bluuebunny/crossref_metadata_2025_split huggingface dataset:
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation
Authors: Leguy Jules , Cauchy Thomas , Glavatskikh Marta , Duval Béatrice , Mota Benoit Da 
Published: June 2020

Abstract
The objective of this work is to design a molecular generator capable of exploring known as well as unfamiliar areas of the chemical space. Our method must be flexible to adapt to very different problems. Therefore, it has to be able to work with or without the influence of prior data and knowledge. Moreover, regardless of the success, it should be as interpretable as possible to allow for diagnosis and improvement. We propose here a new open source generation method using an evolutionary algorithm to sequentially build molecular graphs. It is independent of starting data and can generate totally unseen compounds. To be able to search a large part of the chemical space, we define an original set of 7 generic mutations close to the atomic level. Our method achieves excellent performances and even records on the QED, penalised logP, SAscore, CLscore as well as the set of goal-directed functions defined in GuacaMol. To demonstrate its flexibility, we tackle a very different objective issued from the organic molecular materials domain. We show that EvoMol can generate sets of optimised molecules having high energy HOMO or low energy LUMO, starting only from methane. We can also set constraints on a synthesizability score and structural features. Finally, the interpretability of EvoMol allows for the visualisation of its exploration process as a chemically relevant tree.
A proof-of-concept study on the use of prostate artery embolization prior to definitive radiotherapy in prostate cancer
Authors: Peacock Jeffrey , Sikaria Dhiraj , Maun-Garcia Laura , Javedan Khosrow , Yamoah Kosj , Parikh Nainesh 
Published: June 2020

Abstract
Backgrounds: Prostatic artery embolization (PAE) has been well studied as a clinically effective therapy for alleviating lower urinary tract symptoms (LUTS) in patients with benign prostatic hyperplasia (BPH). We demonstrate a proof of concept for PAE prior to definitive radiotherapy in patients with prostate cancer.Methods: From 12/2017 to 07/2019, 57 patients underwent PAE for LUTS and BPH. Nine of these patients had PAE for LUTS in the setting of localized prostate cancer prior to receiving radiation. Five of the nine patients received their entire radiotherapy course at our institution and had clinical follow up were included in the analysis. Median follow up was 18 months from the time of PAE. LUTS improvement quantified by IPSS was the primary endpoint and a two tail students T test was used to compare statistical significance. Side effects during radiation were quantified using the CTCAE scoring system. Pre- and post- PAE plans were compared in the five patients that by performing an isovolumetric expansion of the post PAE plan (treated plan) equivalent to the measured volume reduction after PAE. Patient 1 and 2 had prostate and seminal vesicle RT alone while patients 3-5 had prostate with elective nodal coverage. Mean doses to organs at risk were compared between the two plans.Results: The average IPSS score pre-PAE was 17.40 compared to post-PAE of 3.6 (p=0.02). The average IPSS score reduction after PAE was 13.8 (5-30). The average prostatic volume reduction after PAE was 23.14% (7.2% - 47.7%). There were no CTCAE grade 3 (severe) or higher during radiation treatment. Post-PAE plans in patient 1 and 2 had on average 16.7% and 39.8% decrease in mean dose across the bladder, rectum, and penile bulb compared to the pre-PAE plans. There were no appreciable differences in dosimetry in the patients 3-5 who had nodal coverage. There was no biochemical failure in any of the patients.Conclusion: We demonstrate a proof of concept that prostate artery embolization is useful as an adjunctive procedure to alleviate LUTS, achieve significant volume reduction prior to radiation therapy, and decrease radiation related toxicity in the treatment of prostate cancer.
Comparison of Different Anthropometric Indices to Predict Prediabetes in North China, Beijing: a 7-year Prospective Study
Authors: Gu Yulin , Zhao Changming , An Ping , Chen Kang , Li Yijun , Zang Li , Gu Weijun , Dou Jingtao , Lyu Zhaohui , Ba Jianming , Mu Yiming 
Published: June 2020

Abstract
Background

Obesity is an increasing problem worldwide and is one of the underlying risk factors for prediabetes. Although WHtR, BMI, WC and WHR were found to be associated with dysglycemia, in view of significant differences in basic characteristics, glycemic metabolism, and ethnicity, it is of practical value to investigate which indicators are the most useful measures to predict the incidence of prediabetes in Chinese population. The aim of this study was to compare the value of different anthropometric measures of obesity in the detection of prediabetes in a cohort study in China and to identify the best cut-off point of predicting prediabetes in this population.
Methods

