jimnoneill/paper-to-field-training huggingface dataset:
Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting Hexokinase-II

Field: Pharmacology, Toxicology and Pharmaceutics (Life Sciences)

Hexokinase-II (HK-II), the rate-limiting step enzyme in the glycolysis pathway, expresses high levels of cancer cells compared with normal cells. Due to its pivotal role in the different aspects of cancer physiology including cellular proliferation, metastasis, and apoptosis, HK-II provides a new therapeutic target for cancer therapy. The structure-based virtual screening targeting HK-II was used to hit identifications from small molecule databases, and the select compounds were further evaluated in biological assays. Forty-seven compounds with the lowest binding energies were identified as potential HK-II inhibitors. Among them, nine compounds displayed the highest cytotoxicity to three different cancer cells. Based on the mechanism study, compounds 4244-3659 and K611-0094 showed an obvious inhibitory effect on the HK-II enzyme. This study identified two potential inhibitors of HK-II and can be helpful for developing potential drugs targeting HK-II in tumor therapy.
Quantifying the Life Cycle Impacts of Low Emission Bus Incentives on Alternative Bus Fleets

Field: Energy (Physical Sciences)

To increase uptake of low and zero emission bus technologies, bus fleet operators are offered financial incentives to reduce capital and operational costs. However, there is uncertainty about the most environmentally and economically sustainable method of delivering these incentives and the impact it could have on the procurement, operation and wider life-cycle implications of new technologies. The goal of this study is to develop a framework to investigate the impact of low emission bus (LEB) incentives in terms of the risk and uncertainty of life cycle costs of alternative bus technologies. The life cycle framework developed enables total cost of ownership (TCO) calculations for fleets operating on Route 159, London for diesel, micro-hybrid, mild-hybrid and battery-electric bus (BEB) drivetrains and single & double-deck body configurations. For incentives scenarios (current and proposed operational, capital and infrastructure incentives) on the simulated route, there is no TCO parity between BEB and diesel fleets for any scenario or risk level. Opportunity charging of BEBs results in fewer vehicles, lower infrastructure costs, energy costs and lower TCO in all scenarios compared to depot-charged fleets. Proposed operational incentives increase TCO of micro and mild-hybrid fleets, but capital incentives will make mild-hybrids more cost-competitive. Double-deck BEB fleets tend to have lower TCO in all scenarios than single-deck counterparts. Proposed incentives are not sufficient to encourage rapid uptake of BEBs.
Analysis of distribution and antibiotic resistance of pathogens isolated from children blood culture in Zhongshan city.

Field: Medicine (Health Sciences)

Objective To investigate the distribution and antibiotic resistance of pathogens isolated from children blood culture in Zhongshan city.Method 4647 blood samples of children were cultured by Bact/Alert automated blood culture system,and antimicrobial susceptibility test was done by VITEK-32 automicroscan.Result A total of 316 strains were isolated from 4 647 specimens and the positive rate was 6.8%.Among them,258 were gram-positive bacteria(81.6%) and the coagulase negative staphylococcus was dominant(66.1%),while 55 belong to gram-negative bacteria(17.4%) with E.coli and Klebsiella pneumoniae being dominant.The resistance rate of gram-positive bacteria to Penicillin G was 93.4%,followed by Ampinicillin/Sulbactam 82.9% and Oxacillin 82.3%,all being higher than 80%.No Vancomycin,Linezolid or Nitrofurantoin resistant strains were found.Methicillin resistant staphylococcus aureus(MRSA) and Methicillin resistant coagulase negative staphylococcus(MRSCN) accounted for 25% and 82.3%.As to gram-negative bacteria,the rate of E.coli and Klebsiella pneumoniae producing Extent-spectrum β-lactamases(ESBLs) was 50% and 33%,respectively.And their susceptible rates to Cefoperazone/Sulbactam was 91.7%,Amikacin 100%,Levofloxacin 92.9%,Imipenem 100%;The resistan rates were low.Conclusion Gram-positive bacteria were the main pathogen causing children septicemia in Zhongshan city.And they tend to be multidrug resistant.
P2–094: The AD8 as a self–rating tool of dementia and depression

