bluuebunny/crossref_metadata_2025 huggingface dataset:
NEK5 promotes breast cancer cell proliferation through up‐regulation of Cyclin A2
Authors: Pei Jing , Zhang Jing , Yang Xiaowei , Wu Zhengsheng , Sun Chenyu , Wang Zhaorui , Wang Benzhong
Published: January 2019

NEK5, a contraction of NIMA Related Kinase 5, has been shown to regulate the centrosome integrity of cells though; it has been little described in cancer. Herein, to explore the clinicopathological meaning of NEK5 expression in breast cancer, immunohistochemistry was performed to detect the expression of NEK5 on tissue blocks, totaling 203 cases. Quantitative real‐time PCR (qRT‐PCR) was used to evaluate NEK5 mRNA expression with 30 cases of fresh tissues. To observe the function of NEK5 in the growth of breast cancer cells, both MTT and xenografted nude mice were performed. And Transwell assay was employed to observe the variation of migration and invasion. It was shown that up‐regulated NEK5 was significantly associated with tumor progression and poor overall prognosis; and that silencing of NEK5 can significantly suppress the proliferation both in vivo and in vitro, inhibiting migration, and invasion. To get insight into the underlying mechanism by which NEK5 operates in proliferation of breast cancer cells, we showed that NEK5 can up‐regulate Cyclin A2 and down‐regulate Cyclin D1, Cyclin D3, and Cyclin E1 expression. Additionally, Cyclin A2 was also identified as a novel interacting protein for NEK5. Taking together, we firstly defined the oncogenic role of NEK5 in breast cancer that was related to proliferation, supporting that NEK5 might be used a new therapeutic target in breast cancer.
Comparison between donor nerves to motorize the free functional gracilis muscle transfer for elbow flexion: Retrospective study of 38 consecutive cases in traumatic adult brachial plexus injuries
Authors: Cho Alvaro B. , Bersani Silva Gustavo , Pisani Marina J. , Alves Jairo A. , Iamaguchi Raquel B. , Wei Teng H. , de Rezende Marcelo R.
Published: January 2019

Purpose

Elbow flexion deficit is a frequent problem in traumatic brachial plexus injuries and reestablishment of this function is the primary treatment goal. When management is delayed, or the initial acute approach fails, free functional transfer of the gracilis muscle for elbow flexion is the treatment of choice. In this report, the authors present the results of a comparison study on different donor nerves (spinal accessory and ulnar) in elbow flexion reconstruction with gracilis flap for traumatic adult brachial plexus injuries.

Methods

Retrospective analysis of patients with both total or partial traumatic brachial plexus injuries was carried out. Of the 38 patients enrolled, 37 were male (97.4%) with a mean age of 28.3 years. The mean follow‐up period was 25 months. Postoperative function of the gracilis muscle flap was recorded and patients were divided into two groups according to donor nerve: spinal accessory nerve (SAN) (18 cases), and motor fascicles of the ulnar (ULNAR) (20 cases).

Results

Twenty‐six cases obtained elbow flexion strength M3 or M4 (68.4%): 0 M0 (0.0%), 4 M1 (10.5%), 8 M2 (21.1%), 9 M3 (23.7%) and 17 M4 (44.7%). The mean interval to first recorded M3 muscular strength was 12.4 months. Functional elbow flexion strength (≥ M3) had the following distribution: SAN 83.3% (15/18) and ULNAR 55.0% (11/20) (p = .086).

Conclusion

No statistical difference for final muscle strength was found between donor nerve groups.
Green Tea Polyphenols Modify the Gut Microbiome in db/db Mice as Co‐Abundance Groups Correlating with the Blood Glucose Lowering Effect
Authors: Chen Tingting , Liu Anna B. , Sun Shili , Ajami Nadim J. , Ross Matthew C. , Wang Hong , Zhang Le , Reuhl Kenneth , Kobayashi Koichi , Onishi Janet C. , Zhao Liping , Yang Chung S.
Published: January 2019

Scope

The effects of green tea polyphenols, Polyphenon E (PPE), and black tea polyphenols, theaflavins (TFs), on gut microbiota and development of diabetes in db/db mice are investigated and compared.