The present study was a part of the ongoing Risk Evaluation of cAncers in Chinese diabetic Individuals: an IONgitudinal (REACTION) study. After 7 years of follow-up, a total of 2568 individuals in Beijing were analyzed. Waist-to-height ratio (WHtR), body mass index (BMI), waist circumference (WC) and waist-to-hip ratio (WHR) were measured at baseline and during follow-up. These four values were divided into tertiles. Fast blood glucose and postprandial blood glucose were tested. The association of these four anthropometric values with blood glucose were tested using multiple logistic analysis.
Results

A total of 2568 normoglycemic participants (810 males and 1758 females) were recruited, with an average age of 62.68 ± 6.97 years. After 7 years of follow-up, 52 subjects had developed newly diagnosed diabetes, and 423 individuals had developed prediabetes. Among those with prediabetes, 278 had IGT, 105 had IFG, and 40 had IGT + IFG. The incidences of prediabetes and diabetes were calculated to be 115.3 per 1000 person-years and 14.2 per 1000 person-years, respectively. Multivariable regression analysis revealed that there was no significant difference in the WHtR, BMI, WC, WHR among those with diabetes and nondiabets. In the general population and the group of females with prediabetes, we found that WHtR was the best value to predict prediabetes, and with an increase in the WHtR, the possibility of prediabetes increased by 90% or 102%, respectively. In the group of males, WHR was the most associated with prediabetes, and people in Tertile 2 was 2.62 times more likely to suffer from prediabetes than those in Tertile 1. For females, the optimal cut-off points of WHtR, BMI, WC and WHR were 0.48, 23.5 kg/m2, 75.6 cm and 0.84, respectively. For males, the optimal cut-off points of the WHtR, BMI, WC and WHR were 0.50, 25.5 kg/m2, 88.9 cm and 0.93, respectively.
Conclusion

In a Chinese study population, WHtR was the best predictor of the development of prediabetes in the general population and in females 7 years in advance, while WHR could predict the development of prediabetes in males. Early identification of prediabetes can better prevent diabetes.
Interleukin 17 Receptor a Haplotype Analysis in Chronic Spontaneous Urticaria
Authors: Nada Hesham , Hassan Ranya , Ibrahim Rasha Abd El-Hamed , Abdelsalam Omnia Emad , Fathy Amal , Toraih Eman A , Atwa Mona 
Published: June 2020

Abstract
Background: Chronic spontaneous urticaria (CSU) is a distressing skin disease. Family clustering and heterogeneity in the onset and progression indicate that susceptibility to CSU is a complex trait. In this study, we performed haplotype analysis for one of the key player gene, IL17RA, for CSU to test the association with disease susceptibility and severity.MethodsThe study included 70 CSU patients and 30 healthy controls. The severity of the disease was evaluated by autologous serum skin test (ASST) and urticaria activity score (UAS). ASST test was done and quality of life was assessed using a questionnaire. Allelic discrimination analysis for rs4819554 and rs879577 was performed using Real-Time Polymerase Chain Reaction technology.Results: Carriers of rs4819554*G were more prone to develop CSU than its counterpart (p = 0.039), while rs4819554*A allele displayed more severe phenotype in the form of more prolonged disease duration (p = 0.040), concurrent angioedema (p < 0.001), higher level of treatment (p < 0.001), and higher score of quality of life (p < 0.001). Additionally, homozygote patients with rs879577*CC were associated with angioedema (p < 0.001). Haplotype analysis revealed that cohorts with both rs4819554*A and rs879577*T conferred protection against developing CSU (OR = 0.07, 95%CI = 0.01 - 0.32, p = 0.001).Conclusions: Our results showed that IL17RA gene polymorphisms might contribute to the increased susceptibility to CSU.
Association of genetic variants in Sirt1 and Nrf2 gene with metabolic syndrome risk in a Chinese Han population
Authors: Tao Tingting , Lin Xihua , Tang Shengjie , Gui Weiwei , Zhu Weifen , Li Hong 
Published: June 2020

