Miracle-dz/UniFAR-FTUs huggingface dataset:
Identification of novel potential inhibitor of thymidylate kinase from Variola virus

Abstract A hit compound was designed using Fragment Based Drug Designing (FBDD) approach, density functional theory (DFT) calculations were performed to find the structural and electronic properties. Additionally, pharmacokinetic properties were studied to understand the biological response of the compound. Docking studies were carried out with the protein structure of VrTMPK and HssTMPK with the reported hit compound. The favored docked complex was further carried to perform MD simulations; the RMSD plot and H-bond analysis was done for 200 ns. Also, MM-PBSA was done to understand the binding energy constituents and stability of the complex. A comparative study of the designed hit compound was done with FDA approved Tecovirimat. As a result, it was found that the reported compound (POX-A)is a potential selective inhibitor for Variola virus. Hence, it can be used to study further in vivo and in vitro behavior of the compound. Communicated by Ramaswamy H. Sarma
The investigation of reduced field-of-view diffusion-weighted imaging (DWI) in patients with nasopharyngeal carcinoma: comparison with conventional DWI

Background Field-of-view optimized and constrained undistorted single-shot imaging (FOCUS) is a new sequence that shows enhanced anatomical details, improving the diffusion-weighted (DW) images. Purpose To investigate the value of FOCUS diffusion-weighted imaging (DWI) in the evaluation of nasopharyngeal carcinoma (NPC) and compare it with the single-shot echo planner imaging (SS-EPI) DWI approach. Material and Methods A total of 87 patients with NPC underwent magnetic resonance imaging, including FOCUS and SS-EPI DWI sequences. The signal-to-noise ratio (SNR), signal-intensity ratio (SIR), contrast-to-noise ratio (CNR), and apparent diffusion coefficient (ADC) values of the nasopharyngeal lesions were measured and compared. According to the clinical stages of patients, T and N were divided into early and advanced stage groups, respectively. The mean ADC values of the two techniques were computed, and the area under the curve (AUC) was estimated to calculate the diagnostic efficiency. Results Subjective and objective image qualitative values of FOCUS were significantly higher than those of SS-EPI. The ADC values for FOCUS of early T and N stages were significantly lower than those of the advanced stages. Conclusion FOCUS provides significantly better image quality in NPC compared to SS-EPI, with lower ADC values for early-stage disease than late-stage disease.
Polyunsaturated fatty acids and rumen undegradable protein alter ruminal fermentation and milk fatty acid profiles in dairy cows

ABSTRACT The present study evaluated the effects of incorporating polyunsaturated fatty acid (PUFA)- and rumen undegradable protein (RUP)-enriched feeds on ruminal fermentation, methane production, milk yield and milk FA profiles in dairy cows. Experiment 1 was carried out on 12 multiparous HF dairy cows in mid-lactation (106 ± 18.6 days in milk, 13.1 ± 1.67 kg/d of milk). Environmental conditions throughout the experiment were 34.5 ± 1.9 8°C, 58.0 ± 2.65% relative humidity and 85.7 ± 2.71 temperature–humidity index. Cows (n = 6/group) were randomly allocated to a control diet (Ctrl) consisting of corn silage and concentrate (F:C 60:40) containing 27.2% RUP in the crude protein (CP) or a treatment diet (Trt) consisting of 58.3% corn silage, 29.6% concentrate, 3.24% roasted soybean meal, 5.82% corn dried distiller grains with solubles and 3% added oil, which contained linseed, sunflower and tuna crude oil (1:1:1, wt/wt). The Trt diet contained 35.0% RUP in the CP. Experiment 2 was conducted in vitro using ruminal fluid collected from three Holstein Friesian dairy cows. The experimental design and diets were the same as in Exp. 1. Dry matter intake (DMI) tended to be lower (P = 0.06) in the Trt group. No difference in milk yield was detected, but the lower (P < 0.01) milk fat was measured in the Trt group (2.82% vs. 3.81%). Feed efficiency (milk/DMI) tended to be greater (P = 0.06) in the Trt cows (1.08 vs. 0.88). Lower 18:0 (5.73% vs. 8.29%), but greater concentrations of c9,t11 CLA (1.88% vs. 0.34%), c9,c12 18:2 (1.55% and 0.69%) 18:3n-3 (0.30% vs. 0.12%) and 22:6n-3 (0.17% vs. 0%) were detected in milk fat of cows fed Trt (P < 0.01). Atherogenicity and thrombogenic indices were lower (P < 0.01) with Trt. Concentrations of ruminal total volatile fatty acids and methane, which was assessed by production of volatile fatty acids, were 10.2% and 11.7% lower P < 0.01) in the Trt group. In conclusion, incorporating PUFA- and RUP-high feeds in lactating cow diets in the tropics causes a reduction in concentrations of ruminal VFA, methane production and milk fat while improving aspects of milk quality without affecting milk production.
Effectiveness and long-term stability of outpatient cognitive behavioural therapy (CBT) for children and adolescents with anxiety and depressive disorders under routine care conditions

