Miracle-dz/UniFAR-FTUs huggingface dataset:
Exciton CD Couplet Arising From Nitrile-Derivatized Aromatic Residues as a Structural Probe of Proteins

Exciton coupling between two chromophores can produce a circular dichroism (CD) couplet that depends on their separation distance, among other factors. Therefore, exciton CD signals arising from aromatic sidechains, especially those of tryptophan (Trp), have been used in various protein conformational studies. However, the long-wavelength component of the commonly used CD couplet produced by a pair of Trp residues is typically located at around 230 nm, thus overlapping significantly with the protein backbone CD signal. This overlap often prevents a direct and quantitative assessment of the Trp CD couplet in question without further spectral analysis. Herein, we show that this inconvenience can be alleviated by using a derivative of Trp, 5-cyanotryptophan (Trp CN ), as the chromophore. Specifically, through studying a series of peptides that fold into either an α -helical or β -hairpin conformation, we demonstrate that in comparison to the Trp CD couplet, that arising from two Trp CN residues is not only significantly red-shifted, but also becomes more intense due to the larger extinction coefficient of the underlying electronic transition. In addition, we show that a pair of p-cyano-phenylalanines (Phe CN ) or a Phe CN -Trp CN pair can also produce a distinct exciton CD couplet that is useful in monitoring protein conformational changes.
Experimental Analysis of Dielectric Barrier Discharge Plasma Actuators Thermal Characteristics Under External Flow Influence

Dielectric barrier discharge (DBD) plasma actuators have several applications within the field of active flow control. Separation control, wake control, aircraft noise reduction, modification of velocity fluctuations, or boundary layer control are just some examples of their applications. They present several attractive features such as their simple construction, very low mass, fast response, low power consumption, and robustness. Besides their aerodynamic applications, these devices have also possible applications within the field of heat transfer, for example film cooling applications or ice formation prevention. However, due to the extremely high electric fields in the plasma region and consequent impossibility of applying classic intrusive techniques, there is a relative lack of information about DBDs thermal characteristics. In an attempt to overcome this scenario, this work describes the thermal behavior of DBD plasma actuators under different flow conditions. Infra-red thermography measurements were performed in order to obtain the temperature distribution of the dielectric layer and also of the exposed electrode. During this work, we analyzed DBD plasma actuators with different dielectric thicknesses and also with different dielectric materials, whose thermal behavior is reported for the first time. The results allowed to conclude that the temperature distribution is not influenced by the dielectric thickness, but it changes when the actuator operates under an external flow. We also verified that, although in quiescent conditions the exposed electrode temperature is higher than the plasma region temperature, the main heat energy dissipation occurs in the dielectric, more specifically in the plasma formation region.
Sustainable supply chain collaboration: incentives in emerging economies

Purpose The purpose of this paper is to investigate the relationship between sustainable supply chain collaboration (SSCC) and sustainability performance, and examine whether two types of incentives moderate this relationship. This empirical investigation of the Thai food manufacturing industry provides insight in the context of an emerging economy. Design/methodology/approach Survey data were collected from 215 food manufacturing firms in Thailand, and the hypotheses were tested by exploratory factor analysis, hierarchical regression analysis, and cluster analysis. Findings The results indicate that SSCC leads to better economic and social performance, but not necessarily better environmental performance; incentives provided by firms in the supply chain enhance the effects of SSCC on social performance. Practical implications The findings provide useful suggestions for supply chain managers and policy makers about effective collaboration and the use of incentives to improve the sustainability of individual firms in the supply chain. They also reveal the challenges faced by manufacturing firms in improving environmental performance in an emerging economy. Originality/value This study contributes to the literature on the implementation of sustainable supply chain management by explaining the role of incentives.
Comparison of integrated and composed step-down converter in terms of EMC

Stabilized voltage sources, even linear or working on a switching principle, are an integral part of almost all electronic devices. Hand in hand with the pressure of environmental protection, there comes an emphasis on reducing energy consumption, resulting in preference of switching solutions. On the other hand, considering the issues on electromagnetic compatibility, each switching-mode operated power source produces considerable amount of interferences. In the framework of the hereby described experiment, the authors of the paper tested several voltage sources operating on the switching principle. This paper provides a description of the experiment and the obtained results.
Long-term memory of visually cued fear conditioning: roles of the nNOS gene and CREB

