07 (95%CI, −1.19 to −0.94) in the AT-CR group. Conclusions: While AT-CR improved insulin sensitivity in premenopausal women who were obese and hyperinsulinemic, CAST with calorie restriction improved insulin sensitivity more significantly, suggesting it as a preferable alternative.
Ge/SiGe for silicon photonics

Near-infrared Ge photonic devices on a Si platform are presented toward low-cost, low-energy and high-capacity optical communications. Using Ge epitaxial layers selectively grown by chemical vapor deposition on Si-on-insulator layers, Ge photodiodes (PDs) of vertical pin structures are integrated with Si optical waveguides. The integrated Ge PDs show high responsivities as large as 0.8 A/W at 1.55 μm with the 3-dB cutoff frequency more than 10 GHz. SiGe/Ge heterostructures have potential applications to higher-performance devices. One application is to low-noise and low-voltage avalanche photodiodes (APDs), where a SiGe layer is inserted at the interface between the optical absorption layer of Ge and the carrier-multiplication layer of Si or Ge. The band discontinuity at the interface enhances the impact ionization for photo-generated carriers injected via SiGe. Fabricated APDs show an enhanced multiplication gain. The other application of SiGe is to a stressor to control the direct bandgap of Ge. As a proof of concept, a tensile-strained Si0.2Ge0.8 overlayer is shown to induce a compressive stress in the underlying Ge mesa stripe, leading to a blue shift in the absorption edge of Ge.
Service Quality and Trust as Predictors of Online Purchasing Decisions Mediated by Perceived Risk

Online purchasing decision-making is currently faced with a lack of trust from consumers as a result of the inability of marketers to deliver services satisfactorily, which results in the emergence of risk perceptions in purchases. This study aimed to determine how the effect of seller service quality and consumer confidence on perceived risk and how they influence purchasing decisions. Another goal is to determine the role of perceived risk as an intervening variable. The design of this study was a cross-sectional survey of respondents in the city of Serang and its surroundings. The sampling technique used is purposive sampling. The survey used the Google form with a total of 129 respondents. The analysis method uses descriptive and inferential statistics and SMART PLS software is used for data processing. The results showed a significant negative effect of service quality on perceived risk and a significant negative effect of perceived risk on online purchasing decisions. Perceived risk is an intervening variable from consumer confidence to online purchasing decisions. Online purchasing can be enhanced by increasing trust and service and reducing perceived risk.
Spatial–spectral hyperspectral classification using local binary patterns and Markov random fields

Abstract. Local binary patterns (LBPs) have been extensively used to yield spatial features for the classification of general imagery, and a few recent works have applied these patterns to the classification of hyperspectral imagery. Although the conventional LBP formulation employs only the signs of differences between a central pixel and its surrounding neighbors, it has been recently demonstrated that the difference magnitudes also possess discriminative information. Consequently, a sign-and-magnitude LBP is proposed to provide a spatial–spectral class-conditional probability for a Bayesian maximum a posteriori formulation of hyperspectral classification wherein the prior probability is provided by a Markov random field. Experimental results demonstrate that the performance of the proposed approach is superior to that of other state-of-the-art algorithms, tending to result in smoother classification maps with fewer erroneous outliers even in the presence of noise.
Adherence to African-Centered Norms and Help Seeking for Emotional Distress Among Black Men

Research demonstrates that Black American men are significantly less likely to seek help for mental distress than other gendered or racial groups. Yet, Afrocentric theorists propose that African cultural norms of interdependence may serve as important facilitators in promoting mental health in Black populations. This study explored how Ubuntu—an African construct expressing adherence to principles of compassion, interdependence, and humanism—is associated with help-seeking perceptions among Black men. Results from surveying 300 participants recruited using social media, showed that Black men with higher acceptance toward African cultural norms reported higher inclination to seek mental health services for emotional distress. Implications for future research and practice to improve uptake of mental health services of Black men are provided.
New chromatic numbers in open problems

Let G be a finite connected graph (with the set of vertices V (G) and the set of edges E(G)) endowed with the path metric d (d(u, v) is the length of a shortest path between u and v). A path u0, u1, . , un is geodesic if d(u0, vn) = n. The diam(G) is the maximal distance between two vertices of G. For a graph G and a natural number r, we define r-pathE(G) :=maximal p such that, for every r-coloring of E(G), there is an edgemonochrome path of length p; r-pathV (G) :=maximal p such that, for every r-coloring of V (G), there is a vertexmonochrome path of length p; r-diamE(G) :=maximal p such that, for every r-coloring of E(G), there is an edgemonochrome geodesic path of length p; r-diamV (G) :=maximal p such that, for every r-coloring of V (G), there is a vertexmonochrome geodesic path of length p. Replacing colorings of E(G) with orientations, we get −−→ path(G) :=maximal p such that, for any orientation of E(G), there is a directed path of length p; −−−→ diam(G) :=maximal p such that, for any orientation of E(G), there is a directed geodesic path of length p. We recall that the chromatic number χ(G) is the minimal r such that there is an r-coloring of V (G) with no monochrome incident vertices. If r ≥ χ(G) then r-pathV (G) = 0. Each r-coloring of V (G) define the natural r(r+1) 2 -coloring of E(G): each edge is colored in colors of its ends. If r(r+1) 2 ≥ χ(G) then r(r+1) 2 -pathE(G) = 1. It seems, there are no direct correlation between pathV (G) and pathE(G). For a graph G, the line graph LG is a graph with the set of vertices E(G) in which two vertices are incident if and only if corresponding edges are incident in G. Clearly, r-pathV (LG) ≥ r-pathE(G).
CHaMP: From Molecular Clouds to Massive Young Clusters

