QSAR study of the acute toxicity to fathead minnow based on a large dataset

<p>Acute fathead minnow toxicity is an important basis of hazard and risk assessment for compounds in the aquatic environment. In this paper, a large dataset consisting of 963 organic compounds with acute toxicity towards fathead minnow was studied with a QSAR approach. All molecular structures of compounds were optimized by the hybrid density functional theory method. Dragon molecular descriptors and log <i>K</i>_ow were selected to describe molecular information. Genetic algorithm and multiple linear regression analysis were combined to develop models. A global prediction model for compounds without known mode of action and two local models for organic compounds that exhibit narcosis toxicity and excess toxicity were developed, respectively. For all developed models, internal validations were performed by cross-validation and external validations were implemented by the setting of validation set. In addition, applicability domains of models were evaluated using a leverage method and outliers were listed and checked using toxicological knowledge.</p

Modelling of Microstructure Evolution during Thermoplastic Deformation of Steel by a Finite Element Method

A microstructure evolution model was coupled into finite element method to evaluate the dynamic recrystallization (DRX) and deformation behavior of low carbon steel under hot working. The flow stress curves and recrystallized grain size is measured from hot compression tests performed on Gleeble-1500. The recrystallization kinetics is expressed as Avrami equation calculated from measured flow stress curves including the effect of work hardening (WH), dynamic recovery (DRV)and DRX. Taking a hot compressed cylinder sample of Q235 as an example, an obvious non-uniform deformation is observed although the assumption of uniform deformation is commonly applied in this case. Microstructure evolution and macroscopic mechanical behavior of this sample were simulated and compared with measurements to examine the availability of the developed model

Cloning and tissue expression profiling of the <i>GnRHR</i> gene of the Muscovy duck (<i>Cairina moschata</i>): polymorphism and association with egg-laying performance

<div><p></p><p>1. cDNA sequence of gonadotropin-releasing-hormone receptor (<i>GnRHR</i>) gene was cloned and an association analysis between mutations and laying performance was conducted.</p><p>2. A 1680-bp cDNA sequence of Muscovy duck <i>GnRHR</i>, which encodes 415 amino acids, was obtained and characterised. Phylogenetic analysis revealed that Muscovy duck <i>GnRHR</i> has a close relationship with <i>Gallus gallus GnRHR</i>.</p><p>3. There were significantly different expression profiles between 4 age periods in the hypothalamus, pituitary, and ovary. The expression of <i>GnRHR</i> at the age of 36 weeks (laying period) was higher than other time points in the three tissues. <i>GnRHR</i> was expressed in 12 different tissues. The highest expression levels were observed in hypothalamus, pituitary and gonads.</p><p>4. A single nucleotide polymorphism detected in the second intron was associated with egg-laying performance. Individuals with genotype TT had better egg-laying performance from individuals with genotypes CC or TC. Therefore, <i>GnRHR</i> could be used as a marker gene for laying performance in Muscovy duck.</p></div

sj-docx-1-jdr-10.1177_00220345221138517 – Supplemental material for Apical Papilla Regulates Dental Follicle Fate via the OGN-Hh Pathway

Supplemental material, sj-docx-1-jdr-10.1177_00220345221138517 for Apical Papilla Regulates Dental Follicle Fate via the OGN-Hh Pathway by X. Lin, Q. Li, L. Hu, C. Jiang, S. Wang and X. Wu in Journal of Dental Research</p

Is endobronchial ultrasound-guided transbronchial needle aspiration with a stylet necessary for lymph node screening in lung cancer patients?

<div><p>During endobronchial ultrasound-guided transbronchial needle aspiration (EBUS-TBNA), a needle is commonly used with a stylet, although recently the stylet has been omitted. This prospective study aimed to compare the quality of specimens obtained by EBUS-TBNA performed with and without a stylet. Between November 2013 and November 2014, 131 patients with lung cancer underwent EBUS-TBNA, with a total of 148 mediastinal or hilar lymph nodes sampled both with and without an inner-stylet, yielding 296 cytological specimens. Specimens were scored cytologically using five parameters: background blood or clot, amount of cellular material, degree of cellular degeneration, degree of cellular trauma, and retention of appropriate architecture. The procedure with a stylet required significantly longer operation time than without a stylet (14.5±0.8 vs 12.7±1.1 min, P<0.001). Excellent specimens were obtained in 261/296 and 260/296 samples in the procedures with and without a stylet, respectively (P=0.9), while the remaining 35 and 36 samples, respectively, were adequate. The diagnosing and staging of lung cancer using EBUS-TBNA did not differ significantly between the groups. In conclusion, specimen collection by EBUS-TBNA without a stylet is easier and faster than the procedure using a stylet and absence of a stylet did not alter specimen quality or diagnostic accuracy.</p></div

Additional file 1: Table S1. of A retrospective paired study: efficacy and toxicity of nimotuzumab versus cisplatin concurrent with radiotherapy in nasopharyngeal carcinoma

Prognostic factors for overall survival (Univariate) (N = 104). Table S2. Prognostic factors for overall survival (multivariable) (N = 104). Table S3. Toxicities in stage III and IV patients with h-R3/RT and CDDP/RT (N = 78). Table S4. Assignment expressions for factors in the table of patients’ characteristics. Table S5. Patients’ compliance (104 cases). Table S6. Neoadjuvant chemotherapy was recommended by NCCN guidelines of Head and Neck Cancer. Table S7. General information for all 302 patients of CDDP/RT and h-R3/RT group. Table S8. Prognostic factors for Overall Survival of all 302 patients (Univariate). Table S9. Prognostic factors for Overall Survival of all 302 patients (Multivariable). (ZIP 437 kb

Additional file 2: Figure S1. of A retrospective paired study: efficacy and toxicity of nimotuzumab versus cisplatin concurrent with radiotherapy in nasopharyngeal carcinoma

Overall survival of stage II patients who received h-R3/RT or CDDP/RT. Figure S2. Overall survival of patients aged more than 60 years old who received h-R3/RT or CDDP/RT. Figure S3. Overall survival in stage III and IV patients with h-R3/RT and CDDP/RT. (ZIP 12 kb

Gold Complexes for Focused-Electron-Beam-Induced Deposition

Four gold complexes were tested as a precursor for focused-electron-beam-induced deposition: [ClAu^IIIMe₂]₂, ClAu^I(SMe₂), ClAu^I(PMe₃), and MeAu^I(PMe₃). Complexes [ClAu^IIIMe₂]₂ and MeAu^I(PMe₃) are volatile, have sufficient vapor pressure at room temperature for deposition experiments, and were found to yield deposits that contain gold (29–41 and 19–25 atom %, respectively). Electrons easily remove the Cl ligand from [ClAu^IIIMe₂]₂, and predominantly both methyl ligands are incorporated into the deposit. Electrons remove at least one methyl group from MeAu^I(PMe₃). Complexes ClAu^I(SMe₂) and ClAu^I(PMe₃) are not suitable as a precursor. They dissociate in vacuum, and the only volatile components are Cl, SMe₂, and PMe₃, respectively

sj-docx-1-jdr-10.1177_00220345231182052 – Supplemental material for Fibulin-1 Regulates Initiation of Successional Dental Lamina

Supplemental material, sj-docx-1-jdr-10.1177_00220345231182052 for Fibulin-1 Regulates Initiation of Successional Dental Lamina by G. Li, Q. Li, Z. Shen, X. Lin, X. Li, J. Wang, B. Zhao, Y. Feng, L. Feng, W. Guo, L. Hu, J. Wang, C. Zhang, Z. Fan, S. Wang and X. Wu in Journal of Dental Research</p