bluuebunny/crossref_metadata_2025 huggingface dataset:
Specific angiogenic peptide binding with injectable cardiac ECM collagen gel promotes the recovery of myocardial infarction in rat
Authors: Feng Manman , Liu Xinyu , Hou Xianglin , Chen Jixuan , Zhang Hong , Song Siqi , Han Xiaohua , Shi Chunying
Published: April 2020

Restoring blood supply is an effective way for the therapy of myocardial infarction (MI). It was reported a specific angiogenic peptide (VMP) derived from vascular endothelial growth factor (VEGF) could activate its receptor to mimic the biological activity of VEGF. In this study, in order to improve the local concentration in infarction region, a collagen‐binding domain was synthesized with VMP to construct collagen binding domain (CBD)‐VMP peptides. The fused CBD‐VMP could bind specifically to collagen which was rich in cardiac extracellular matrix (c‐ECM), without impacting the biological activity of VMP peptides. When the CBD‐VMP peptides loaded on collagen scaffold and implanted into the rats subcutaneously, significant vascularization was observed. Then, CBD‐VMP peptides binding with injectable c‐ECM injected into the MI rat by intramuscular administration, significant blood vessels regeneration, and decrease of cell apoptosis were observed, that corelated with the recovery of cardiac function. It might be an alternative promising strategy for the clinical application of MI.
The Effect of Biochemical Remission on Bone Metabolism in Cushing's Syndrome: A 2-Year Follow-Up Study
Authors: Braun Leah T , Fazel Julia , Zopp Stephanie , Benedix Sarina , Osswald-Kopp Andrea , Riester Anna , Rubinstein German , Seidensticker Max , Beuschlein Felix , Drey Michael , Bidlingmaier Martin , Schmidmaier Ralf , Reincke Martin
Published: April 2020

Endogenous Cushing's syndrome (CS) is a rare cause of secondary osteoporosis. The long-term consequences for bone metabolism after successful surgical treatment remain largely unknown. We assessed bone mineral density and fracture rates in 89 patients with confirmed Cushing's syndrome at the time of diagnosis and 2 years after successful tumor resection. We determined five bone turnover markers at the time of diagnosis, 1 and 2 years postoperatively. The bone turnover markers osteocalcin, intact procollagen-IN-propeptide (PINP), alkaline bone phosphatase, CTX-I, and TrAcP 5b were measured in plasma or serum by chemiluminescent immunoassays. For comparison, 71 sex-, age-, and body mass index (BMI)-matched patients in whom Cushing's syndrome had been excluded were studied. None of the patients received specific osteoanabolic treatment. At time of diagnosis, 69% of the patients had low bone mass (mean T-score = −1.4 ± 1.1). Two years after successful surgery, the T-score had improved in 78% of patients (mean T-score 2 years postoperatively −1.0 ± 0.9). The bone formation markers osteocalcin and intact PINP were significantly decreased at time of diagnosis (p ≤ 0.001 and p = 0.03, respectively), and the bone resorption marker CTX-I and TrAcP 5b increased. Postoperatively, the bone formation markers showed a three- to fourfold increase 1 year postoperatively, with a moderate decline thereafter. The bone resorption markers showed a similar but less pronounced course. This study shows that the phase immediately after surgical remission from endogenous CS is characterized by a high rate of bone turnover resulting in a striking net increase in bone mineral density in the majority of patients. © 2020 The Authors. Journal of Bone and Mineral Research published by American Society for Bone and Mineral Research.
Right coronary artery‐coronary sinus fistula diagnosed by three‐dimensional echocardiography
Authors: Li Xiao‐dong , Zhang Yan‐li , Su Qiao‐hui , Wang Xiao‐cong , Xu Hui
Published: April 2020

Right coronary artery‐coronary sinus fistula is a very rare congenital anomaly in which a right coronary artery fistula drains into the right atrium, right ventricle, or pulmonary artery. A right coronary artery‐coronary sinus fistula was diagnosed in a 44‐year‐old man by three‐dimensional echocardiography and confirmed by computed tomography angiography and surgery. Relevant published experience in diagnosing this kind of anomaly is summarized.
The responses of metabolic rate and neuropeptides to food deprivation in striped hamsters (Cricetulus barabensis) with different basal metabolic rate
Authors: Wen Jing , Chi Qing‐Sheng , Wang De‐Hua , Zhao Zhi‐Jun
Published: April 2020

High basal metabolic rate (BMR) is related to a powerful metabolic engine even under food shortage, which can lead to high levels of daily energy expenditure and requires more energy for maintenance in small mammals. To test the hypothesis that animals with different BMR levels respond differently to food shortage, we compared the changes in metabolism, morphology, and gene expression in response to food deprivation (FD) in male‐striped hamsters (Cricetulus barabensis) with low (L)‐ or high (H)‐BMR levels. After 36 hr of FD, energy expenditure, metabolic rate (MR), mass of body composition, and leptin and agouti‐related peptide gene expressions in the white adipose tissues and the hypothalamus, respectively, decreased significantly in hamsters. The energy expenditure of H‐BMR hamsters was reduced more than that of L‐BMR hamsters after 36 hr of FD. Furthermore, MR was significantly reduced by FD, and that of the H‐BMR group decreased more than that of the L‐BMR group during the daytime. Therefore, our data suggest that striped hamsters with different BMR display different responses to variations in food availability. During FD, MR in H‐BMR hamsters was more flexible than that in L‐BMR animals and L‐BMR hamsters could not reduce their MR any lower.
Synthesis and combustion catalytic activity of ferrocene‐based energetic compounds
Authors: Huang Shiqi , Yang Rong , Wang Jiaodan , Chang Shuai , Gou Xiaofeng , Hua Chengwen , Zhao Junlong
Published: April 2020