Abstract Background: Randomised controlled trials (RCTs) have provided considerable evidence for the short-term efficacy of cognitive behavioural therapy (CBT) in children and adolescents with depressive and anxiety disorders. However, the effectiveness and long-term stability of treatment effects under routine care conditions remain unproven. Aims: This observational study investigates the effectiveness and stability of CBT under routine care conditions within a large sample of clinically referred youth with depressive and anxiety disorders. Method: Two hundred and twenty former patients (age 6–18 years at start of treatment) underwent a follow-up assessment (follow-up interval: M=5.3 years, SD=2.47). Parent and self-ratings of behavioural and emotional problems were obtained at the beginning and end of treatment and at follow-up. Additionally, at follow-up, a telephone interview and questionnaires exploring other mental symptoms and life satisfaction were administered. Results: A repeated measures ANOVA yielded statistically significant, medium to large pre– post symptom reductions (ηp 2=.15 to ηp²=.47) and small to medium post-follow-up symptom reductions (ηp²=.03 to ηp²=.19). At follow-up, between 57 and 70% of the sample reported a decrease in different emotional symptoms since the end of treatment, and 80% reported improved life satisfaction. Conclusions: These findings provide evidence for the effectiveness and stability of treatment effects of CBT in youth with depressive and anxiety disorders under routine care conditions. Due to the lack of a direct control condition and a substantial proportion of missing data, the results must be interpreted with caution.
Multi-echo gradient echo pulse sequences: which is best for PRFS MR thermometry guided hyperthermia?

Abstract Purpose MR thermometry (MRT) enables noninvasive temperature monitoring during hyperthermia treatments. MRT is already clinically applied for hyperthermia treatments in the abdomen and extremities, and devices for the head are under development. In order to optimally exploit MRT in all anatomical regions, the best sequence setup and post-processing must be selected, and the accuracy needs to be demonstrated. Methods MRT performance of the traditionally used double-echo gradient-echo sequence (DE-GRE, 2 echoes, 2D) was compared to multi-echo sequences: a 2D fast gradient-echo (ME-FGRE, 11 echoes) and a 3D fast gradient-echo sequence (3D-ME-FGRE, 11 echoes). The different methods were assessed on a 1.5 T MR scanner (GE Healthcare) using a phantom cooling down from 59 °C to 34 °C and unheated brains of 10 volunteers. In-plane motion of volunteers was compensated by rigid body image registration. For the ME sequences, the off-resonance frequency was calculated using a multi-peak fitting tool. To correct for B0 drift, the internal body fat was selected automatically using water/fat density maps. Results The accuracy of the best performing 3D-ME-FGRE sequence was 0.20 °C in phantom (in the clinical temperature range) and 0.75 °C in volunteers, compared to DE-GRE values of 0.37 °C and 1.96 °C, respectively. Conclusion For hyperthermia applications, where accuracy is more important than resolution or scan-time, the 3D-ME-FGRE sequence is deemed the most promising candidate. Beyond its convincing MRT performance, the ME nature enables automatic selection of internal body fat for B0 drift correction, an important feature for clinical application.
Bodily feelings and aesthetic experience of art

ABSTRACT Humans all around the world are drawn to creating and consuming art due to its capability to evoke emotions, but the mechanisms underlying art-evoked feelings remain poorly characterised. Here we show how embodiement contributes to emotions evoked by a large database of visual art pieces (n = 336). In four experiments, we mapped the subjective feeling space of art-evoked emotions (n = 244), quantified “bodily fingerprints” of these emotions (n = 615), and recorded the subjects’ interest annotations (n = 306) and eye movements (n = 21) while viewing the art. We show that art evokes a wide spectrum of feelings, and that the bodily fingerprints triggered by art are central to these feelings, especially in artworks where human figures are salient. Altogether these results support the model that bodily sensations are central to the aesthetic experience.
Draft Genome Sequence of Granulicatella sp. Strain S8, Isolated from a Marine Fish, Seriola quinqueradiata

