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QBMG: quasi-biogenic molecule generator with deep recurrent neural network

Biogenic compounds are important materials for drug discovery and chemical biology. In this work, we report a quasi-biogenic molecule generator (QBMG) to compose virtual quasi-biogenic compound libraries by means of gated recurrent unit recurrent neural networks. The library includes stereo-chemical properties, which are crucial features of natural products. QMBG can reproduce...

Advances in Hemophagocytic Lymphohistiocytosis: Pathogenesis, Early Diagnosis/Differential Diagnosis, and Treatment

-Jun Xu 0 0 Division of Hematology-oncology, Children's Hospital of Zhejiang University School of Medicine , Hangzhou , PR China Hemophagocytic lymphohistiocytosis (HLH) is a histiocytic disorder

Preliminary Evaluation of the Psychometric Quality of HEIghtenTM Quantitative Literacy

noncognitive assessments. She received her Ph.D. at the University of Nebraska-Lincoln, specializing in Quantitative, Qualitative, and Psychometric Methods. Jun Xu is a Research Data Analyst at the Educational ... . Adler . 2012 . “ Measuring Learning Outcomes Assessment in Higher Education: Motivation Matters .” Educational Researcher 41 ( 9 ): 352 ⎼ 362 . Liu , Ou Lydia, Liyang Mao, Lois Frankel, and Jun Xu . 2016

Chitosan-microcapsulated insulin alleviates mesenteric microcirculation dysfunction via modulating COX-2 and VCAM-1 expression in rats with diabetes mellitus

Chitosan-microcapsulated insulin alleviates mesenteric microcirculation dysfunction via modulating COX-2 and VCAM-1 expression in rats with diabetes mellitus Jun Xu, Lijun Cao, Yuan Suo, Xiaoqin Xu ... who approved publication: Dr Lei Yang Jun Xu, Lijun Cao, Yuan Suo, Xiaoqin Xu, Hui Sun, Songao Xu, Xiangyun Zhu, Huijie Yu, Weizhong Cao Department of Emergency Medicine, The First

Microscopic Understanding of the Carrier Transport Process in Ge Nanocrystals Films

, Nanjing University, Nanjing 210093, China 3Tongda College, Nanjing University of Posts and Telecommunications, Nanjing 210003, China Correspondence should be addressed to Jun Xu; nc.ude.ujn@uxnuj Received ... hopping.Conflicts of Interest The authors declare that they have no conflicts of interest. Authors’ Contributions Dan Shan and Jun Xu conceived the idea and carried out the experiments. Dan Shan and Hongyu Wang

Seasonal Trophic Shift of Littoral Consumers in Eutrophic Lake Taihu (China) Revealed by a Two-Source Mixing Model

We evaluated the seasonal variation in the contributions of planktonic and benthic resources to 11 littoral predators in eutrophic Lake Taihu (China) from 2004 to 2005. Seasonal fluctuations in consumer σ13C and σ15N were attributed to the combined impacts of temporal variation in isotopic signatures of basal resources and the diet shift of fishes. Based on a two-end-member...

Isotope niche dimension and trophic overlap between bigheaded carps and native filter-feeding fish in the lower Missouri River, USA

). Author Contributions Conceptualization: Jianzhu Wang, Duane Chapman, Binhe Gu. Data curation: Duane Chapman, Jun Xu, Yang Wang, Binhe Gu. Formal analysis: Jun Xu. Funding acquisition: Duane Chapman ... , Binhe Gu. Investigation: Duane Chapman. 10 / 13 Methodology: Yang Wang. Project administration: Duane Chapman. Visualization: Jun Xu. Writing ± original draft: Jianzhu Wang, Binhe Gu. Writing

Octet baryon magnetic moments at next-to-next-to-leading order in covariant chiral perturbation theory

We calculate the octet baryon magnetic moments in covariant baryon chiral perturbation theory with the extended-on-mass-shell renormalization scheme up to next-to-next-to-leading order. At this order, there are nine low-energy constants, which cannot be uniquely determined by the seven experimental data alone. We propose two strategies to circumvent this problem. First, we assume...