Ammonium perchlorate (AP) is a common oxidizer in composite solid rocket propellants due to its excellent burning characteristics, good processability, and storability. Owing to their outstanding catalytic effects, ferrocene, and its derivatives have become the most widely used burning rate catalysts (BRCs). The addition of ferrocene and its derivatives to AP rendered performance optimization. In this study, azole‐based ferrocenyl compounds were successfully synthesized. The compounds were characterized by single‐crystal X‐ray diffraction, UV‐vis spectroscopy, and other techniques. The thermal degradation of AP catalyzed by these compounds was evaluated by differential scanning calorimetry and thermogravimetric analysis. Results revealed that the decomposition peak temperature of AP dramatically decreases and that the released heat of AP significantly increases with the new compounds as additives. Hence, the six azole‐based ferrocenyl BR catalysts are favorable for the combustion catalytic activity.
Multiparametric MRI‐Based Radiomics Nomogram for Predicting Lymphovascular Space Invasion in Endometrial Carcinoma
Authors: Luo Yan , Mei Dongdong , Gong Jingshan , Zuo Min , Guo Xiaojing
Published: April 2020

Background

Lymphovascular space invasion (LVSI) of endometrial carcinoma (EMC) is one of the important prognostic factors, which is not usually visible subjectively. Therefore, clinicians lack imaging‐based evidence about LVSI for preoperative treatment decision‐making.

Purpose

To develop a multiparametric MRI (mpMRI)‐based radiomics nomogram for predicting LVSI in EMC and provide decision‐making support to clinicians.

Study Type

Retrospective.

Population

In all, 144 patients with histologically confirmed EMC, 101 patients in a training cohort, and 43 patients in a test cohort.

Field Strength/Sequence

T2WI, contrast enhanced‐T1WI, and diffusion‐weighted imaging (DWI) at 3.0T MRI.

Assessment

Tumors were independently segmented images by two radiologists. Two pathologists reviewed the tissue specimens of the tumors to identify the existence of LVSI in consensus.

Statistical Tests

The intraclass correlation coefficient was used to test the reliability and least absolute shrinkage and selection operator (LASSO) regression for features selection and then developed a radiomics signature named Rad‐score. A nomogram was developed in the training cohort. The diagnostic performance of the nomogram model was assessed by area under the curve (AUC) of the receiver operator characteristic (ROC) in the training and test cohort, respectively.

Results

LVSI was identified in 32 patients (22.2%). Older age and high grade were correlated with LVSI at univariate analysis. There were five radiomics features that were identified as independent risk factors for LVSI by LASSO regression. Based on age, grade, and Rad‐score, the AUC values of the nomogram model to predict LVSI in the training and test cohort were 0.820 (95% confidence interval [CI]: 0.725, 0.916; sensitivity: 82.6%, specificity: 72.9%), 0.807 (95% CI: 0.673, 0.941; sensitivity: 77.8%, specificity: 78.6%), respectively.

Data Conclusion

The radiomic‐based machine‐learning model using a nomogram algorithm achieved high diagnostic performance for predicting LVSI of EMC preoperatively, which could enhance risk stratification and provide support for therapeutic decision‐making.

Level of Evidence

2.

Technical Efficacy Stage

3. J. Magn. Reson. Imaging 2020;52:1257–1262.
Qualitative and quantitative analysis of pyrrolizidine alkaloids for the entire process quality control from Senecio scandens to Senecio scandens‐containing preparations by high performance liquid chromatography‐tandem mass spectrometry
Authors: Wang Yue , Li Yangyu , Cang Song , Cai Qian , Xu Hongsheng , Wang Youzhi , Liu Ran , Xu Huarong , Li Qing
Published: April 2020

Senecio scandens as a commonly used traditional Chinese medicine that is used alone or in combination with other herbs in preparations such as QianBai BiYan tablets has attracted much attention because of its hepatotoxic pyrrolizidine alkaloids. Nowadays, most studies for pyrrolizidine alkaloids are only performed on herbs or a preparation, however, production of preparations is a dynamic process, control of toxic impurities for raw materials, or finished products cannot monitor the production process dynamically. Thus, in this study, qualitative and quantitative analysis of pyrrolizidine alkaloids for the entire process quality control from S. scandens to its preparations was carried out with HPLC‐MS/MS for the first time, which was more comprehensive and dynamic than the previous single‐layer analysis. First, the species of pyrrolizidine alkaloids in S. scandens were analyzed, and the characteristic fragmentation rules of pyrrolizidine alkaloids containing common parent nucleus were found, which can be used to identify these components rapidly in the future. Then, a quantitative method for S. scandens to QianBai BiYan tablets and other nine S. scandens‐containing preparations was established, and after the medication safety speculation, all of them met the relevant safety requirements. After that, in order to ensure the stability and controllable of drug quality, the limit of pyrrolizidine alkaloids in preparations was determined according to the safe dosage that is stipulated to be the same as raw materials. Finally, the factors causing the content change of pyrrolizidine alkaloids in S. scandens from different source were studies, which can provide theoretical basis for selecting suitable raw materials for production.
Epidemiological trends of COVID‐19 epidemic in Italy over March 2020: From 1000 to 100 000 cases
Authors: La Maestra Sebastiano , Abbondandolo Angelo , De Flora Silvio
Published: April 2020