Field: Medicine (Health Sciences)

Dementia may be under–diagnosed in the community. The AD8 was developed from a longitudinal research project as a brief, informant–based measure to detect dementia. To test how well the AD8 performs as a self–rating tool, compared with both informant and clinician impression of cognitive status. 317 subject–informant dyads were evaluated from a longitudinal study of memory and aging. The number of endorsed AD8 items by the subject was compared with the number endorsed by the informant, with independently derived Clinical Dementia Rating (CDR) ratings, and with ratings of depression. Strength of association was measured with Spearman (r) and intraclass (ICC) correlation coefficients. ROC curves were used to assess the discriminative properties of the AD8 given to both subjects and informants. Mean age of subjects was 72.8 y (range 43–104) and of informants was 66.4 y (range 24 – 101). The relationship of informants included spouses (56%), children (24%), relatives (8%), friends (8%) and others (4%). 87% of subjects and 94% of informants completed the questionnaire. CDR was correlated with both informant (r=0.75, p<.0001) and subject (r=0.34, p<.0001) AD8 scores. Subjects' AD8 scores had good agreement with informants' AD8 scores (ICC=0.53, 95% CI:0.41–0.62). Subjects’ AD8 scores also correlated (p's<.0001) with subjective complaints of memory problems (r=0.47), with informants’ endorsement of DSM–IV depression features (r=0.37) and the Geriatric Depression Scale (GDS) (r=0.41); and the subjects’ endorsement DSM–IV depression features (r=0.49) and GDS (r=0.56). Subjects complaints of memory problems corresponded to the presence of both dementia (CDR 0.5, r=.25, p=.0008) and depression by DSM–IV criteria (r=0.25, p=.0008) and GDS (r=.23, p=.002). The area under the ROC curve for the informant AD8 was 0.894 (95% CI:0.86–0.93); the subject AD8 was 0.779 (95% CI:0.679–0.78). The AD8 is a brief, sensitive measure that differentiates between nondemented and demented individuals and is sensitive to depression when asked of either the subject or an informant, although informants were more observant than the subject. The AD8 can be used as a general screening device to detect dementia and depression in the older adult.
The functionality of maternal and neonatal fatty acids : from pregnancy to childhood

Field: Neuroscience (Life Sciences)

Ninety-three pregnant women were recruited to assess fetal learning and memory, based on habituation to repeated vibroacoustic stimulation of fetuses of 30-38 weeks gestational age (GA).Each habituation test was repeated 10 minutes later to estimate fetal short-term memory.For groups 30-36, both measurements were replicated in a second session at GA 38 for the assessment of fetal long-term memory.Within the time frame considered, fetal learning appeared GA-independent.Furthermore, we observed that fetuses have a short-term (10 minutes) memory from at least 30 weeks GA onwards, which also appeared independent of fetal age.In addition, results indicated that 34 week old fetuses are able to store information and retrieve it 4 weeks later.
Stenosis in laparoscopic gastric bypass: management by endoscopic dilation without fluoroscopic guidance Estenosis tras derivación gástrica laparoscópica: tratamiento mediante dilataciones endoscópicas sin control radiológico

Field: Medicine (Health Sciences)