Methods and results

Supplementation of PPE (0.1%) in the diet of female db/db mice for 7 weeks decreases fasting blood glucose levels and mesenteric fat while increasing the serum level of insulin, possibly through protection against β‐cell damage. However, TFs are less or not effective. Microbiome analysis through 16S rRNA gene sequencing shows that PPE and TFs treatments significantly alter the bacterial community structure in the cecum and colon, but not in the ileum. The key bacterial phylotypes responding to the treatments are then clustered into 11 co‐abundance groups (CAGs). CAGs 6 and 7, significantly increased by PPE but not by TFs, are negatively associated with blood glucose levels. The operational taxonomic units in these CAGs are from two different phyla, Firmicutes and Bacteroidetes. CAG 10, decreased by PPE and TFs, is positively associated with blood glucose levels.

Conclusion

Gut microbiota respond to tea polyphenol treatments as CAGs instead of taxa. Some of the CAGs associated with the blood glucose lowering effect are enriched by PPE, but not TFs.
A novel design of a planar antenna with modified patch and defective ground plane for ultra‐wideband applications
Authors: Baudha Sudeep , Yadav Manish V.
Published: January 2019

In this article, a novel design of a planar antenna with modified patch and defective ground plane for UWB applications is presented. The optimum dimension of the antenna is 20 × 25 × 1.5 mm3 and it is fabricated on commercially available low‐cost FR‐4 substrate having relative permittivity (εr = 4.3) and relative permeability (μr = 1) with a loss tangent of 0.025. The impedance bandwidth of the proposed antenna (magnitude of S11 [S11 < −10 dB]) is 110% (3.1‐10.8 GHz). The peak gain and the peak radiation efficiency of the proposed antenna is 5.1 dB and 89%, respectively, in the proposed band of operation. Simulated and measured results of the proposed antenna are in good agreement. The proposed antenna is suitable for ultra‐wideband applications, 3.5/5.5 GHz WiMAX band, 5.2/5.8 GHz WLAN band, 4/6 GHz satellite communication, and various other wireless communication applications.
Highly accelerated, model‐free diffusion tensor MRI reconstruction using neural networks
Authors: Aliotta Eric , Nourzadeh Hamidreza , Sanders Jason , Muller Donald , Ennis Daniel B.
Published: January 2019

Purpose

The purpose of this study was to develop a neural network that accurately performs diffusion tensor imaging (DTI) reconstruction from highly accelerated scans.

Materials and Methods

This retrospective study was conducted using data acquired between 2013 and 2018 and was approved by the local institutional review board. DTI acquired in healthy volunteers (N = 10) was used to train a neural network, DiffNet, to reconstruct fractional anisotropy (FA) and mean diffusivity (MD) maps from small subsets of acquired DTI data with between 3 and 20 diffusion‐encoding directions. FA and MD maps were then reconstructed in volunteers and in patients with glioblastoma multiforme (GBM, N = 12) using both DiffNet and conventional reconstructions. Accuracy and precision were quantified in volunteer scans and compared between reconstructions. The accuracy of tumor delineation was compared between reconstructed patient data by evaluating agreement between DTI‐derived tumor volumes and volumes defined by contrast‐enhanced T1‐weighted MRI. Comparisons were performed using areas under the receiver operating characteristic curves (AUC).

Results

DiffNet FA reconstructions were more accurate and precise compared with conventional reconstructions for all acceleration factors. DiffNet permitted reconstruction with only three diffusion‐encoding directions with significantly lower bias than the conventional method using six directions (0.01 ± 0.01 vs 0.06 ± 0.01, P < 0.001). While MD‐based tumor delineation was not substantially different with DiffNet (AUC range: 0.888–0.902), DiffNet FA had higher AUC than conventional reconstructions for fixed scan time and achieved similar performance with shorter scans (conventional, six directions: AUC = 0.926, DiffNet, three directions: AUC = 0.920).