Nitric oxide (NO) produced by neuronal nitric oxide synthase (nNOS) has a role in late-phase long-term potentiation (LTP) and long-term memory (LTM) formation. Our recent studies implicated NO signaling in contextual and auditory cued fear conditioning. The present study investigated the role of NO signaling in visually cued fear conditioning. First, visually cued fear conditioning was investigated in wild-type (WT) and nNOS knockout (KO) mice. Second, the effects of pharmacological modulators of NO signaling on the acquisition of visually cued fear conditioning were investigated. Third, plasma levels of corticosterone were measured to determine a relationship between physiological and behavioral responses to fear conditioning. Fourth, levels of ERK1/2 and CREB phosphorylation, downstream of NO signaling, were determined in the amygdala as potential correlates of fear learning. Mice underwent single or multiple (4) spaced trainings that consisted of a visual cue (blinking light) paired with footshock. WT mice acquired cued and contextual LTM following single and multiple trainings. nNOS KO mice acquired neither cued nor contextual LTM following a single training; however, multiple trainings improved contextual but not cued LTM. The selective nNOS inhibitor S-methylthiocitrulline (SMTC) impaired cued and contextual LTM in WT mice. The NO donor molsidomine recovered contextual LTM but had no effect on cued LTM in nNOS KO mice. Re-exposure to the visual cue 24h posttraining elicited freezing response and a marked increase in plasma corticosterone levels in WT but not nNOS KO mice. The expression of CREB phosphorylation (Ser-133) was significantly higher in naïve nNOS KO mice than in WT counterparts, and pharmacological modulators of NO had significant effects on levels of CREB phosphorylation and expression. These findings suggest that visual cue-dependent LTM is impaired in nNOS KO mice, and aberrant modulation of CREB in the absence of the nNOS gene may hinder cued and contextual LTM formation.
Conseqüências dos erros de medicação em unidades de terapia intensiva e semi-intensiva

This report was aimed at characterizing medication errors and evaluating their consequences for the patients' conditions and for the nursing workload in the Intensive Care Units (ICU) and Semi-Intensive Care Units (SICU) of two hospitals in the city of Sao Paulo. The sample was 50 patients, and data was gathered in record logs. The severity of the conditions and the nursing work-load were assessed before and after the occurrence. Out of a total of 52 medication errors, 12 (23.80%), were non-administration of dosage, 11 (21.15%) were wrong medication, and 9 (17.31%) excessive dosage. There were no changes in patient conditions (p=0.316), but the nursing workload increased (p=0.009). As for the medication group, i.e, potentially dangerous or non-dangerous, there were no statistically significant differences either in the severity of the patients (p=0.456) or in the nursing workload (p=0.264) after the occurrence.
Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from S. cerevisiae †

Nicotinamidases catalyze the hydrolysis of nicotinamide to nicotinic acid and ammonia. Nicotinamidases are absent in mammals but function in NAD + salvage in many bacteria, yeast, plants, protozoa, and metazoans. We have performed structural and kinetic investigations of the nicotinamidase from S. cerevisiae (Pnc1). Steady-state product inhibitor analysis revealed an irreversible reaction where ammonia is the first product released, followed by nicotinic acid. A series of nicotinamide analogs acting as inhibitors or substrates were examined revealing that the nicotinamide carbonyl oxygen and ring nitrogen are critical for binding and reactivity. X-ray structural analysis revealed a covalent adduct between nicotinaldehyde and Cys167 of Pnc1 and coordination of the nicotinamide ring nitrogen to the active-site zinc ion. Using this structure as a guide, the function of several residues was probed via mutagenesis and primary 15 N and 13 C kinetic isotope effects (KIE) on V/K for amide bond hydrolysis. The KIE values of almost all variants were increased indicating that C-N bond cleavage is at least partially rate limiting; however, a decreased KIE for D51N was observed indicative of a higher commitment to catalysis. In addition, KIE values using slower alternate substrates indicated that C-N bond cleavage is at least partially rate limiting with nicotinamide to highly rate limiting with thionicotinamide. A detailed mechanism is discussed involving nucleophilic attack of Cys167, followed by elimination of ammonia and then hydrolysis to liberate nicotinic acid. These results will
Prospective Reciprocal Relations between Physical Activity and Depression in Adolescent Females