The coronavirus disease 2019 epidemic started in Italy by the end of January 2020 and, after 1 month, it affected 1049 persons. Based on the Italian Ministry of Health data, we reconstructed the daily course of virus‐positive cases and deaths over March 2020 for the whole of Italy, 19 regions and 2 provinces. From 29 February to 31 March, there was a 100.9‐fold increase in the cumulative number of cases and a 428.6‐fold increase in the number of deaths in Italy. When plotted on a semilogarithmic scale, the curves tended to diverge from linearity with 23%, 16%, and 7% average daily increases during the three decades of March. Similarly, the number of deaths decreased from an average daily growth of 19% over the second decade to 10% over the third decade. The correlation coefficients relating the days to cases or deaths over each one of the three decades approached unity. As inferred from the equations of the regression lines relative to the three decades, the doubling times of cases were 3.4, 5.1, and 9.6 days, respectively. The doubling times of deaths over the second and third decades were 4.9 and 7.0 days, respectively. There was a broad geographic variability, with a striking gradient from the North, where 40.8% of cases and 57.9% of deaths occurred in Lombardy, to the South. On the whole, over March there was a trend to epidemic growth decline but the time for the end of the epidemic will depend on a variety of factors and, at present, it is unpredictable.
It is all about the bottom line: Group bottom‐line mentality, psychological safety, and group creativity
Authors: Greenbaum Rebecca L. , Bonner Julena M. , Mawritz Mary B. , Butts Marcus M. , Smith Mickey B.
Published: April 2020

We examine bottom‐line mentality (BLM) at the group level and examine the effect of group BLM on group psychological safety and subsequent group creativity. We draw on goal shielding theory to suggest that groups high in BLM narrowly focus on bottom‐line outcomes, which encourages them to eliminate distracting considerations from their work processes. Because the group's high BLM encapsulates goal shielding, these groups are deficient in fostering psychological safety as an important interpersonal process that facilitates group creativity. We also couple goal shielding theory with arguments related to situational strength to examine group BLM agreement (i.e., the standard deviation of the mean of group BLM) as a first stage moderator. We contend that high‐BLM agreement (vs. low agreement) strengthens the goal shielding effect of group BLM, which is reflected by a stronger detrimental effect on group psychological safety that then reduces group creativity. We found support for our theoretical model using multisource, multiwave field data from a diverse sample of workgroups and their supervisors. We discuss the theoretical implications of our research and provide practical suggestions for limiting the deleterious consequences of group BLMs in the workplace.
Coupled 3D master equation and 1D drift‐diffusion approach for advanced OLED modeling
Authors: Zeder Simon , Kirsch Christoph , Aeberhard Urs , Blülle Balthasar , Jenatsch Sandra , Ruhstaller Beat
Published: April 2020

A novel simulation approach for excitonic organic light‐emitting diodes (OLEDs) is established by combining a continuous one‐dimensional (1D) drift‐diffusion (DD) model for the charge carrier dynamics with a three‐dimensional (3D) master equation (ME) model describing the exciton dynamics in a multilayer OLED stack with an additional coupling to a thin‐film optics solver. This approach effectively combines the computational efficiency of the 1D DD solver with the physical accuracy of a discrete 3D ME model, where excitonic long‐range interactions for energy transfer can be taken into account. The coupling is established through different possible charge recombination types as well as the carrier densities themselves. We show that such a hybrid approach can efficiently and accurately describe steady‐state and transient behavior of optoelectronic devices reported in literature. Such a tool will facilitate the optimization and characterization of multilayer OLEDs and other organic semiconductor devices.
Clinical and Ultrasound Evaluation of Early Threatened Miscarriage to Predict Pregnancy Continuation up to 28 Weeks
Authors: Shaamash Ayman H. , Aly Hany A. , Abdel‐Aleem Mahmoud , Akhnowkh Seham N.
Published: April 2020

Objectives

(1) To study the predictors of pregnancy continuation up to 28 weeks in first‐trimester threatened miscarriage after a single clinical and ultrasound (US) evaluation. (2) To assess the role of both clinical and US predictors in counseling and decreasing repeated emergency follow‐up scans.

Methods

A prospective observational study that included a cohort of 241 patients with threatened miscarriage (≥6–12 weeks) was conducted. They had a single clinical and US evaluation, and then they were contacted by weekly phone calls until completing 28 weeks’ gestation or reporting miscarriage. Independently, all patients were followed by the recommended routine US scanning with or without emergency visits.

Results

Two hundred thirty‐three patients completed the study, of whom 193 patients continued up to 28 weeks’ gestation, and 40 miscarried (17.1%). Only spotting/mild bleeding episodes and progesterone treatment were the clinical predictors of fetal viability. The embryonic/fetal heart rate (E/FHR) was the best single US predictor, with a specificity and positive predictive value of 95.3% and 97.2%, respectively. Combining 3 US parameters, at their best cutoff points (E/FHR >113 beats per minute, crown‐rump length >19.9 mm, and gestational sac diameter >27.3 mm), had a specificity and positive predictive value of 98% and 99% (first‐trimester US triad of fetal viability).

Conclusions

[1] In first‐trimester threatened miscarriage, clinical parameters that could predict fetal viability included spotting/ mild bleeding and progesterone treatment. [2] After a single US scan, the presence of at least an E/FHR of greater than 113 bpm or the suggested first‐trimester US triad appeared as a simple, measurable, and effective predictor of pregnancy continuation up to 28 weeks. [3] These US predictors are not to replace the recommended scheduled scanning during pregnancy. [4] This can improve patients' counseling and decrease the need for repeated emergency follow‐up scans. Otherwise, there is an indication for repeating US scans at a 1‐week to 10‐day interval.
Abnormally slow reaction of oppositely charged ions: The kinetics of dopamine hydrochloride oxidation by ammonium peroxydisulfate
Authors: Mezhuev Yaroslav O. , Varankin Alexander V. , Luss Anna L. , Dyatlov Valerie A. , Tsatsakis Aristides M. , Stratidakis Antonios K. , Korshak Yuri V.
Published: April 2020