Conclusion

DiffNet improved DTI reconstruction accuracy, precision, and tumor delineation performance in GBM while permitting reconstruction from only three diffusion‐encoding directions.&!#6;
Regularized inversion of the Laplace transform for series of experiments
Authors: Radel Benjamin , Hardy Edme H. , Djuric Zorana , Mahlbacher Markus , Haist Michael , Müller Harald S.
Published: January 2019

Not only in low‐field nuclear magnetic resonance, Laplace inversion is a relevant and challenging topic. Considerable conceptual and technical progress has been made, especially for the inversion of data encoding two decay dimensions. Distortion of spectra by overfitting of even moderate noise is counteracted requiring a priori smooth spectra. In this contribution, we treat the case of simple and fast one‐dimensional decay experiments that are repeated many times in a series in order to study the evolution of a sample or process. Incorporating the a priori knowledge that also in the series dimension evolution should be smooth, peak position can be stabilized and resolution improved in the decay dimension. It is explained how the standard one‐dimensional regularized Laplace inversion can be extended quite simply in order to include regularization in the series dimension. Obvious improvements compared with series of one‐dimensional inversions are presented for simulated as well as experimental data. For the latter, comparison with multiexponential fitting is performed.
Quantitative evaluation of hand motor function using a gyrosensor in mild and moderate carpal tunnel syndrome
Authors: Seok Hung Youl , Kim Ji‐Won , Kim Yool‐Hee , Park Moon‐Ho , Kwon Do‐Young
Published: January 2019

Introduction

The objective of this study was to determine whether patients with carpal tunnel syndrome (CTS) manifest changes in early‐stage motor function and to investigate the utility of a gyrosensor for quantitative evaluation of motor function.

Methods

Angular velocity signal was measured during finger tapping in 52 patients with mild‐to‐moderate CTS and 45 controls. Four finger‐tapping performance (FTP) values—root‐mean‐squared (RMS) velocity, RMS angle, peak power, and total power—were derived from the signal.

Results

All FTP values were significantly lower in patients with CTS than in controls (P = 0.001 or P < 0.001). There were no significant differences between the mild and moderate CTS subgroups.

Discussion

FTP measurement with a gyrosensor represents a valuable tool for the evaluation of median nerve motor function in patients with CTS. It facilitates the detection of subclinical motor dysfunction in patients with early stage CTS. Muscle Nerve 59:465–469, 2019
Leukemia in Ancient Egypt: Earliest case and state‐of‐the‐art techniques for diagnosing generalized osteolytic lesions
Authors: Isidro Albert , Seiler Roger , Seco Myriam
Published: January 2019

Malignant bone tumors are uncommon among archaeological skeletal remains, and the general skeletal involvement is even less frequent. Multiple myelomas along with metastases are the most common conditions in paleopathology, whereas malignant myeloproliferative diseases have only been described in a handful of cases.

We present a probable case of acute lymphocytic leukemia in a skeleton of an individual from Ancient Egypt, dated to the end of the First Intermediate Period and the beginning of the Middle Kingdom (c 2160–2000 bc). The excavation of the Temple of Millions of Years of Thutmosis III located in el‐Assasif (Luxor, Upper Egypt) recovered a total of 41 complete individual from an associated grave‐Necropolis placed close to the north enclosure wall. The individual, a 16 to 21‐year‐old male, showed a severe disease affecting all the skeleton with, predominantly, osteolytic lesions and areas of new bone formation. Gross examination under magnification and X‐ray in field were performed.

We review the paleopathological literature to compare the cases previously reported of malignant disease. The morphology and distribution of the lesions of the individual are discussed to make an adequate differential diagnosis in the individual. Several criteria suggest that the disease was most likely acute lymphocytic leukemia: The individual died before the age of 21, the patterns of the bone lesions as well as its distribution below the elbow and knee joints, the presence of a gap in the coronal suture, and the mandible involvement.

If this is the case, it would be the oldest case of leukemia described in Ancient Egypt and could help to understand the evolution patterns of cancer in the history.
Bone tools of Late Holocene hunter‐gatherer‐fishers of North‐Central Chile: Case study of the Punta Teatinos assemblage
Authors: Bravo Gabriela , Troncoso Andrés , Santander Boris
Published: January 2019