Objective— Although research has found an inverse correlation between physical activity and depression among adolescents, few studies have examined this relation prospectively. Thus, we tested whether physical activity reduces risk for future escalations in depression and whether depression decreases likelihood of future change in physical activity. Method— Data from a longitudinal study involving annual assessments of 496 adolescent girls (M age = 13, SD 0.7) followed over a 6-year period were analyzed to address these questions. Results— Physical activity significantly reduced risk for future increases in depressive symptoms and risk for onset of major/minor depression and depressive symptoms and major/minor depression significantly reduced future physical activity, controlling for several covariates, though predictive effects were modest. Conclusions— Results support a bidirectional relation between exercise and depression and imply that interventions that increase physical activity may reduce risk for depression among this high-risk population.
CHARACTERIZATION OF SOIL ORGANIC CARBON FUNCTIONAL GROUPS AS INFLUENCED BY CONTINUOUS FERTILIZATION AND CROPPING OF FINGER MILLET ( ELEUSINE CORACANA) – MAIZE (ZEA MAYS L.) CROPPING SEQUENCE USING FT-IR SPECTROSCOPY

Soil organic carbon (SOC) is a factor for soil quality changes and continuous intensive cropping may change the soil organic matter (SOM) over the years. Characterization of SOC and its functional groups show the evidence of recalcitrant nature of SOM without oxidation under long run fertilization and manuring in sandy clay loam soil. Infrared Fourier transform spectroscopy (FT-IR) measures the absorbance of infrared radiation (4000 - 400 cm -1 ) by bonds expressing dipole moments (e.g., C-O, C = O, C = C, C-H, N-H) in functional groups that constitute SOM. Irrespective of the treatments, 100% NPK + FYM has recorded the highest transmittance intensity of hydrophilic bond of carboxyl (C = O;1698 - 1701 cm -1 ) carbonyl (3500 3200 cm -1 and 1400 cm -1 ), aromatic benzenes (C = C;1650 cm -1 ), alkenes (C-H; 2922 - 2926 cm -1 ), S-S (500 - 400 cm -1 ), and P = S (800 - 580 cm -1 ) bonds. Addition of manures and mineral fertilizers have increased the SOC stock, SOC sequestration, Humic acid (HA), Fulvic acid (FA), welt ratio of HA and FA, soil microbial biomass carbon (SMBN) and soil microbial biomass nitrogen (SMBN) in the long run. The continuous application of mineral fertilizer as well as FYM over four decades have increased the more stable organic carbon compared to control. characterize continuous cropping millet
Project of a cogeneration system using biogas Projeto cogeração usando biogás

Brazil has been among the countries with the cleanest energy matrix in the world. The country showed high growth rates on its economy during the first years of the 21 st century, which brought a rapid demand for energy supply. Recently, the situation got worse with long dry seasons, resulting on the use of several thermoelectric plants, with high energy costs and increased GHG emissions. The discussed study involves the design of a biogas cogeneration system for the Federal University of São Carlos. The considered biomass originates from the campus itself and is composed of organic waste. The proposed system consists of a modified diesel engine, accoupled to an electric generator and three heat exchangers, which could archive a monthly production of electricity of 7.7 MWh with a power of 30 kW. The monthly production of thermal energy would be 9,8 MWh with a power of 37.6 kW. The costs are quoted adding up to R$ 211,237.00 for the complete system. The annual savings with the system is estimated at R$ 91,126.40, reaching an amortization time of two years and four months.
Appendix for Exploring Forensic Dental Identiﬁcation with Deep Learning