Abstract I review the major science outcomes to date of the Galactic Census of High- and Medium-mass Protostars (CHaMP), and also report the latest observational results on this unbiased, uniform sample of massive, cluster-forming molecular clumps, based on new mm-wave and IR data. These clouds represent the vast, subthermally-excited population of clumps predicted by Narayanan et al. (2008) to dominate the molecular mass of disk galaxies. Besides confirming their existence, we have presented evidence that these massive clumps probably spend a large fraction (90–95%) of their long lives (possibly up to 100 Myr) in a mostly quiescent, low star formation rate (SFR) state. This is likely ended when a density or internal pressure threshold is crossed, after which vigorous, massive cluster formation consumes the densest gas with a high SFR, dispersing the embedding envelope. New results presented in two other posters at this Symposium include (1) the first analysis of HCN emission from the dense gas (Schap et al. 2015), and (2) the first deep photometry of clusters in this sample based on NIR AAT & CTIO data, and on MIR Warm Spitzer IRAC data (Dallilar et al. 2015).
Adolescents' experiences of Help Overcoming Pain Early—A school based person‐centred intervention for adolescents with chronic pain

To illuminate adolescents' experiences of Help Overcoming Pain Early (HOPE), a person‐centred intervention delivered in a school setting by school nurses. Twenty‐one adolescents with chronic pain recruited from secondary school, who had completed the HOPE intervention, were included in the interview study. The HOPE intervention was built on person‐centred ethics and consisted of four meetings between school nurses and adolescents on the subject of stress and pain management. A qualitative method using content analysis with an inductive approach was employed. In the interviews, the adolescents describe how they reclaim their lives with the help of HOPE. They use different strategies and parts of the intervention to move on with their lives. A trustful relationship, as that with the school nurse, was essential to dare to change. The overarching theme summarizes in Becoming myself again and is built up by three sub‐themes: Trust a pillar for growth, Making sense of my life with pain, and Putting myself into the world again. A person‐centred intervention such as HOPE applied in a school context is promising for promoting confidence in adolescents with chronic pain. A trust‐building process emerged, in terms of both the adolescents' trust in the healthcare staff they meet and their confidence in their own ability to handle and influence their situation, which in the long term can promote trust in themselves as a person.
Thermoacoustic instability as mutual synchronization between the acoustic field of the confinement and turbulent reactive flow

Thermoacoustic instability is the result of a positive coupling between the acoustic field in the duct and the heat release rate fluctuations from the flame. Recently, in several turbulent combustors, it has been observed that the onset of thermoacoustic instability is preceded by intermittent oscillations, which consist of bursts of periodic oscillations amidst regions of aperiodic oscillations. Quantitative analysis of the intermittency route to thermoacoustic instability has been performed hitherto using the pressure oscillations alone. We perform experiments on a laboratory-scale bluff-body-stabilized turbulent combustor with a backward-facing step at the inlet to obtain simultaneous data of acoustic pressure and heat release rate fluctuations. With this, we show that the onset of thermoacoustic instability is a phenomenon of mutual synchronization between the acoustic pressure and the heat release rate signals, thus emphasizing the importance of the coupling between these non-identical oscillators. We demonstrate that the stable operation corresponds to desynchronized aperiodic oscillations, which, with an increase in the mean velocity of the flow, transition to synchronized periodic oscillations. In between these states, there exists a state of intermittent phase synchronized oscillations, wherein the two oscillators are synchronized during the periodic epochs and desynchronized during the aperiodic epochs of their oscillations. Furthermore, we discover two different types of limit cycle oscillations in our system. We notice a significant increase in the linear correlation between the acoustic pressure and the heat release rate oscillations during the transition from a lower-amplitude limit cycle to a higher-amplitude limit cycle. Further, we present a phenomenological model that qualitatively captures all of the dynamical states of synchronization observed in the experiment. Our analysis shows that the times at which vortices that are shed from the inlet step reach the bluff body play a dominant role in determining the behaviour of the limit cycle oscillations.
An Evolvable Artificial Chemistry Featuring Continuous Physics and Discrete Reactions

This paper describes an artificial chemistry featuring atoms and molecules moving and colliding in a continuous manner in a viscous fluid filling a 2D cellular space. Chemical reactions are mappings of discrete cellular configurations to parameterized actions on atoms. Actions allow atom creation and destruction, bonding and unbonding to make and break molecules, orientation, type change, and propulsion. Actions are easily added in this extensible model. An example involving a complex “foraging” reaction is provided as a demonstration of the capabilities of the framework. The reaction rules can be evolved by a genetic algorithm to exhibit a desired set of reactions. A portion of the foraging reaction was evolved to demonstrate this.