The kinetic curves for oxidation of dopamine hydrochloride in aqueous solution in the presence of ammonium peroxydisulfate were obtained by UV–vis spectroscopy and potentiometry. It was shown that the reaction follows the first‐order kinetic equation and proceeds at a low rate. The values for the activation energy and the preexponential factor were determined as 75 kJ × mol−1 and 4 × 108 s−1, respectively. The activation entropy was found having a negative value of −89 J × mol−1 × K−1. The first reaction order, the low preexponential factor and the negative activation entropy value for the reaction between the 2‐(3,4‐dihydroxyphenyl)ethanammonium cation and the peroxydisulfate anion were explained by the formation of ionic associates, which slowly enter into the internal redox reaction.
Outcome for Pediatric Recipients of Macrosteatotic Liver Grafts From Living Donors
Authors: Irie Rie , Nakazawa Atsuko , Sakamoto Seisuke , Takeda Masahiro , Yanagi Yusuke , Shimizu Seiichi , Uchida Hajime , Fukuda Akinari , Kasahara Mureo
Published: April 2020

In deceased donor liver transplantation, a donor liver with moderate (>30%) macrosteatosis used to be considered inappropriate for grafting. We examined the outcomes of children who underwent living donor liver transplantation (LDLT) at the National Center for Child Health and Development whose donor livers had moderate‐to‐severe macrosteatosis. Twelve children were enrolled who had received a moderate‐to‐severe macrosteatotic liver graft and underwent liver biopsy soon after LDLT. The primary diseases were biliary atresia in 7 patients, acute liver failure in 3 patients, glycogen storage disease type 1 in 1 patient, and primary sclerosing cholangitis in 1 patient. Median age was 11 months. There were 4 recipients who received grafts from their fathers, and 8 received grafts from their mothers. Median donor age was 35.5 years. We compared the degree of donor liver steatosis with the results of graft liver biopsies that were collected 4‐105 days after LDLT. The levels of donor liver macrovesicular steatosis were moderate (34%‐66%) in 9 patients and severe (>66%) in 3 patients. The nonalcoholic fatty liver disease activity score was 3 in 7 patients and 4 in 5 patients. Shortly after LDLT, 11 of 12 patients showed improvement in steatosis compared with the donor livers. One biopsy specimen taken 22 days after LDLT showed 60% macrosteatosis, which was the same as that in the donor liver. However, this patient was alive and well 6 years after LDLT. One patient died after LDLT because of infection and respiratory failure. The levels of steatosis of the donor liver grafts improved soon after LDLT in children, and the outcomes of children receiving a moderate‐to‐severe macrosteatotic liver from their parents were excellent.
A novel PCDH19 missense mutation, c.812G>A (p.Gly271Asp), identified using whole‐exome sequencing in a Chinese family with epilepsy female restricted mental retardation syndrome
Authors: Zhao Xuechao , Wang Yanhong , Mei Shiyue , Kong Xiangdong
Published: April 2020

Background

Epilepsy limited to females with mental retardation (EFMR) is a rare type of epilepsy with an X‐linked mode of inheritance, which affect heterozygous females while the males are not affected. Mutations within the protocadherin 19 (PCDH19) gene have been identified as the direct cause of EFMR. The phenotype of EFMR is characterized by seizure onset in infancy with or without cognitive impairment, intellectual disturbances, and autistic features.

Methods

Whole‐exome sequencing (WES) was performed in the proband to identify the underlying genetic mutations. The candidate genes were confirmed by Sanger sequencing following PCR amplification. In silico analyses were conducted to predict the effect of the novel missense mutation on the function of PCDH19 protein.

Results

We identified three female patients in a family with a novel missense mutation in PCDH19, c.812G>A (p. (Gly271Asp)). The patients III‐1 and III‐2 presented with more severe clinical phenotypes and an earlier age of onset (6 and 11 months, respectively), intellectual disability, and movement disorders. By contrast, patient II‐4 has a later age of onset (23 months), and there was no relapse of seizures without antiepileptic treatment after the age of six. In silico analyses showed that p. (Gly271Asp) in the PCDH19 affects a highly conserved residue.

Conclusions

Our results indicated that patients with the same PCDH19 mutation in a family may show intrafamilial phenotypic variability. Givening the mother of the proband was 18 weeks pregnant and intends to have a prenatal diagnosis, the more reasonable and less harmful strategies for prenatal diagnosis could be chosen based on the results of noninvasive prenatal testing and genetic testing.
Technical Note: Nuclear imaging with an x‐ray flat panel detector: A proof‐of‐concept study
Authors: Dietze Martijn M. A. , Koppert Wilco J. C. , van Rooij Rob , de Jong Hugo W. A. M.
Published: April 2020

Purpose

Interventional procedures involving radionuclides (e.g., radioembolization) would benefit from single‐photon emission computed tomography (SPECT) performed in the intervention room because the activity distribution could be immediately visualized. We believe it might be possible to perform SPECT with the C‐arm cone beam computed tomography (CBCT) scanner present in the intervention room by equipping the x‐ray flat panel detector with a collimator. The purpose of this study is to demonstrate the approach and to investigate the achievable SPECT reconstruction quality.

Methods

A proof‐of‐concept experiment was performed to evaluate the possibility of nuclear imaging with an x‐ray flat panel detector. The experiment was digitally replicated to study the accuracy of the simulations. Three flat panel configurations (with standard hardware and reconstruction methodology, with sophisticated reconstruction methodology, and with expected future hardware) and a conventional gamma camera were evaluated. The Jaszczak and the NEMA IQ phantom (filled with 99mTc) were simulated and assessed on resolution and contrast‐to‐noise ratio (CNR).

Results

The proof‐of‐concept experiment demonstrated that nuclear images could be obtained from the flat panel detector. The simulation of the same configuration demonstrated that simulations could accurately predict the flat panel detector response. The CNR of the 37 mm sphere in the NEMA IQ phantom was 22.8 ± 1.2 for the gamma camera reconstructions, while it was 11.3 ± 0.7 for the standard flat panel detector. With sophisticated reconstruction methodology, the CNR improved to 13.5 ± 1.4. The CNR can be expected to advance to 18.1 ± 1.3 for future flat panel detectors.