Objectives: gastric bypass is the surgical procedure that is carried out most frequently in the treatment of morbid obesity. Stenosis of the gastro-jejunal anastomosis is a relatively frequent complication that requires endoscopic management. However, the optimal dilation technique is yet to be determined. The purpose of this study was to evaluate the safety and efficacy of dilation with a hydrostatic balloon (CRE) without radioscopic guidance in morbidly obese patients treated by laparoscopic bypass. Material and methods: retrospective review of the data elicited from 525 patients treated against morbid obesity with laparoscopic gastric bypass from January, 2006 to November, 2010. Results: a total of 22/525 patients (4.1%) developed stenosis of the anastomosis [20 women (91%), 2 men (9%)]. In four patients (18.2%), there was an associated anastomotic ulcer, and in one case, there was a history of bleeding of an ulcer treated with sclerosis one month earlier. The diagnosis of stenosis was done in most patients during the first 90 days after the bypass. All cases were resolved by means of endoscopic dilation without radioscopic guidance, 15 cases (68.1%) required a single session, 6 cases (27.2%) two sessions, and 1 case (4.5%) required four sessions. This last case had an associated anastomotic ulcer. The diameter of the balloons ranged from 12 to 20 mm, generally using diameters of 12-15 mm in the first session, and increasing them in the following sessions according to the previous result. One patient treated with a 20 mm balloon presented with a small tear, without showing any evidence of leak of contrast medium in the radioscopic guidance, and was thus managed conservatively. In the follow-up, no re-stenoses were detected. Conclusions: in our experience, stenosis of the anastomosis in the laparoscopic gastric bypass is an infrequent complication. When it happens, dilation with a hydrostatic balloon is an effective and safe treatment. Radioscopic guidance during dilation is not strictly necessary if norms of progressive dilation are followed.
Regionalisation of Singapore firms : an eclectic review and analytical observation of the internationalising experiences of Singapore firms

Field: Business, Management and Accounting (Social Sciences)

Between 1992 and 1993, the Singapore government officially formulated a regionalisation policy to encourage Singapore companies to invest overseas and to build an external economy that would enhance and create strong links with the domestic economy. This will help overcome inherent limitations such as lack of natural resources and manpower, tap on growing opportunities in the booming Asia-Pacific region and help forge closer ties with neighbouring countries. With this push, by the end of 1995, combined FDI of some 5,200 Singapore companies had increased to S$36.9 billion from S$13.6 billion in 1990.
SIFT: SONIFICATION INTEGRABLE FLEXIBLE TOOLKIT

Field: Computer Science (Physical Sciences)

This paper describes work-in-progress on a platformindependent toolkit for sonification of scientific data. The data being displayed and the sonification control information can be provided in real-time and distributed over a wide area via Ethernet. The toolkit allows the designer to process, scale, and map data to a wide variety of sonification parameters and methods. Sonification processing and control commands are stored in standard XML syntax files and can be applied or modified in real-time. The toolkit described here is easily added to existing visualization applications and can be quickly expanded to use new data formats and sonification modalities. Early results of interactive auditory and visual analysis of an example domain are described, and extensive user tests are being planned.
The breed of dam by sex of calf interaction effect on beef cattle weaning weight and cow efficiency

Field: Agricultural and Biological Sciences (Life Sciences)

A portion of a data set reported on in a previous paper was combined with additional data to evaluate the effects of dam breed × calf sex interaction and other sources of variation on beef cattle weaning weight and cow–calf efficiency of feed utilization. Within the Angus × Hereford dam group, the sex difference (male minus female calf) was 8.4% for weaning weight and 8.1% for efficiency ratio (calf weaning weight divided by dam and calf total digestible nutrients). Within the Simmental × Hereford group, the sex difference was 15.5% for weaning weight and 12.3% for efficiency ratio. Key words: Weaning weight, cow efficiency, beef cattle
Displacement in root apex and changes in incisor inclination affect alveolar bone remodeling in adult bimaxillary protrusion patients: a retrospective study

Field: Dentistry (Health Sciences)