We apply the domain-speciﬁc augmentations of ( i ) random tooth reduction, ( ii ) random artifact addition, ( iii ) random rigid patch transform, as well as ( iv ) random contrast shifting and Gaussian noise for instance discriminative learning. The DSA is enabled by the anatomical awareness, and its parameters are set by working with dentists to best follow the possible clinical cases. In speciﬁc, for random tooth reduction, one tooth area is set to the background intensity according to the tooth mask from semantic segmentation. The background intensity is determined by the average intensity of the non-teeth area. For random artifact addition, two types of artifacts are included: braces and dental ﬁlling. In terms of braces, they are modeled as squares mounted at the top [60%, 80%] of the height of a tooth, the length of whose side is set as the 60% of the tooth’s width; In terms of dental ﬁlling, an area that takes up an area of [30%, 80%] of a tooth height is ﬁlled. For both brace and dental ﬁlling, a foreground intensity within [220, 256] is randomly selected. For random rigid patch transform, a rotation angle of [-10, 10] degree and displacements of [-15, 15] pixels along x and y axis are set, which represent the common range of transform for orthodontics. For random contrast shifting, the instance intensity is scaled with a random factor from [0.6, 1.4] relative to the instance’s mean intensity, and it is clipped to preserve the original intensity range. For random Gaussian noise, the noise mean and std are set to 0 and 0.1 of the maximum intensity of a patch. All the augmentations are stochastically performed on the ﬂy, and independently for each input attention patch or a whole scan (as in baseline
Adoption of AI in the Auditing Practice: A Case study of a Big Four Accounting Firm

This paper explores and explains key factors influencing the adoption of Artificial Intelligence (AI) in the auditing practice by a Big Four accounting firm, through the lens of the technology-organisation-environment (TOE) framework. Using the case study method, we conducted semi-structured interviews with decision-makers of the firm, complemented by secondary data. The findings showed that the firm’s adoption process was influenced by technology affordance, technology barriers, communication process, linking agents, firm scope and readiness, regulatory environ ment, and predicted industrial changes. This study will contribute to the literature by providing a better understanding of AI adoption at the firm level. It may strengthen the theories that underpin our understanding of the technology adoption, elaborating the TOE framework with more empirical evidence. The practical contribution to the auditing profession is that firms can use the knowledge to evaluate whether the functionality of AI fits into their firm’s context and external environment.
AGNOSTIC NOTES ON REGRESSION ADJUSTMENTS TO EXPERIMENTAL DATA: REEXAMINING FREEDMAN’S CRITIQUE

critiqued ordinary least squares regression adjustment of estimated treatment effects in randomized experiments, using Neyman’s model for randomization inference. Contrary to conventional wisdom, he argued that adjustment can lead to worsened asymptotic precision, invalid measures of precision, and small-sample bias. This paper shows that in sufﬁciently large samples, those problems are either minor or easily ﬁxed. OLS adjustment cannot hurt asymptotic precision when a full set of treatment–covariate interactions is included. Asymptotically valid conﬁdence intervals can be constructed with the Huber–White sandwich standard error estimator. Checks on the asymptotic approximations are illustrated with data from Angrist, Lang, and Oreopoulos’s [ Am. Econ. J.: Appl. Econ. 1:1 (2009) 136–163] evaluation of strategies to improve college students’ achievement. The strongest reasons to support Freedman’s preference for unadjusted estimates are transparency and the dangers of speciﬁcation search.
Are migrants and their families happier after migration?

By comparing migrants to matched potential migrants with similar characteristics of their country of origin using Gallup World Poll data, it is estimated that migrants worldwide assess the quality of their lives on average 9% more positive after migration. They also experience approximately 5% more positive emotions and 7% less negative emotions due to migration. Most of these happiness gains are experienced within the first five years after migration. Families left behind generally evaluate their lives more positively, but frequently experience more negative emotions.
Knowledge Sharing Challenges in University-NGO Collaborative Project

This research is based on a qualitative approach with in-depth case study using Nonaka’s theory of knowledge creation. It addresses the high-level need to make collaboration more effective between university and NGO by exploring knowledge sharing challenges. It used semi-structured interviews, and project documentation to look at the ways in which researchers and NGO representatives with different culture within University-NGO partnerships share information and knowledge. The study will propose guidelines that reflect five key steps which are important in order to show how collaborative projects can build a successful knowledge sharing environment.
Estimation of hydraulic properties of vertically heterogeneous forest soil from transient matric pressure data