Conclusions

The x‐ray flat panel detector of a CBCT scanner might be used to perform nuclear imaging. The SPECT reconstruction quality will be lower than that achieved by a conventional gamma camera. The flat panel detector approach could, however, be useful in providing a cost‐effective alternative to the purchase of a mobile SPECT scanner for enabling interventional scanning.
Straightforward Synthesis and Evaluation of Polymeric Sensing Materials for Acetone Detection
Authors: Scott Alison J. , Majdabadifarahani Noushin , Stewart Katherine M. E. , Duever Thomas A. , Penlidis Alexander
Published: April 2020

Three polymeric materials (polyaniline, polypyrrole, and poly(methyl methacrylate)) are selected, prepared, and evaluated for potential use in acetone sensing (for possible diabetes‐related applications). Of the materials studied, polyaniline and polypyrrole show the most promise. Polypyrrole allows for more acetone sorption (i.e., higher concentration of acetone sorbed), but does not distinguish between different target analytes (that is, it is not selective). A material's ability to distinguish between several gas analytes simultaneously (in a gas mixture) is rarely evaluated; selectivity is typically based on a “one‐analyte‐at‐a‐time” investigation. However, comparison of acetone sorption (in one experimental test) and interferent sorption (in a complementary experimental test) does not consider interactions that might occur between gas analytes; this motivates the sorption analysis of gas mixtures that is shown in this work. The most promising results are obtained when polyaniline or polypyrrole is exposed to acetone‐rich gas mixtures with low amounts of acetaldehyde, ethanol, and benzene (interferent gases). Polymer doping using three metal oxides (SnO2, WO3, and ZnO) is also investigated, but metal oxide addition has a limited effect on the sorption performance. This is true for all three metal oxides, regardless of the amount of doping (over the range studied; up to 20 wt%).
Deep learning‐based reconstruction of in vivo pelvis conductivity with a 3D patch‐based convolutional neural network trained on simulated MR data
Authors: Gavazzi Soraya , van den Berg Cornelis A. T. , Savenije Mark H. F. , Kok H. Petra , de Boer Peter , Stalpers Lukas J. A. , Lagendijk Jan J. W. , Crezee Hans , van Lier Astrid L. H. M. W.
Published: April 2020

Purpose

To demonstrate that mapping pelvis conductivity at 3T with deep learning (DL) is feasible.

Methods

210 dielectric pelvic models were generated based on CT scans of 42 cervical cancer patients. For all dielectric models, electromagnetic and MR simulations with realistic accuracy and precision were performed to obtain
and transceive phase (ϕ±). Simulated
and ϕ± served as input to a 3D patch‐based convolutional neural network, which was trained in a supervised fashion to retrieve the conductivity. The same network architecture was retrained using only ϕ± in input. Both network configurations were tested on simulated MR data and their conductivity reconstruction accuracy and precision were assessed. Furthermore, both network configurations were used to reconstruct conductivity maps from a healthy volunteer and two cervical cancer patients. DL‐based conductivity was compared in vivo and in silico to Helmholtz‐based (H‐EPT) conductivity.

Results

Conductivity maps obtained from both network configurations were comparable. Accuracy was assessed by mean error (ME) with respect to ground truth conductivity. On average, ME < 0.1 Sm−1 for all tissues. Maximum MEs were 0.2 Sm−1 for muscle and tumour, and 0.4 Sm−1 for bladder. Precision was indicated with the difference between 90th and 10th conductivity percentiles, and was below 0.1 Sm−1 for fat, bone and muscle, 0.2 Sm−1 for tumour and 0.3 Sm−1 for bladder. In vivo, DL‐based conductivity had median values in agreement with H‐EPT values, but a higher precision.

Conclusion

Anatomically detailed, noise‐robust 3D conductivity maps with good sensitivity to tissue conductivity variations were reconstructed in the pelvis with DL.
A gravitropic stimulus alters the distribution of EHB1, a negative effector of root gravitropism in Arabidopsis
Authors: Rath Magnus , Dümmer Michaela , Galland Paul , Forreiter Christoph
Published: April 2020

In Arabidopsis gravitropism is affected by two antagonistically interacting proteins, AGD12 (ADP‐RIBOSYLATION FACTOR GTPase‐ACTIVATING PROTEIN) and EHB1 (ENHANCED BENDING 1). While AGD12 enhances gravitropic bending, EHB1 functions as a negative element. To further characterize their cellular function, we analyzed the location of AGD12‐GFP and EHB1‐GFP fusion proteins in the root apex by confocal laser‐scanning microscopy after gravitropic stimulation. For this purpose, a novel method of microscopic visualization was developed with the objective and root axes aligned allowing an improved and comparable discernment of the fluorescence gradient across the columella. In vertical roots, both proteins were localized symmetrically and occurred preferentially in the outer layers of the columella. After reorienting roots horizontally, EHB1‐GFP accumulated in the upper cell layers of the columella, that is, opposite to the gravity vector. The gravity‐induced EHB1‐GFP asymmetry disappeared after reorienting the roots back into the vertical position. No such asymmetry occurred with AGD12‐GFP. Our findings reveal that after a gravitropic stimulus the cellular ratio between EHB1 and AGD12 is affected differently in the upper and lower part of the root. Its impact as a significant signaling event that ultimately affects the redirection of the lateral auxin flux toward the lower site of the root is discussed.
Synthesis of tri‐aryl ether epoxy resin isomers and their cure with diamino diphenyl sulphone
Authors: Reyes Larry Q. , Zhang Jane , Dao Buu , Varley Russell J.
Published: April 2020