In this study, Granulicatella sp. strain S8 was isolated from the gut of a marine fish, Seriola quinqueradiata, and the draft genome was sequenced. Various genes responsible for pathogenesis, metabolite biosynthesis, defense, and lactic acid production were predicted. The genome sequence of this facultative anaerobe provides insights into its distinctive features. ABSTRACT In this study, Granulicatella sp. strain S8 was isolated from the gut of a marine fish, Seriola quinqueradiata, and the draft genome was sequenced. Various genes responsible for pathogenesis, metabolite biosynthesis, defense, and lactic acid production were predicted. The genome sequence of this facultative anaerobe provides insights into its distinctive features.
Interaction with the carboxy-terminal tip of SSB is critical for RecG function in E. coli

Abstract In Escherichia coli, the single-stranded DNA-binding protein (SSB) acts as a genome maintenance organizational hub by interacting with multiple DNA metabolism proteins. Many SSB-interacting proteins (SIPs) form complexes with SSB by docking onto its carboxy-terminal tip (SSB-Ct). An alternative interaction mode in which SIPs bind to PxxP motifs within an intrinsically-disordered linker (IDL) in SSB has been proposed for the RecG DNA helicase and other SIPs. Here, RecG binding to SSB and SSB peptides was measured in vitro and the RecG/SSB interface was identified. The results show that RecG binds directly and specifically to the SSB-Ct, and not the IDL, through an evolutionarily conserved binding site in the RecG helicase domain. Mutations that block RecG binding to SSB sensitize E. coli to DNA damaging agents and induce the SOS DNA-damage response, indicating formation of the RecG/SSB complex is important in vivo. The broader role of the SSB IDL is also investigated. E. coli ssb mutant strains encoding SSB IDL deletion variants lacking all PxxP motifs retain wildtype growth and DNA repair properties, demonstrating that the SSB PxxP motifs are not major contributors to SSB cellular functions.
Exploring the content of the STAND-VR intervention: A qualitative interview study

Prolonged sedentary behaviour has been identified as a potential independent contributor to a number of chronic conditions as well as mortality. The integration of digital technology into health behaviour change interventions has been shown to contribute to increases in physical activity levels, reductions in time spent sedentary, reductions in systolic blood pressure and improvements physical functioning. Recent evidence suggests that older adults could be motivated to adopt a technology such as immersive virtual reality (IVR) due to the added agency it can potentially afford them in their lives through physical and social activities offered in IVR. To date, little research has attempted to integrate health behaviour change content into an immersive virtual environment. This study aimed to qualitatively explore older adults’ perspectives on the content of a novel intervention, STAND-VR, and how it could be integrated into an immersive virtual environment. This study was reported using the COREQ guidelines. Twelve participants aged between 60 and 91 years took part. Semi-structured interviews were conducted and analysed. Reflexive thematic analysis was the chosen method of analysis. Three themes were developed, “Immersive Virtual Reality: The Cover versus the Contents”, “Ironing Out the (Behavioural) Details” and, “When Two Worlds Collide”. These themes offer insights into how retired and non-working adults perceived IVR before and after use, how they would like to learn how to use IVR, the content and people they would like to interact with and finally, their beliefs about their sedentary activity and using IVR. These findings will contribute to future work which aims to design IVR experiences that are more accessible to retired and non-working adults, offering greater agency to take part in activities that reduce sedentary behaviour and improve associated health outcomes and, importantly, offer further opportunity to take part in activities they can ascribe greater meaning to.
Effect of aromatherapy on quality of life in maintenance hemodialysis patients: a systematic review and meta-analysis