During the Late Holocene, important changes can be identified in the social dynamics of hunter‐gatherer populations in different regions of the Southern Andes. These transformations are associated with processes of demographic growth, territoriality, increased social complexity, technological innovations, and intensified exploitation of the environment. One of the technological transformations associated with these processes is the popularization of bone instruments. In this study, we discuss the functions of bone tools made by Late Holocene coastal hunters‐gatherers of North‐Central Chile, by carrying out a morphological characterization and identifying use‐wear patterns on their surfaces. Our results show that bone technology was used for hunting, fishing, and gathering activities, from flint working to processing vegetal fibres and hide. A reduce number of artefacts had an ornamental use as well. These results suggest a varied and intensive exploitation of the surrounding space by coastal groups, where bones of land animals constituted an important part of the raw materials used in bone industry. Also, we argue that some bone artefacts were elements structuring social relations, as they participated in flows of information and social networks. We conclude by arguing that the popularization of bone industry reflects the dynamics of social complexity, as well as how bone was integrated as a productive, economic, and social resource in the process of coastal hunters and gatherers who inhabited the area.
Oxo‐Hydroxoferrate K2−xFe4O7−x(OH)x: Hydroflux Synthesis, Chemical and Thermal Instability, Crystal and Magnetic Structures
Authors: Albrecht Ralf , Hunger Jens , Block Theresa , Pöttgen Rainer , Senyshyn Anatoliy , Doert Thomas , Ruck Michael
Published: January 2019

The reaction of Fe(NO3)3⋅9 H2O with KOH under hydroflux conditions at about 200 °C produces red crystals of K2−xFe4O7−x(OH)x in a quantitative yield. In the crystal structure, edge‐sharing [FeO6] octahedra form
Fe2O6] honeycomb nets. Pillars consisting of pairs of vertex‐sharing [FeO4] tetrahedra link the honeycomb layers and form columnar halls in which the potassium ions are located. The trigonal (P
1m) and the hexagonal (P63/mcm) polytypes of K2−xFe4O7−x(OH)x show oriented intergrowth. The sub‐stoichiometric potassium content (x≈0.3) is compensated by hydroxide ions. K2−xFe4O7−x(OH)x is an antiferromagnet above 2 K and its magnetic structure was determined by neutron powder diffraction. Under ambient conditions, K2−xFe4O7−x(OH)x hydrolyzes and K2CO3 ⋅ H2O forms gradually on the surface of the K2−xFe4O7−x(OH)x crystals. Upon annealing at air at about 500 °C, the potassium atoms in the columnar halls start to order into a superstructure. The thermal decomposition of K2−xFe4O7−x(OH)x proceeds via a topotactic transformation into K1+x′Fe11O17, adopting the rhombohedral β’’ or the hexagonal β‐aluminate‐type structure, before γ‐Fe2O3 is formed above 950 °C, which then converts into thermodynamically stable α‐Fe2O3.
Exercise training alters lipoprotein particles independent of brown adipose tissue metabolic activity
Authors: Motiani P. , Teuho J. , Saari T. , Virtanen K. A. , Honkala S. M. , Middelbeek R. J. , Goodyear L. J. , Eskola O. , Andersson J. , Löyttyniemi E. , Hannukainen J. C. , Nuutila P.
Published: January 2019

Introduction

New strategies for weight loss and weight maintenance in humans are needed. Human brown adipose tissue (BAT) can stimulate energy expenditure and may be a potential therapeutic target for obesity and type 2 diabetes. However, whether exercise training is an efficient stimulus to activate and recruit BAT remains to be explored. This study aimed to evaluate whether regular exercise training affects cold‐stimulated BAT metabolism and, if so, whether this was associated with changes in plasma metabolites.

Methods

Healthy sedentary men (n = 11; aged 31 [SD 7] years; body mass index 23 [0.9] kg m−2; VO2 max 39 [7.6] mL min−1 kg−1) participated in a 6‐week exercise training intervention. Fasting BAT and neck muscle glucose uptake (GU) were measured using quantitative [18F]fluorodeoxyglucose positron emission tomography–magnetic resonance imaging three times: (1) before training at room temperature and (2) before and (3) after the training period during cold stimulation. Cervico‐thoracic BAT mass was measured using MRI signal fat fraction maps. Plasma metabolites were analysed using nuclear magnetic resonance spectroscopy.

Results

Cold exposure increased supraclavicular BAT GU by threefold (p < 0.001), energy expenditure by 59% (p < 0.001) and plasma fatty acids (p < 0.01). Exercise training had no effect on cold‐induced GU in BAT or neck muscles. Training increased aerobic capacity (p = 0.01) and decreased visceral fat (p = 0.02) and cervico‐thoracic BAT mass (p = 0.003). Additionally, training decreased very low‐density lipoprotein particle size (p = 0.04), triglycerides within chylomicrons (p = 0.04) and small high‐density lipoprotein (p = 0.04).