Abstract

Background: Periodontal health is of great concern for periodontists and orthodontists in the inter-disciplinary management of patients with bimaxillary protrusion. The aim of present study is to investigate changes in the alveolar bone in the maxillary incisor region and to explore its relationship with displacement of root apex as well as changes in the inclination of maxillary incisors during incisor retraction. Methods: Samples in this retrospective study consisted of 38 patients with bimaxillary protrusion. Cone-beam computed tomography (CBCT) images was taken before(T0) and after (T1) treatment. Alveolar bone thickness (ABT), height (ABH) and area (ABA) were utilized to evaluate changes in the alveolar bone, while incisor inclination and apex displacement were used to assess changes in the position of maxillary central and lateral incisors. Correlations between alveolar bone remodeling and apex displacement as well as changes in the inclination were investigated. Results: The labial ABT of central and lateral incisors at the mid-root third was increased. In contrast, the palatal ABT at crestal, mid-root and apical third level were consistently decreased. ABH was not altered on the labial side, while significantly decreased on the palatal side. ABA was not significantly increased on the labial side, but significantly decreased on the palatal side, leading to a significantly reduced total ABA. Orthodontic treatment significantly reduced inclination of upper incisors. Changes in the amount (T1-T0) of ABA was remarkably correlated with apex displacement and changes of inclination (T1-T0); in addition, using the multivariate linear regression analysis, changes of ABA on the palatal side (T1-T0) can be described by following equation: Changes of palatal ABA (T1-T0) = -3.258- 0.139× changes of inclination (T1-T0) + 2.533×apex displacement (T1-T0). Conclusions: Retraction of incisors with palatal apex displacement reduced periodontal bone support on the palatal side. An equation that incorporated the displacement of root apex and change in the incisor inclination may enable periodontist-orthodontist interdisciplinary coordination in assessing treatment risks and developing an individualized treatment plan for adult patients with bimaxillary protrusion.
Assessing and managing the risk posed by Salmonella in pig feed

Field: Agricultural and Biological Sciences (Life Sciences)

Salmonella in pigs and derived pork is a significant food safety concern in Ireland. During commercial pig production, it is proposed that a number of risk factors including commercial feed can introduce Salmonella to fattening pig herds and may thereby cause human infections via consumption of contaminated pork. The objective of this work was to carry out an in-depth study on ten high Salmonella sero-prevalence pig farms to firstly identify which production stages were the principal harbours of Salmonella infection and secondly, to assess the occurrence of Salmonella in feed throughout the different production stages on these farms and thereby assess potential risks as well as epidemiological relationships. Isolates were characterized by serotyping, antibiotic resistance profiling, pulsed field gel electrophoresis (PFGE) and multiple locus VNTR analysis (MLVA). Eleven serotypes were recovered, with a monophasic variant of Typhimurium (4,[5],12:i:) accounting for 41.1% of all isolates recovered. Five Salmonella 4,[5],12:i:- isolates were recovered from the commercial feed mills supplying our pig farms. Typing of all isolates resulted in two common distinct MLVA profiles for both mills and farms. The Salmonella 4,[5],12:i:- variant that predominated in the pigs and feed is an emerging strain in Europe and are of increasing food safety concern. The objective of the final study was to determine the survival characteristics of Salmonella 4,[5],12:i:- strains. The thermal inactivation of the five feed strains at 55, 60 and 65°C was investigated using an immersed heating coil apparatus. The ability of the five strains to survive during storage on weaner pig feed premixed with Sodium Butyrate was also assessed over 28 day storage. The key findings in this study is the confirmation of monophasic Salmonella Typhimurium occurrence in new geographical settings and the indication of its possible role in the transmission of Salmonella from contaminated feed ingredients and feed to pigs.
sj-pdf-4-jva-10.1177_11297298241255519 – Supplemental material for Evaluation of arteriovenous fistula maturation and early prediction of clinical eligibility, using ultrasound: The Fistula Maturation Evaluation (FAME) Study

Field: Medicine (Health Sciences)

Supplemental material, sj-pdf-4-jva-10.1177_11297298241255519 for Evaluation of arteriovenous fistula maturation and early prediction of clinical eligibility, using ultrasound: The Fistula Maturation Evaluation (FAME) Study by Ioannis E Giannikouris, Stavros Spiliopoulos, Triantafyllos Giannakopoulos, Konstantinos Katsanos, Ploumis Passadakis and George Georgiadis in The Journal of Vascular Access
Treatment of Non-neurogenic Overactive Bladder with OnabotulinumtoxinA: Systematic Review and Meta-analysis of Prospective, Randomized, Placebo-controlled Clinical Trials

Field: Medicine (Health Sciences)