The synthesis of bi‐ and tetra‐functional tri‐aryl ether epoxy resin isomers and their subsequent cure with 44 diamino diphenyl sulphone (DDS) is presented here. The effect of varying aromatic substitution and cross‐link density on the structure, property, and processing relationships is explored for 1,3 bis(3‐glycidyloxyphenoxy)benzene (133 BGOPB), 1,4 bis(4‐glycidyloxyphenoxy)benzene (144 BGOPB), N,N,N,N‐tetraglycidyl 1,3‐bis (3‐aminophenoxy) benzene (133 TGAPB), and N,N,N,N‐tetraglycidyl 1,4‐bis (4‐aminophenoxy) benzene (144 TGAPB). Meta substitution to the aromatic ring reduces the rate of reaction, glass transition temperature, yield strain and crosslink density, coefficient of thermal expansion, and side reactions, while increasing strain softening, compressive modulus and strength, and methyl ethyl ketone ingress. Increasing crosslink density increases the glass transition temperature, promotes side reactions during cure, and increases compressive modulus, strength, and yield strain, while reducing coefficients of thermal expansion, methyl ethyl ketone ingress, and density. The results are discussed in terms of packing efficiency of the meta‐substituted epoxy resins and the role of short range molecular mobility caused by the lack of an aromatic axis of rotation.
Pharmacokinetics, mass balance, tissue distribution, metabolism, and excretion of praliciguat, a clinical‐stage soluble guanylate cyclase stimulator in rats
Authors: Banijamali Ali R. , Carvalho Andrew E. , Wakefield James D. , Germano Peter , Barden Timothy C. , Tobin Jenny V. , Zimmer Daniel P. , Masferrer Jaime L. , Profy Albert T. , Currie Mark G. , Todd Milne G.
Published: April 2020

The pharmacokinetics (PK), metabolism, excretion, mass balance, and tissue distribution of [14C]praliciguat were evaluated following oral administration of a 3‐mg/kg dose in Sprague‐Dawley rats and in a quantitative whole‐body autoradiography (QWBA) study conducted in male Long‐Evans rats. Plasma Tmax was 1 hour and the t1/2 of total plasma radioactivity was 23.7 hours. Unchanged praliciguat accounted for 87.4%, and a minor metabolite (N‐dealkylated‐praliciguat) accounted for 7.6% of the total radioactivity in plasma through 48 hours (AUC0‐48). Tissues with the highest exposure ratios relative to plasma were liver, intestines, adrenal gland, and adipose, and those with the lowest values were seminal vesicle, blood, CNS tissues, lens of the eye, and bone. Most of the [14C]praliciguat‐derived radioactivity was excreted within 48 hours after oral administration. Mean cumulative recovery of the administered radioactivity in urine and feces over 168 hours was 3.7% and 95.7%, respectively. Unchanged praliciguat was not quantifiable in urine or bile of cannulated rats; however, based on the total radioactivity in these fluids, a minimum of approximately 82% of the orally administered dose was absorbed. [14C]Praliciguat was metabolized via oxidative and glucuronidation pathways and the most abundant metabolites recovered in bile were praliciguat‐glucuronide and hydroxy‐praliciguat‐glucuronide. These results indicate that praliciguat had rapid absorption, high bioavailability, extensive tissue distribution, and elimination primarily via hepatic metabolism.
Effects of Components Modulation on the Type of Band Alignments for PbI2/WS2 van der Waals Heterostructure
Authors: Qian Meng-Ya , Yu Zhuo-Liang , Wan Qiang , He Peng-Bin , Liu Biao , Yang Jun-Liang , Xu Chun-Mei , Cai Meng-Qiu
Published: April 2020

Building semiconductor‐based van der Waals heterostructures (vdWHs) based on 2D materials can integrate the excellent properties of single materials to promote the development of an application for optoelectronics. In general, semiconductor‐based vdWHs have different types of band alignments related to the performance of equipment. However, it is greatly challenging to achieve controllable types of band alignment for a single heterojunction. Herein, the electronic and optical properties of the lead iodide/tungsten disulfide (PbI2/WS2) heterostructure are investigated systematically by density functional theory (DFT) calculation. A Type‐I–Type‐II transition of band alignments in PbI2/WS2 vdWHs is achieved by partly replacing the S atom in WS2 monolayer with Se atom. The reason lies in the change of band structure which can be attributed to a transformation in the conduction band minimum (CBM) from the W 5d and S 3p states to Pb 6p orbital in PbI2/WS2 vdWHs. Moreover, the averaged hole carrier effective mass of the PbI2/WSe2 vdWH has a minimum. The results may provide a direction to explore the transformation in band alignment in semiconductor‐based vdWHs for potential photoelectric applications.
Melatonin: Roles in influenza, Covid‐19, and other viral infections
Authors: Anderson George , Reiter Russel J.
Published: April 2020

There is a growing appreciation that the regulation of the melatonergic pathways, both pineal and systemic, may be an important aspect in how viruses drive the cellular changes that underpin their control of cellular function. We review the melatonergic pathway role in viral infections, emphasizing influenza and covid‐19 infections. Viral, or preexistent, suppression of pineal melatonin disinhibits neutrophil attraction, thereby contributing to an initial “cytokine storm”, as well as the regulation of other immune cells. Melatonin induces the circadian gene, Bmal1, which disinhibits the pyruvate dehydrogenase complex (PDC), countering viral inhibition of Bmal1/PDC. PDC drives mitochondrial conversion of pyruvate to acetyl‐coenzyme A (acetyl‐CoA), thereby increasing the tricarboxylic acid cycle, oxidative phosphorylation, and ATP production. Pineal melatonin suppression attenuates this, preventing the circadian “resetting” of mitochondrial metabolism. This is especially relevant in immune cells, where shifting metabolism from glycolytic to oxidative phosphorylation, switches cells from reactive to quiescent phenotypes. Acetyl‐CoA is a necessary cosubstrate for arylalkylamine N‐acetyltransferase, providing an acetyl group to serotonin, and thereby initiating the melatonergic pathway. Consequently, pineal melatonin regulates mitochondrial melatonin and immune cell phenotype. Virus‐ and cytokine‐storm‐driven control of the pineal and mitochondrial melatonergic pathway therefore regulates immune responses. Virus‐and cytokine storm‐driven changes also increase gut permeability and dysbiosis, thereby suppressing levels of the short‐chain fatty acid, butyrate, and increasing circulating lipopolysaccharide (LPS). The alterations in butyrate and LPS can promote viral replication and host symptom severity via impacts on the melatonergic pathway. Focussing on immune regulators has treatment implications for covid‐19 and other viral infections.
Polypyrrole‐Based Nanohybrid Electrodes: Their Preparation and Potential Use for DNA Recognition and Paclitaxel Quantification
Authors: Kuralay Filiz , Dükar Nilgün
Published: April 2020