Conclusions

Although exercise training plays an important role for metabolic health, its beneficial effects on whole body metabolism through physiological adaptations seem to be independent of BAT activation in young, sedentary men.
ABS/Nonexpandable muscovite clay nanocomposites: The effect of ion exchange on dispersion of nanofillers and flexural properties
Authors: Ismail Nor Hafizah Che , Akil Hazizan Md.
Published: January 2019

In this work, acrylonitrile‐butadiene‐styrene (ABS)‐based nanocomposites with different muscovite concentrations (1–5 wt%) treated by ion exchange process were prepared by melt compounding. The influence of ion exchange and muscovite amount on the morphological, structural, and flexural properties was examined using wide‐angle X‐ray diffraction (WAXD), transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), Fourier transform infrared (FTIR), and three‐point bending test. The modified muscovite significantly enhanced basal spacing and CTA+ molecules successfully intercalated into the gallery of muscovite. The morphology indicated that organomuscovite (OM) dispersed well in ABS resin and the intercalated‐exfoliated structures of ABS nanocomposites were, respectively, formed. Conversely, contact angle measurements revealed that increasing OM loading would increase the hydrophobicity of ABS nanocomposites. The flexural properties showed that the flexural strength and modulus were improved by 10% and 28%, respectively, in comparison to neat ABS. POLYM. COMPOS., 40:3562–3572, 2019. © 2019 Society of Plastics Engineers
Are all chromosome microarrays the same? What clinicians need to know
Authors: Levy Brynn , Burnside Rachel D.
Published: January 2019

Microarray testing is the recommended first‐tier diagnostic test for women who undergo invasive prenatal diagnostic procedures. It is well‐established that microarray analysis provides information regarding copy number for changes (or copy number variants, CNVs) that may be below the resolution level of standard chromosome analysis, and that such CNVs are not related to maternal age. What may not be appreciated by ordering providers, however, are the technical differences among laboratories with respect to the established laboratory cutoff values for reporting, the definition of targeted versus nontargeted regions, and how these differences may affect the interpretation and reporting of findings which, in turn, affects counseling and possible follow‐up testing of family members. Here, we provide a detailed explanation of these technical factors and clarify how they practically impact diagnostic results.
Properties of compression molded ultra‐high molecular weight polyethylene products pretreated by eccentric rotor extrusion
Authors: Feng Yanhong , Gao Yu , Chen Jiejie , Jiang Jinhui , Yin Xiaochun , He Guangjian , Zeng Yanxiang , Kuang Qinglin , Qu Jinping
Published: January 2019

Low processing efficiency and fusion defects limit the application of ultra‐high molecular weight polyethylene (UHMWPE) in artificial joint implants. These problems result from the high melt viscosity of UHMWPE. Here, we use an eccentric rotor extruder (ERE) based on elongational flow to pretreat UHMWPE. Compression molded UHMWPE is obtained without and with ERE pretreatment (EP‐UHMWPE). The processing efficiency of EP‐UHMWPE is improved compared with direct compression molded UHMWPE. This is because the preheating time can be omitted during the molding process, and the residence time of UHMWPE in the extruder is less than 90 s. The mechanical properties and friction resistance of EP‐UHMWPE are significantly improved compared with those of direct compression molded UHMWPE. The yield strength increases from 21 MPa to 23 MPa, the tensile strength increases from 36 MPa to 46 MPa, the elongation at break increases from 610% to 700%, and the abrasion loss decreases from 1.73 mg/1000 r to 0.93 mg/1000 r when UHMWPE is subjected to ERE pretreatment. We attribute these improvements to the elongational flow enhancing the orientation and disentanglement of UHMWPE molecular chains, which in turn improves particle fusion. The molecular weight is well maintained when subjected to ERE pretreatment. UHMWPE components pretreated by ERE have good prospects in artificial joint implants. © 2019 Society of Chemical Industry
Surfactant protein D as a marker for pulmonary complications in pediatric patients with sickle cell disease: Relation to lung function tests
Authors: Tantawy Azza A. , Adly Amira A. , Ebeid Fatma S. E. , Ismail Eman A. , Hussein Mahitab M. , Shaarawy Randa M. , Kamel Reham A.
Published: January 2019

Background

Surfactant protein D (SP‐D) is considered a candidate biomarker for lung integrity and for disease progression.