Abstract Objective Aromatherapy has been used for patients on maintenance hemodialysis (MHD), but the outcomes are still controversial. Thus, we conducted this study to systematically evaluate the effect of aromatherapy on the quality of life of patients on MHD. Methods We searched the PubMed, Embays, Scopus, Web of Science, and CNKI databases for randomized controlled trials that evaluated the use of aromatherapy in dialysis patients and reported at least one outcome of interest. Results Twenty-two relevant studies were included in the meta-analysis. The meta-analysis revealed that aromatherapy significantly increased subjective sleep quality (a lower score indicates better sleep quality) [standardized mean difference (SMD) = −1.52, 95% CI (−2.38, −0.67), p < 0.01] and reduced fatigue [SMD = −1.14, 95% CI (−1.95, −0.33), p = 0.01], anxiety [SMD = −1.38, 95% CI (−2.09, −0.67), p < 0.01], symptoms of restless legs syndrome [RLS; SMD = −1.71, 95% CI (−2.09, −1.33), p < 0.01], and arteriovenous fistula puncture pain [SMD= −1.56, 95% CI (−2.60, −0.52), p < 0.01]. Conclusions Aromatherapy may be used as a novel complementary and alternative therapy to improve sleep quality and reduce fatigue, anxiety, symptoms of RLS, and arteriovenous fistula puncture pain in patients on MHD.
Optical requirements with turbulence correction for long-range biometrics

Iris recognition utilizes distinct patterns found in the human iris to perform identification. Image acquisition is a critical first step towards successful operation of iris recognition systems. However, the quality of iris images required by standard iris recognition algorithms puts hard constraints on the imaging optical systems which have resulted in demonstrated systems to date requiring a relatively short subject stand-off distance. In this paper, we study long-range iris recognition at distances as large as 200 meters, and determine conditions the imaging system must satisfy for identification at longer stand-off distances.
Nucleotide‐binding leucine‐rich repeat network underlies nonhost resistance of pepper against the Irish potato famine pathogen Phytophthora infestans

Summary Nonhost resistance (NHR) is a robust plant immune response against non‐adapted pathogens. A number of nucleotide‐binding leucine‐rich repeat (NLR) proteins that recognize non‐adapted pathogens have been identified, although the underlying molecular mechanisms driving robustness of NHR are still unknown. Here, we screened 57 effectors of the potato late blight pathogen Phytophthora infestans in nonhost pepper (Capsicum annuum) to identify avirulence effector candidates. Selected effectors were tested against 436 genome‐wide cloned pepper NLRs, and we identified multiple functional NLRs that recognize P. infestans effectors and confer disease resistance in the Nicotiana benthamiana as a surrogate system. The identified NLRs were homologous to known NLRs derived from wild potatoes that recognize P. infestans effectors such as Avr2, Avrblb1, Avrblb2, and Avrvnt1. The identified CaRpi‐blb2 is a homologue of Rpi‐blb2, recognizes Avrblb2 family effectors, exhibits feature of lineage‐specifically evolved gene in microsynteny and phylogenetic analyses, and requires pepper‐specific NRC (NLR required for cell death)‐type helper NLR for proper function. Moreover, CaRpi‐blb2–mediated hypersensitive response and blight resistance were more tolerant to suppression by the PITG_15 278 than those mediated by Rpi‐blb2. Combined results indicate that pepper has stacked multiple NLRs recognizing effectors of non‐adapted P. infestans, and these NLRs could be more tolerant to pathogen‐mediated immune suppression than NLRs derived from the host plants. Our study suggests that NLRs derived from nonhost plants have potential as untapped resources to develop crops with durable resistance against fast‐evolving pathogens by stacking the network of nonhost NLRs into susceptible host plants.
Interacting multiple model algorithm in target tracking

In order to resolve the maneuvering problem in target tracking,an algorithm based on interacting multiple model(IMM) method was presented.In this method every sub-model has its own model match probability that changes with the target's estimated state and measures.The sub-model can soft-jump between each other under the control of Markovian switching coefficients.From simulation it can be seen that the IMM method can improve the tracking accuracy of maneuvering targets.
Efficacy of optical coherence tomography in the triage of women with minor abnormal cervical cytology before colposcopy