Fabrication of conducting polymer networks based on polypyrrole/multi‐walled carbon nanotubes (PPy/MWCNTs) modified graphite electrodes that were achieved with a single‐step electropolymerization and potential use of these electrodes for deoxyribonucleic acid (DNA) recognition and anticancer drug (Paclitaxel, PTX) quantification were presented in the present work. PPy/MWCNTs nanohybrid PGEs were constructed in aqueous solution of pyrrole (Py) and MWCNTs using cyclic voltammetry (CV) and constant potential electrolysis. So‐formed electrodes were characterized with cyclic voltammetry and electrochemical impedance spectroscopy (EIS). Surface morphologies of the surfaces were investigated by scanning electron microscopy (SEM) studies. Bio‐application of the PPy/MWCNTs nanohybrid modified PGEs were accomplished by subjecting them to double‐stranded DNA (dsDNA) modification for direct DNA recognition and PTX determination. For the drug determination, interaction of DNA‐based electrodes with PTX was investigated. Detection limit was found as 1.55 x 10−8 M based on the changes in the oxidation of guanine base which made the proposed electrode convenient for clinical trials.
Room‐Temperature Self‐Healing and Reprocessable Waterborne Polyurethane with Dynamically Exchangeable Disulfide Bonds
Authors: Zhang Mengyun , Zhao Fengqi , Xin Wei , Luo Yunjun
Published: April 2020

Recently, covalent adaptable networks (CANs) based on dynamic exchange reactions have been synthesized, and the research on these materials has been mainly focused on the self‐healing behavior and reprocessing properties of CANs. Disulfide bonds can be considered to be a type of dynamic reversible covalent bonds, and exchange reactions of disulfide bonds proceed easily at mild temperatures, which endow materials containing disulfide bonds with self‐healing properties and the reprocessability under suitable conditions. Herein, we synthesized a type of waterborne polyurethane (WPU) CAN incorporated with disulfide bonds. A reasonable structural design was used in conjunction with a self‐healing kinetic analysis to predict that the highest performing CWPU‐8 sample could repair a microcrack at room temperature, which was verified by optical microscopy observations combined with self‐healing mechanics. The most important feature of this material is its reprocessing property, which was investigated by rheology tests. These assessments demonstrate that the self‐healing behavior and the reprocessability are closely related to exchange reactions of disulfide bonds, and the structure‐property relationship provides deep insights into the CANs chemistry.
Synthesis and Biological Evaluation of New 1,2,3‐Triazolyl‐Pyrazolyl‐Quinoline Derivatives as Potential Antimicrobial Agents
Authors: Thakare Prashant P. , Shinde Abhijit D. , Chavan Abhijit P. , Nyayanit Narendra V. , Bobade Vivek D. , Mhaske Pravin C.
Published: April 2020

A new series of 4‐{1‐phenyl‐4‐[(4‐phenyl‐1,2,3‐triazol‐1‐yl)methyl]pyrazol‐3‐yl}quinoline (7a‐l) have been synthesized by a click reaction of 4‐(4‐(azidomethyl)‐1‐phenyl‐1H‐pyrazol‐3‐yl)quinoline (5a‐d) with a substituted ethynylbenzene. The newly synthesized 1,2,3‐triazolyl‐pyrazolyl‐quinoline derivatives were evaluated for biological activity against Escherichia coli (NCIM 2574), Proteus mirabilis (NCIM 2388), (Gram negative strains), Bacillus subtilis (NCIM 2063), Staphylococcus albus (NCIM 2178) (Gram positive strains) and in vitro antifungal activity against Candida albicans (NCIM 3100) and Aspergillus niger (ATCC 504). Five 1,2,3‐triazolyl‐pyrazolyl‐quinoline derivatives, 7d, 7 g, 7 h, 7k and 7 l exhibited good antifungal activity against A. niger with MIC 62.5 μg/mL. The compounds 7 h, 7k and 7 l were further evaluated for ergosterol inhibition assay against A. niger cell sample at 62.5 μg/mL concentration. Upon analysis of the sterol inhibition assay, it was revealed that, the ergosterol biosynthesis has decreased in the fungal samples treated with the 1,2,3‐triazolyl‐pyrazolyl‐quinoline derivatives. Thus antimicrobial activity suggested that, these compounds could aid and assist in the development of lead compounds to treat microbial infections.
2‐Chloroimidazolium Chloride as a Coupling Reagent for Amide Bond Formation
Authors: Han Jie , Sun Yingjie , Wang Zhifan , Huang Qingfei , Zhu Jin , Wang Yuanhua , Zhong Liu , Wang Qiwei
Published: April 2020