Aim

We determined the level of SP‐D in children and adolescents with SCD and assessed its possible relation to pulmonary complications and lung function.

Methods

Serum SP‐D levels were assessed in 50 SCD patients compared with 30 healthy controls. High‐resolution computerized tomography (HRCT) of the chest was done. Forced vital capacity (FVC), forced expiratory volume in 1 s (FEV1), FEV1/FVC% and forced expiratory flow rate during 25‐75% of expiration (FEF25‐75%) were determined.

Results

SP‐D was significantly higher in SCD patients than controls, particularly patients with sickle cell anemia than those with sickle β‐thalassemia. SP‐D levels were significantly associated with increasing severity of interstitial lung disease. The highest SP‐D levels were observed among patients with restrictive lung disease followed by mixed type then obstructive lung disease. SP‐D was positively correlated to HbS and serum ferritin while negatively correlated to duration of hydroxyurea treatment and parameters of pulmonary functions. ROC curve analysis revealed that SP‐D cutoff value 720 ng/mL could significantly detect the presence of abnormal pulmonary function among SCD patients with 82% sensitivity and 88% specificity. Logistic regression analysis showed that SP‐D is an independent factor related to abnormal pulmonary function in SCD.

Conclusions

SP‐D may be a promising biomarker for screening of SCD patients for risk of later pulmonary complications.
Barium Titanate: A Novel Perovskite Oxide Burning Rate Modifier for HTPB/AP/Al Based Composite Propellant Formulations
Authors: Jain Sunil , Khire Vrushali H. , Kandasubramanian Balasubramanian
Published: January 2019

In the present study, nano and micron‐sized barium titanate (BaTiO3) were characterized and evaluated in HTPB/AP/Al composite propellant. Different compositions were prepared by incorporating BaTiO3 from 0.5 % to 2 % in a standard composition. The BaTiO3 reduces thermal decomposition temperature of ammonium perchlorate and also of standard composition. Other propellant processing and performance parameters like viscosity, mechanical and ballistic properties were also measured. The ballistic properties results revealed that there was more than 22 % and 12 % (at 6.86 MPa) enhancement in burning rate with 2 % nano and micro‐ BaTiO3, respectively.
Crystal structure of the LUFS domain of human single‐stranded DNA binding Protein 2 (SSBP2)
Authors: Wang Hongyang , Wang Zhizhi , Tang Qun , Yan Xiao‐Xue , Xu Wenqing
Published: January 2019

The human single‐stranded DNA binding Protein 2 (SSBP2) is a tumor suppressor implicated in multiple cancer forms. The SSBP2 and related SSBP3/SSBP4 proteins are predicted to be intrinsically disordered excepted for their highly conserved N‐terminal LUFS (LUG/LUH, Flo8, and SSBP/SSDP) domain. LUFS domains are found in a number of proteins including some transcriptional co‐repressors. Although LUFS domains contain an N‐terminal Lis homology (LisH) motif that typically forms a stable dimer, no 3D structure of any LUFS domain is available. Here, we report a crystal structure of the LUFS domain of human SSBP2 at 1.52 Å resolution. We show that the SSBP2 LUFS domain forms a homo‐tetramer and reveal how an alpha‐helix C‐terminal to the LisH motif mediates SSBP2 tetramerization (dimerization of dimers). Conservation of the tetramerization interface among LUFS domains suggests that other LUFS domains may also form tetramers in similar manners.
Frequency and predictors of the potential overprescribing of antidepressants in elderly residents of a geographically defined U.S. population
Authors: Bobo William V. , Grossardt Brandon R. , Lapid Maria I. , Leung Jonathan G. , Stoppel Cynthia , Takahashi Paul Y. , Hoel Robert W. , Chang Zheng , Lachner Christian , Chauhan Mohit , Flowers Lee , Brue Scott M. , Frye Mark A. , St. Sauver Jennifer , Rocca Walter A. , Sutor Bruce
Published: January 2019