Abstract
Metabolic syndrome (MetS) is a complex of interrelated risk factors including central adiposity, raised blood pressure, hyperglycemia, elevated triglyceride levels and low high-density lipoprotein. Association studies have reported several genetic variants in Sirt1 gene and Nrf2 gene (Sirt1 rs7895833 A>G, Sirt1 rs2273773 C>T and Nrf2 rs6721961 C>A ) with contributions to T2DM susceptibility as well as some glycemic and metabolic traits. However, little is known about contributions of these three single nucleotide polymorphisms (SNPs) to above phenotypes in Chinese. Our study recruited 141 individuals with MetS and 549 individuals without MetS to investigate association between three SNPs of Sirt1, Nrf2 gene and MetS risk in a Chinese Han population using PCR-CTPP method. The result showed that the AA genotype of Sirt1 rs7895833was 2.41 times higher in MetS group than those of AG genotype（P=0.038）and 1.94 times higher than those of GG genotype（P=0.016）. he serum level of low-density lipoprotein cholesterol and HOMA-IR were significantly higher (P<0.05) in AA genotype of Sirt1 rs7895833 compared with AG and GG genotype in general population. And the serum level of total cholesterol in AA genotype was lower (P=0.033) than other two genotypes. However, the genotype frequency of Sirt1 rs2273773 and Nrf2 rs6721961 in MetS group were not significantly different from that in the control subjects, and those two genetic variants were not correlated with metabolic traits. These results underscore the contributions of SNPs of Sirt1 rs7895833 to MetS susceptibility in Chinese as well as glycemic and metabolic traits.
Early Leucine Programming on Protein Utilization and mTOR Signaling by DNA Methylation in Zebrafish (Danio Rerio)
Authors: Zhu Qiang-Sheng , Wang Jie , he shan , Liang Xu-Fang , Xie Shuang , Xiao Qian-Qian 
Published: June 2020

Abstract
Background: Early nutritional programming affects a series of metabolism, growth and development in mammals. Fish also exhibit the developmental plasticity by early nutritional programming. However, little is known about the effect of early amino acid programming on growth and metabolism. Methods: In the present study, zebrafish (Danio rerio) was used as the experimental animal to study whether early leucine stimulation can programmatically affect the mechanistic target of rapamycin (mTOR) signaling pathway, growth and metabolism in the later life, and to undercover the mechanism of epigenetic regulation. Zebrafish larvas at 3 days post hatching (dph) were raised with 1.0% leucine from 3 to 13 dph during the critical developmental stage, then back to normal water for 70 days (83 dph). Results: The growth performance and crude protein content of zebrafish in the early leucine programming group were increased, and consistent with the activation of the mTOR signaling pathway and the high expression of genes involved in the metabolism of amino acid and glycolipid. Furthermore, we compared the DNA methylation profiles between the control and leucine-stimulated zebrafish, and found that the methylation levels of CG-differentially methylated regions (DMGs) and CHH-DMGs of genes involved in mTOR signaling pathway were different between the two groups. With quantitative PCR analysis, the decreased methylation levels of CG type of Growth factor receptor-bound protein 10 (Grb10), eukaryotic translation initiation factor 4E (eIF4E) and mTOR genes of mTOR signaling pathway in the leucine programming group, might contribute to the enhanced gene expression. Conclusions: The early leucine programming could improve the protein synthesis and growth, which might be attributed to the methylation of genes in mTOR pathway and the expression of genes involved in protein synthesis and glycolipid metabolism in zebrafish. These results could be beneficial for better understanding of the epigenetic regulatory mechanism of early nutritional programming.
The Free Flap Based on a Single Proximal Perforator of Radial Artery: the Ultrasonography Study and Clinical Applications in Reconstruction of Digital Defect
Authors: Wu Guangzhi , Zhang Zhan , Zhang Fan , Zhang Yiqun , Yu Wei 
Published: June 2020