Numerical Investigation on Head and Brain Injuries Caused by Windshield Impact on Riders Using Electric Self-Balancing Scooters

48201, USA 5Institute of Solid Mechanics, Beihang University, Beijing 100191, China Correspondence should be addressed to Jun Xu; nc.ude.aaub@uxnuj Received 17 August 2017; Revised 12 January 2018

Numerical Investigation on Head and Brain Injuries Caused by Windshield Impact on Riders Using Electric Self-Balancing Scooters

48201, USA 5Institute of Solid Mechanics, Beihang University, Beijing 100191, China Correspondence should be addressed to Jun Xu; nc.ude.aaub@uxnuj Received 17 August 2017; Revised 12 January 2018

How to quantitatively evaluate safety of driver behavior upon accident? A biomechanical methodology

), Beihang University. The authors appreciate Dr. Ciaran Simms at Trinity College Dublin for the valuable discussions and suggestions for this paper. 12 / 15 Author Contributions Conceptualization: Jun Xu ... . Data curation: Jieer Cao. Formal analysis: Wen Zhang, Jieer Cao. Funding acquisition: Jun Xu. Investigation: Wen Zhang. Project administration: Jun Xu. Resources: Jun Xu. Supervision: Jun Xu

Polymerization Efficiency of a Dual-Cured Resin Cement through Zirconia with Three Different Cusp Inclinations

Assessing the polymerization efficiency of a dual-cured resin cement through zirconia with three different cusp inclinations is the aim of this study. Seventy-two resin cement (Multilink Speed) specimens were light-cured through the zirconia with three different cusp inclinations (30°, 20°, and 0°) for 20 s or 40 s (). For each group, the Vickers hardness (VH) measurement was...

Polymerization Efficiency of a Dual-Cured Resin Cement through Zirconia with Three Different Cusp Inclinations

Assessing the polymerization efficiency of a dual-cured resin cement through zirconia with three different cusp inclinations is the aim of this study. Seventy-two resin cement (Multilink Speed) specimens were light-cured through the zirconia with three different cusp inclinations (30°, 20°, and 0°) for 20 s or 40 s (). For each group, the Vickers hardness (VH) measurement was...

Popularity and Novelty Dynamics in Evolving Networks

Network science plays a big role in the representation of real-world phenomena such as user-item bipartite networks presented in e-commerce or social media platforms. It provides researchers with tools and techniques to solve complex real-world problems. Identifying and predicting future popularity and importance of items in e-commerce or social media platform is a challenging...

Fabrication of multifunctional triple-responsive platform based on CuS-capped periodic mesoporous organosilica nanoparticles for chemo-photothermal therapy

,3 Jun Xu,1 Liang Wu,1 Huijie Gu,1 Zhongyue Huang,1 Jiangyi Liu,1 Yiming Zhang,1 Xiaofan Yin1 1Department of Orthopedics, Minhang Branch, Zhongshan Hospital, Fudan University, Shanghai 201199, China

The Influence of Media Treatments on Color Changes, Dimensional Stability, and Cracking Behavior of Bamboo Scrimber

The purpose of this study is to evaluate the influence of media treatments on color changes, dimensional stability, and cracking behavior of bamboo scrimber, which has many applications in construction. The bamboo scrimber specimens comprised bamboo bundles with a low molecular weight phenol formaldehyde resin which were manufactured via a cold-in and cold-out hot-pressing...

The Influence of Media Treatments on Color Changes, Dimensional Stability, and Cracking Behavior of Bamboo Scrimber

The purpose of this study is to evaluate the influence of media treatments on color changes, dimensional stability, and cracking behavior of bamboo scrimber, which has many applications in construction. The bamboo scrimber specimens comprised bamboo bundles with a low molecular weight phenol formaldehyde resin which were manufactured via a cold-in and cold-out hot-pressing...

Identification of Potential Therapeutic Targets in the Liver of Pioglitazone-Treated Type 2 Diabetes Sprague-Dawley Rats via Expression Profile Chip and iTRAQ Assay

The aim of the present study was to identify key antidiabetic nodes in the livers of pioglitazone-treated type 2 diabetes mellitus Sprague-Dawley rats by transcriptomic and proteomic analysis. Rats were randomly divided into the control, the diabetes model, and the pioglitazone-treated groups. After treatment with pioglitazone for 11 weeks, the effects on fasting blood glucose...