The purpose of this study was to estimate the extent of potential antidepressant overprescribing in a geographically defined U.S. population, and to determine the indications and factors that account for it. We conducted a cohort study of new antidepressant prescriptions for elderly residents of Olmsted County, Minnesota, 2005‐2012, using the Rochester Epidemiology Project medical records‐linkage system. Indications for antidepressants were abstracted from health records for all cohort members. Potential antidepressant overprescribing was defined based on regulatory approval, the level of evidence identified from a standardized drug information database, and multidisciplinary expert review. Predictors of potential antidepressant overprescribing were investigated using logistic regression models, stratified by general antidepressant indication (general medical indication, specific psychiatric diagnosis, and non‐specific psychiatric symptoms). Potential antidepressant overprescribing occurred in 24% of 3199 incident antidepressant prescriptions during the study period, and involved primarily newer antidepressants that were prescribed for non‐specific psychiatric symptoms and subthreshold diagnoses. Potential antidepressant overprescribing was associated with nursing home residence, having a higher number of comorbid medical conditions and outpatient prescribers, taking more concomitant medications, having greater use of urgent or acute care services in the year preceding the index antidepressant prescription, and being prescribed antidepressants via telephone, e‐mail, or patient portal. In conclusion, potential antidepressant overprescribing occurred in elderly persons and involved mainly newer antidepressants used for non‐specific psychiatric symptoms and subthreshold diagnoses, and was associated with indicators of higher clinical complexity or severity and with prescribing without face‐to‐face patient contact.
Natural products: a strategic lead generation approach in crop protection discovery
Authors: Lorsbach Beth A , Sparks Thomas C , Cicchillo Robert M , Garizi Negar V , Hahn Donald R , Meyer Kevin G
Published: January 2019

With the anticipated population growth in the coming decades, the changing regulatory environment, and the continued emergence of resistance to commercial pesticides, there is a constant need to discover new lead chemistries with novel modes of action. We have established a portfolio of approaches to accelerate lead generation. One of these approaches capitalizes on the rich bioactivity of natural products (NPs), highlighted by the numerous examples of NP‐based crop protection compounds. Within Corteva Agriscience and the affiliated preceding companies, NPs have been a fruitful approach, for nearly three decades, to identifying and bringing to the market crop protection products inspired by or originating from NPs, . Included in these NP‐based crop protection products are the spinosyns family of insecticides, and those from more recent areas of NP‐based fungicidal chemistry, as highlighted in this perspective. © 2019 Society of Chemical Industry
Janus kinase inhibitors for inflammatory bowel disease
Authors: Chaplin Steve
Published: January 2019

NICE recently recommended the janus kinase (JAK) inhibitor tofacitinib (Xeljanz) for second‐line treatment of moderately to severely active ulcerative colitis. This article summarises the efficacy for tofacitinib in inflammatory bowel disease (ulcerative colitis and Crohn's disease), and discusses a new JAK inhibitor, filgotinib, that has shown promise in Crohn's disease.
The importance of an accurate medication profile
Authors: Thompson Angus
Published: January 2019

An accurate medication profile is one essential component for reducing the risk of a patient experiencing medicines misadventure, but these profiles are frequently inaccurate and unreliable, says Angus Thompson.
Synthesis and Characterization of a Regioregular Side‐Chain Semifluorinated Polythiophene
Authors: Horn Christoph , Pospiech Doris , Zessin Johanna , Stein Sebastian , Jehnichen Dieter , Komber Hartmut , Göbel Michael , Voit Brigitte , Kiriy Anton
Published: January 2019

The synthesis of a new side‐chain semifluorinated thiophene monomer obtained by the reaction of 3‐thiophene ethanol with 4,4,5,5,6,6,7,7,8,8,9,9,9‐tridecafluorononan‐1‐ol is reported. The side‐chain semifluorinated monomer is polymerized using Kumada catalyst‐transfer polycondensation to obtain the regioregular side‐chain semifluorinated thiophene polymer P3sfT with a sufficiently high molar mass of about 26 000 g mol−1 and narrow dispersity Đ of 1.11. The bulk structure is analyzed by X‐ray scattering and shows π–π stacking as well as the strong formation of layer structures caused by the self‐organization of the semifluorinated side chains. The structure is even more pronounced than in P3HT which is due to the extension of the side chains by fluorinated methylene groups. Thin films are prepared from solution in octafluorotoluene and examined for their layer structure using XRR and 2D‐GIWAXS. The same structure as in solid state is found, again indicating high self‐organization of the semifluorinated side chains. Due to the high self‐assembly, the polymer shows potential as semiconductor in organic electronics. Measurements of electronic properties are currently in progress.
Understanding the Influence of Initial Cluster Size Distribution On Crystallization Dynamics in The Ge2Sb2Te5 Phase‐Change Alloy
Authors: Aladool Azzam , Aziz Mustafa , Wright David
Published: January 2019