Abstract We performed a systematic review and meta-analysis of randomized placebo-controlled trials that studied non-neurogenic overactive bladder patients who were treated with 100 units of onabotulinumtoxinA or placebo. The primary purpose of our study was to evaluate the clinical effectiveness with regard to urinary urgency, urinary frequency, nocturia, and incontinence episodes. Our secondary purpose consisted of evaluating the adverse effects. Our initial search yielded 532 entries. Of these, seven studies met all the inclusion criteria (prospective, randomized, placebo-controlled studies, ≥ 3 points on the Jadad scale) and were selected for analysis. For all primary endpoints, the toxin was more effective than placebo (p < 0.0001; 95% confidence interval [95CI]), namely: urgency (mean difference = -2.07; 95CI = [-2.55-1.58]), voiding frequency (mean difference = - 1.64; 95CI = [-2.10-1.18]), nocturia (mean difference = -0.25; 95CI = [-0.39-0.11]) and incontinence episodes (mean difference = -2.06; 95CI= [-2.60-1.52]). The need for intermittent catheterization and the occurrence of urinary tract infection (UTI) were more frequent in patients treated with onabotulinumtoxinA than in patients treated with placebo (p < 0.0001). Compared with placebo, onabotulinumtoxinA had significantly and clinically relevant reductions in overactive bladder symptoms and is associated with higher incidence of intermittent catheterization and UTI.
When and Where did the Word ‘Crusade’ Appear in the Middle Ages? And Why?

Field: Arts and Humanities (Social Sciences)

The history of the crusades still maintains a complicated relationship with the history of the word "crusade". Many scholars seem still uncomfortable with the fact that the term "crusade" did not exist when the so-called "First Crusade" was launched, and the investigation of the terminology has been an obligatory part of any recent study of the crusades. Although some works continue to assert that no equivalent for the word "crusade" existed in the Middle Ages, most of the better informed remark that the word appeared at the beginning of the 13th century, more than a century after the official birth of the crusading movement.
The diversification of CaribbeanBuxusin time and space: elevated speciation rates in lineages that accumulate nickel and spreading to other islands from Cuba in non-obligate ultramafic species

Field: Agricultural and Biological Sciences (Life Sciences)

Abstract Background and Aims The genus Buxus has high levels of endemism in the Caribbean flora, with ~50 taxa. In Cuba, 82 % grow on ultramafic substrates and 59 % are nickel (Ni) accumulators or Ni hyperaccumulators. Hence it is an ideal model group to study if this diversification could be related to adaptation to ultramafic substrates and to Ni hyperaccumulation. Methods We generated a well-resolved molecular phylogeny, including nearly all of the Neotropical and Caribbean Buxus taxa. To obtain robust divergence times we tested for the effects of different calibration scenarios, and we reconstructed ancestral areas and ancestral character states. Phylogenetic trees were examined for trait-independent shifts in diversification rates and we used multi-state models to test for state-dependent speciation and extinction rates. Storms could have contributed to Cuba acting as a species pump and to Buxus reaching other Caribbean islands and northern South America’. Key Results We found a Caribbean Buxus clade with Mexican ancestors, encompassing three major subclades, which started to radiate during the middle Miocene (13.25 Mya). Other Caribbean islands and northern South America were reached from ~3 Mya onwards. Conclusions An evolutionary scenario is evident in which Buxus plants able to grow on ultramafic substrates by exaptation became ultramafic substrate endemics and evolved stepwise from Ni tolerance through Ni accumulation to Ni hyperaccumulation, which has triggered species diversification of Buxus in Cuba. Storms could have contributed to Cuba acting as a species pump and to Buxus reaching other Caribbean islands and northern South America’.
The Influence of Hedonic and Utilitarian Engagement in Generation Z on Continued Use of the Spotify App

Field: Business, Management and Accounting (Social Sciences)

The massive growth of social media has kept generation z updated. Spotify created spotify recap which increased the number of downloads and listeners. This study aims to determine the effect of hedonic involvement and utilitarian involvement on application attitudes and sustainable application use aimed at generation z (1997-2012). Primary data with 200 respondents. Using non probability sampling technique with convencience sampling method. Hypothesis testing using Structural Equation Modeling - Partial Least Square method with Smart-PLS application. The results concluded that hedonic engagement and utilitarian engagement are proven to have a positive and significant influence on application attitudes and continued application use. In addition, this study also proves that application attitude has a positive and significant influence on continued application use.