Conventional methods for determining the hydraulic properties of unsaturated soil are laborious and time consuming. Although the inverse method can be an effective alternative, it occasionally produces nonunique solutions. The problem becomes more difficult when the inverse method is applied to vertically heterogeneous soil profiles. This study evaluated the method proposed by Kosugi and Nakayama, which estimates retention and hydraulic conductivity functions simultaneously for each horizontal layer of a vertically heterogeneous soil using transient matric pressure profiles. Artificial rainfall experiments were conducted on an undisturbed forest soil sample, and 14 unknown parameters that are contained in both retention and conductivity functions were estimated for seven layers. The estimated hydraulic properties corresponded well with those measured using conventional methods. Various initial parameter guesses converged at very similar final parameters, indicating the unique, stable solution. In addition, the effects of model selection, the soil pore tortuosity parameter, and experimental errors on the estimation results are discussed.
In vitro evaluation of antimicrobial e(cid:27)ects of Citrus limonum essential oil on some endodontic pathogens

Aim: To investigate the antimicrobial e(cid:27)ects of Citrus limonum and calcium hydroxide comparatively and to evaluate MIC, MBC, and MFC levels for some microorganismal strains of the root canal microbial (cid:29)ora. Materials and Methods: Enterococcus faecalis, Candida albicans, Staphylococcus au- reus, Streptococcus mutans, and Escherichia coli standard strains were used. Microorganisms were cultivated and used for the evaluation of the antimicrobial e(cid:27)ect of the di(cid:27)erent concentrations of the C.limonum and calcium hydroxide using disc di(cid:27)usion and agar well di(cid:27)usion methods. Then MIC, MBC, and MFC values were recorded. Results: Wider inhibition zones were obtained for C.limonum essential oil compared to calcium hydroxide. In the agar well di(cid:27)usion method, while the widest inhibition zone was obtained for C.albicans, the narrowest inhibition zone was observed for E.faecalis for C.limonum. For calcium hydroxide, the widest inhibition zone was in C.albicans cultures, however, the narrowest inhibition zone was observed for S.mutans. In the agar disc dif- fusion method, the widest inhibition zone was observed for C.albicans, and the narrowest inhibition zone was spotted in S.aureus for Citrus limonum. For calcium hydroxide, while the widest inhibition zone again reached for C.albicans, the narrowest inhibition zone was found for E.faecalis. The lowest MIC and MBC value for Citrus limonum was observed in S.mutans. For calcium hydroxide, the lowest MIC and MBC values were recorded for S.aureus, E.coli, and S.mutans. Conclusion: Data in experimental conditions showed that C.limonum essential oil may be an alternative candidate, and superior to calcium hydroxide in terms of antimicrobial activity for all chosen members of intracanal (cid:29)ora. 4.0 License.
Solidarity and A.I. for Transitioning to Crowd Work during COVID-19

Due to the COVID-19 pandemic, a number of gig workers who engaged in location-based gig work (e.g., Taskrabbit, Care.com, or Wag) have had to transition to new jobs that are independent of location (e.g., online freelancing or crowd work). However, this has been a difﬁcult transition. Espe- cially because in this new environment, gig workers now have to compete globally for work, and they also have to focus on work interactions that are primarily online (instead of gig work that takes place within speciﬁc physical locations or within in-person meetings). In this paper, we build on our extensive research on gig work, gig literacy and the design of crowdsourcing systems, to present an intelligent architecture for helping workers transition to new gig jobs in times of global crisis. Our intelligent architecture uses machine learning and draws on collective action theory to introduce “Sol- idarity Brokers. ” Our Solidarity Brokers are computational mechanisms that identify the best ways to build solidarity be- tween workers with the purpose of mobilizing workers to help each other transition to new jobs. We ﬁnish by presenting a brief research agenda for intelligent tools that facilitate work transitions during the global pandemic and beyond.