Abstract
Objectives: To locate the anastomosable constant perforator of radial artery on the proximal forarm using ultrasonography, and describe the application of free radial artery flap based on a single proximal perforator in the reconstruction of digital soft tissue defects.Methods: In 20 forarms (10 right and 10 left) from 10 volunteers, the perforators in the proximal half of forarm from radial artery were visualized by ultrasonography. Then the free radial artery perforator flaps based on the single perforator were used for reconstruction of small digital soft tissue defects in 4 cases between October 2017 and May 2018.Results: Of the 20 forarms, anastomosable perforator was constantly detected from the radial artery in the proximal half of forarm. The diameter of the perforator was 0.7±0.1 mm, the pedicle length is 12±3 mm by ultrasonography. Ther location of the perforator is far from elbow crease 8.8±1.4 cm, and the relative distance of the perforator location from elbow crease to wrist crease is 37.2% ± 4.8%. In clinical cases, all the flaps were complete survival. Flap size ranged from 3.5 to 6.5 cm in length and 2.3 to 3.0 cm in width. Donor sites of forearm were closed primarily in all cases. During a mean period of 12 months (8-14 months) follow-up, the mean Brief Michigan Hand Questionnaire (BMHQ) score was 72.9 (60.4-85.4) in the affected hand.Conclusions: There is an anastomosable perforator consistent located on the radial artery in the proximal half of forarm. The free radial artery small flap based on this single perforator provides acceptable functional and cosmetic outcomes for the reconsturction of digital soft tissue defects . With the preservation of the main vessel (radial artery) of forearm, this flap provides another reliable option for handsurgery surgeon to reconstruct small digital defects.
Simulated sunlight decreases the viability of SARS-CoV-2
Authors: Sloan Angela , Cutts Todd , Griffin Bryan D , Kasloff Samantha , Schiffman Zachary , Chan Mable , Audet Jonathan , Leung Anders , Kobasa Darwyn , Stein Derek , Poliquin Guillaume 
Published: June 2020

Abstract
The novel coronavirus, SARS-CoV-2, has spread into a pandemic since its emergence in Wuhan, China in December of 2019. This has been facilitated by its high transmissibility within the human population and its ability to remain viable on inanimate surfaces for an extended period. To address the latter, we examined the ability of sunlight to degrade SARS-CoV-2 on stainless steel. All assays were performed using a solar simulator at the equivalent of one air mass (i.e. equatorial sun at its Zenith). Heat-controlled experiments were conducted at approximately 34% relative humidity (RH); otherwise, RH decreased with sunlight exposure until a constant temperature was maintained. When initially suspended in tissue culture medium, the virus was rendered non-viable after two hours of sunlight exposure. However, when suspended in an organic matrix designed to mimic bodily secretions, three hours of continuous sunlight was required for complete degradation. From this work, we demonstrate that sunlight represents an effective decontamination method but the speed of decontamination is variable based on the underlying matrix. This information has an important impact on the development of infection prevention and control protocols to reduce the spread of this deadly pathogen.
Using Physical Education to Promote Leisure-Time Physical Activity in Lower Secondary School Students: The PETALS Trial
Authors: Schneider Jekaterina , Polet Juho , Hassandra Mary , Lintunen Taru , Laukkanen Arto , Hankonen Nelli , Hirvensalo Mirja , Tammelin Tuija H. , Törmäkangas Timo , Hagger Martin S. 
Published: June 2020

Abstract
Background
Inadequate physical activity in young people is associated with several physical and mental health concerns. Physical education (PE) is a potentially viable existing network for promoting physical activity in this population. However, little research has been conducted on whether PE teachers can influence students’ engagement in leisure-time physical activity. The present study therefore examined the efficacy of an intervention aimed at increasing PE teachers’ autonomy support on students’ leisure-time physical activity (the PETALS trial). The intervention was guided by the trans-contextual model (TCM) explaining the processes by which PE teachers’ provision of autonomy support during PE promotes students’ motivation and engagement in physical activity in their leisure time.
Methods
The study adopted a cluster-randomized, waitlist control intervention design with randomization by school. Participants were PE teachers (N = 29, 44.83%female; M age = 42.83, SD = 9.53yrs) and their lower secondary school students (N = 502, 43.82%female; M age = 14.52, SD = 0.71yrs). We measured TCM constructs, including perceived autonomy support, autonomous motivation in PE and leisure time, beliefs and intentions towards leisure-time physical activity, and physical activity behavior at baseline, post-intervention, and at one-, three-, and six-months. Study hypotheses were tested through a series of ANOVAs and structural equation models using post-intervention and one-month follow-up data.
Results
We found no changes in TCM constructs or physical activity behavior in either group at post-intervention or at one month. Path analyses supported two propositions of the TCM as change variables: perceived autonomy support had a significant effect on autonomous motivation in PE and autonomous motivation in PE had a significant effect on autonomous motivation in leisure time. Although we found a direct effect of autonomous motivation in leisure time on physical activity, we did not find support for the third premise of the TCM that autonomous motivation in leisure time indirectly affects physical activity through beliefs and intentions.
Conclusions
Current findings did not support the efficacy of the PETALS intervention at changing physical activity behavior and TCM constructs. More research is required to determine whether the TCM predictive validity is supported when other model variables are manipulated through experimental and intervention studies.
Trial registration:
ISRCTN, ISRCTN39374060. Registered 19 July 2018, https://doi.org/10.1186/ISRCTN39374060
Myostatin and Markers of Bone Metabolism in Dermatomyositis
Authors: Kerschan-Schindl Katharina , Gruther Wolfgang , Föger-Samwald Ursula , Bangert Christine , Kudlacek Stefan , Pietschmann Peter 
Published: June 2020