A highly efficient synthesis strategy, focusing on amide bond formation and peptide synthesis, has been developed under mild condition by employing a 2‐chloroimidazolium chloride IMesCl−Cl as a coupling reagent. This strategy exhibited wide substrate scope and good chemo‐selectivity. Notably, no significant loss of enantiopurity was observed when employing this strategy to dipeptide synthesis. This method was also successfully applied in glycine‐conjugate bile acids synthesis. A plausible formation mechanism via an active ester intermediate was proposed.
Surface Plasmon Resonance Nanosensors for Detecting Amoxicillin in Milk Samples with Amoxicillin Imprinted Poly(hydroxyethyl methacrylate‐N‐methacryloyl‐(L)‐ glutamic acid)
Authors: Faalnouri Sona , Çimen Duygu , Bereli Nilay , Denizli Adil
Published: April 2020

In this study, SPR based nanosensors were prepared for the detection of amoxicillin (AMOX) in milk samples with using molecular imprinting technique. This study developed to determine the amoxicillin (AMOX) from the commercial and local milk samples. For determination of amoxicillin, polymeric film and nanoparticles consisting of poly(hydroxyethyl methacrylate‐N‐methacryloyl‐(L)‐ glutamic acid) were synthesized onto the surface of the SPR chip by ultra violet polymerization. The characterization of the polymeric film and nanoparticles were determined by zeta sizer, ellipsometry, contact angle and atomic force microscopy measurements. The range of linearity was measured as 0.1‐200 ng/mL for amoxicillin (AMOX) imprinted polymeric film and nanoparticles based SPR nanosensors. The limit of detection for AMOX imprinted polymeric film and nanoparticles based SPR nanosensors were found as 0.0012 ng/mL and 0.0009 ng/mL, respectively. To show the selectivity of surface plasmon resonance nanosensors competitive adsorption of amoxicillin (AMOX), ampicillin (AMP), cephalexin (CEP) and cholesterol (KOL) were investigated. According to the results, AMOX imprinted SPR nanosensors have exhibited low‐detection limit, high sensitivity and selectivity for detection of antibiotic in milk samples.
Shape Shifting of Cup Shaped Particles on Growing poly (2‐hydroxy ethyl methacrylate) Brushes by “Grafting From” Approach and Dissipative Particle Dynamics Simulation
Authors: Ifra  , Singh Awaneesh , Saha Sampa
Published: April 2020

Controlled bending leading to shape shifted microparticles is indispensable for the targeted biomedical applications including advanced drug/cell delivery and has been one of the major research components in biomedical area for decades. Here, we report the shape‐shifting of cup‐shaped particles created by electrojetting from a blend of biodegradable polylactide (PLA) and biocompatible co‐polymer (poly[methylmethacrylate‐co‐2‐(2‐bromopropionyloxy)ethyl methacrylate] (poly(MMA‐co‐BEMA))) containing ATRP (Atom Transfer Radical Polymerization) initiating moiety, at a ratio of 75:25. Surface initiated ATRP of HEMA (2‐hydroxy ethyl methacrylate) was carried out for 1 hour to immobilize self‐crosslinkable poly(HEMA) brushes onto the cup shaped particles which underwent controlled bending post polymer brush growth leading to the formation of spherical ball with one small opening (hole). However, no change of shape was observed while growing non‐crosslinkable hydrophilic poly(DMAEMA) (poly(2‐(Dimethylamino)ethyl methacrylate)) brush from the surface of cup shaped particles. To understand the underlying phenomena of shape shifting, simulation studies were also performed. Dissipative particle dynamics (DPD) simulation of the ATRP process at the cup surface further confirmed that the use of HEMA monomer indeed led to the desired compact modified structure of the cup particle due to the crosslinking connectivity across the interface. We have also calculated the radial distribution function (RDF) and radius of gyration to study the structure of modified particles.
Selective Docking of Pyranooxazoles Against nsP2 of CHIKV Eluted Through Isothermally and Non‐Isothermally MD simulations
Authors: Kumar Durgesh , Singh Prashant , Jayaraj Abhilash , Kumar Vinod , Kumari Kamlesh , Chandra Ramesh , Ramappa Venkatesh Kumar
Published: April 2020

Selective docking is a novel concept for drug designing and currently used to find potential inhibitors against a non‐structural polyprotein (nsP2) of the chikungunya virus (CHIKV). Herein, authors designed a library of 200 molecules based on pyranooxazoles and used virtual screening, docking, isothermally and non‐isothermally MD simulations and free energy calculations to get potential candidates. The computational strategy is significant to find the promising inhibitor against this infection. Molecular docking approach is employed to find conformation of inhibitors in the active site of nsP2 of CHIKV. This approach is used to calculate the binding free energy for the drug‐target complex formation by involving various intermolecular interactions i. e. van der Waals, conventional hydrogen bonds, carbon hydrogen bonds etc. Based on binding energy, authors have taken top four candidates for further screening through SWISSADME and Molinspiration. All the four screened molecules obey “Lipinski's Rule of Five” and also gave satisfactory drug likeness values. Later, the top one molecule was taken and studied via isothermally and non‐isothermally MD simulations. MD simulations method was employed to determine change in free energy for the formation of complex between the CMPD167 and nsP2 of CHIKV. Results obtained suggest that CMPD167 is a potential inhibitor against nsP2 of CHIKV.
MgFe2O4‐Supported Ru Catalyst for Ammonia Synthesis: Promotive Effect of Chlorine
Authors: Javaid Rahat , Nanba Tetsuya
Published: April 2020

The effect of Ru precursor on the activity of Ru/MgFe2O4 catalyst was studied using different Ru compounds. It was found that the activities of the catalysts prepared from Cl containing precursors were much higher than those prepared from non‐Cl precursors. Mg thin film was formed on the surfaces of the catalysts synthesized from RuCl3 and Ru(NO3)3 precursors. This Mg thin film, along with residual Cl, was found essential to attain the highest activity for ammonia synthesis using Ru/MgFe2O4 catalyst.