Objectives To evaluate the efficacy of Optical Coherence Tomography (OCT) for detecting cervical lesions in women with minor abnormal cytology results (atypical squamous cells of undetermined significance (ASC-US) and low-grade squamous intraepithelial lesion (LSIL)). Methods A prospective study was conducted at gynecologic clinic from Mar 2021 to Sep 2021. The recruited women with cervical cytological findings of ASC-US or LSIL were inspected with OCT before colposcopy-directed cervical biopsy. The diagnostic performance of OCT, alone and in combination with high-risk human papillomavirus (hrHPV) testing were evaluated to detect cervical intraepithelial neoplasia of grade 2 or worse (CIN2+)/CIN3 or worse (CIN3+). The rate of colposcopy referral and the immediate risk of CIN3+ of OCT were calculated. Results A total of 349 women with minor abnormal cervical cytology results were enrolled. For detection of CIN2+/CIN3+, the sensitivity and NPV of OCT were lower than those of hrHPV testing (CIN2+: 71.3% vs. 95.4%, 89.0% vs. 91.1%, P < 0.001; CIN3+: 75% vs. 93.8%, 96.5% vs. 95.6%, P < 0.001), but the specificity, accuracy and PPV were higher than those of hrHPV testing (CIN2+: 77.5% vs. 15.6%, 75.9% vs. 35.5%, 51.2% vs. 27.3%, P < 0.001; CIN3+: 69.4% vs. 13.6%, 69.9% vs. 20.9%, 19.8% vs. 9.9%, P < 0.001). OCT combined with hrHPV testing (CIN2+: 80.9%; CIN3+: 72.6%) showed higher specificity than that of OCT alone (P < 0.001). The colposcopy referral rate base on OCT classification was lower than that based on hrHPV testing (34.7% vs. 87.1%, P < 0.001). Patients with hrHPV-positive ASC-US and hrHPV-negative LSIL cytology, the immediate CIN3+ risk in OCT negative cases was less than 4%. Conclusions OCT alone or combination with hrHPV testing shows good performance for detecting CIN2+/CIN3+ in patients with ASC-US/LSIL cytology. OCT is an effective method for colposcopy triage in women with hrHPV-positive ASC-US and hrHPV-negative LSIL cytology.
Primordial non-Gaussianity and the inflationary Universe

Non-Gaussianity of primordial ﬂuctuations is one of the most important probes of the very early Universe and is now severely constrained by cosmological observations. In this review, we describe the formalism to investigate primordial non-Gaussianities such as the bispectrum and trispectrum, and summarize the current observational constraints on the so-called non-linearity parameters. We also discuss models of the origin of primordial ﬂuctuations, paying particular attention to their non-Gaussian nature. The scale-dependence of non-linearity parameters and non-Gaussianities from isocurvature ﬂuctuations are also discussed.
Clinical outcomes and quality of life after contemporary isolated coronary bypass grafting: a prospective cohort study

OBJECTIVES The objective of the European Multicenter Registry to Assess Outcomes in coronary artery bypass grafting (CABG) patients (DuraGraft Registry) was to determine clinical outcomes and quality of life (QoL) after contemporary CABG that included isolated CABG and combined CABG/valve procedures, using an endothelial damage inhibitor (DuraGraft) intraoperatively for conduit preservation. Here, we report outcomes in the patient cohort undergoing isolated CABG. METHODS The primary outcome was the composite of all-cause death, myocardial infarction (MI), or repeat revascularization (RR) [major adverse cardiac events (MACE)] at 1 year. Secondary outcomes included the composite of all-cause death, MI, RR, or stroke [major adverse cardiac and cerebrovascular events (MACCE)], and QoL. QoL was assessed with the EuroQol-5 Dimension questionnaire. Independent risk factors for MACE at 1 year were determined using Cox regression analysis. RESULTS A total of 2532 patients (mean age, 67.4±9.2 years; 82.5% male) underwent isolated CABG. The median EuroScore II was 1.4 [interquartile range (IQR), 0.9-2.3]. MACE and MACCE rates at 1 year were 6.6% and 7.8%, respectively. The rates of all-cause death, MI, RR, and stroke were 4.4, 2.0, 2.2, and 1.9%, respectively. The 30-day mortality rate was 2.3%. Age, extracardiac arteriopathy, left ventricular ejection fraction less than 50%, critical operative state, and left main disease were independent risk factors for MACE. QoL index values improved from 0.84 [IQR, 0.72-0.92] at baseline to 0.92 [IQR, 0.82-1.00] at 1 year (P<0.0001). CONCLUSION Contemporary European patients undergoing isolated CABG have a low 1-year clinical event rate and an improved QoL.