Abstract
Background: In dermatomyostis (DM) patients, inflammation, reduced activity, and medication have a negative impact on the musculoskeletal system. Several endocrine factors are involved in muscle growth and bone turnover.Objective: We aimed to investigate factors regulating myogenesis and bone metabolism and to evaluate possible associations between these endocrine factors, muscle strength, and functional tests in DM patients.Methods: We conducted a cross-sectional study in 18 dermatomyositis patients. Serum levels of myostatin (MSTN), follistatin (FSTN), dickkopf 1 (Dkk1), sclerostin (SOST), periostin (PSTN), the receptor activator nuclear factor kB ligand (RANKL):osteoprotegerin (OPG) ratio and fibroblast growth factor 23 (FGF23) were determined. Physical function was evaluated by hand-held strength measurement, chair rising test, timed up and go test and the 3-minute walking test. Results: Serum MSTN and FGF23 levels were significantly higher in DM patients than in controls. Dkk1 was significantly lower. Muscle strength and physical function tests correlated with each other.Conclusion: In DM patients, biochemical musculo-skeletal markers are altered and physical function shows deficits. All these tests reflect independent of each other different deficits in long-term DM patients which is important to know for the assessment of DM patients as well as planning of therapeutic interventions in clinical routine.
The Effect of Extracorporeal Shock Wave on Osteonecrosis of Femoral Head: A Systematic Review and Meta-Analysis
Authors: Mei Jin , Pang Lili , Gong Yu , Jiang Zhongchao 
Published: June 2020

Abstract
Background: This study aimed to determine whether ESWT (extracorporeal shock wave therapy) has an efficient effect on ONFH (osteonecrosis of femoral head) in clinical outcomes and radiography outcomes.Method: Two authors independently searched the papers on the treatment of femoral head necrosis with extracorporeal shock wave in CNKI (China National Knowledge Infrastructure), VIP (China Science and Technology Journal Database), CSPD (China Science Periodical Database) , Pubmed, Embase and Springer databases. Search period from the inception dates to June 2, 2020 and have no limitations in language; Two authors independently conducted Quality evaluation and data extraction for included studies and preformed a meta-analysis with data extracted and calculated by using review manager 5.3.Result: Nine articles with 409 patients were included in this meta-analysis. The pooled results of HHS (Harris hip score) in eight studies with 337 hips show that ESWT achieved higher Harris scores compared to before treatment (MD= -19.95;95% CI: -26.27, -13.64;). The differences were statistically significant (p<0.01). The pooled results of VAS (visual analogue score) in seven studies with 253 hips show that ESWT achieved lower VAS compared to baseline (MD= 2.77;95%CI: 1.88, 3.65;), the differences were statistically significant (p<0.01). the pooled results of lesion of MRI with 164 hips show that ESWT decrease the lesion area of MRI (SMD=1.03,CI: 0.75,1.30,),the differences were statistically significant (p<0.01).Conclusion: ESWT have an effect in pain relief and can improve motion function. It's effect better than surgical groups (core decompression and core decompression with bone grafting). But it may not decrease the lesion area of the femoral head on MRI.