Phase‐change materials are recognized as major contenders to develop fast, low power, and small non‐volatile memories and data processors. Crystallization remains the limiting factor in deciding the operating speeds of phase‐change devices. It has been shown experimentally that pre‐annealing amorphous phase‐change materials leads to shorter crystallization times. This was attributed to the formation of crystalline nano‐clusters embedded in the amorphous phase that reduce the incubation time and enhance crystallization speeds, which was recently confirmed using enhanced transmission microscopy. The correlation between the initial size distribution of nano‐clusters on the crystallization dynamics is still however unclear which is crucial for increasing the speed of crystallization. This theoretical investigation simulates initial cluster size distributions following pre‐annealing and melt‐quenching in as‐deposited amorphous Ge2Sb2Te5 phase‐change materials using the physically realistic Master rate equation approach, and their influence on the crystallization dynamics. This approach is also extended to systematically study assumed Gaussian initial cluster densities in the sub‐nanometer to few tens of nanometers size range on the crystallization dynamics at different annealing rates. The simulations revealed enhancement of crystallization speeds with narrow initial distributions of small cluster sizes of few nanometers (for the same initial crystalline fraction) in agreement with enhanced microscopy observations.
Mucoadhesive formulation containing Curcuma longa L. reduces oral mucositis induced by 5‐fluorouracil in hamsters
Authors: Schmidt Tuany Rafaeli , Curra Marina , Wagner Vivian Petersen , Martins Marco Antonio Trevizani , de Oliveira Aline Carlos , Batista Aline Carvalho , Valadares Marize Campos , Marreto Ricardo Neves , Martins Manoela Domingues
Published: January 2019

We explored the effects of a mucoadhesive formulation containing curcuminoid (MFC) from Curcuma longa L. extract on oral mucositis (OM) induced by 5‐fluorouracil (5‐FU) in hamsters. Seventy‐two golden Syrian hamsters were randomly allocated into four groups: control, placebo, chamomilla, and MFC. Animals received an intraperitoneal injection of 5‐FU at Days 0 and 2. On Days 3 and 4, the buccal mucosa was scratched. Therapy was initiated on Day 5. Animals received two applications of the substances per day according to the experimental group. Six animals were euthanized on Days 8, 10, and 14. Clinical analysis were performed using photography and histopathological sections of 3 μm were stained by hematoxylin–eosin for semiquantitative analysis of re‐epithelization and inflammation. Immunohistochemistry was used for angiogenesis (CD31) and transforming growth factor beta 1 (TGF‐β1) analysis. On Day 5, all groups exhibited OM. Clinical and histopathological findings revealed that on Day 8, both MFC and chamomilla groups exhibited better wound healing. In addition, the MFC group demonstrated lower angiogenesis and TGF‐β1 levels on Day 8 compared with placebo and control groups. Collectively, these findings suggest that MFC has a therapeutic effect on OM, accelerating wound healing through re‐epithelization and anti‐inflammatory action as modulation of angiogenesis and TGF‐β1 expression.
DFT study on electronic properties of single‐ and double‐shell icosahedral fullerenes
Authors: De Luca Giorgio , Basantes Valverde Marlon , Morrone Matilde , Caputi Lorenzo S.
Published: January 2019

Multi‐shell fullerenes are widely studied for their interesting properties although comparative studies on single‐ and multi‐shell structures remain scarce. In this work, important electronic features of single‐ and double‐shell icosahedral fullerenes as a function of their sizes were calculated in the framework of the density functional theory. Fully optimized structures were used to get the gap between the highest occupied molecular and the lowest unoccupied molecular orbital (H‐L gap), electronegativity, softness and density of the electronic states. This work shows that the H‐L gap of the single‐shell fullerenes decreases nonlinearly as the nanoparticles size increases, whereas for the double‐shell fullerenes an opposite trend is obtained. A decrease of the H‐L gap is found going from single‐ to double‐shell fullerenes with similar external sizes, up to a diameter of 3.13 nm. The electron density of states revealed that isolated peaks give way to more dense electronic states for nanoparticles with diameters above 2 nm.
Assessment of a composite method based on selected density functional theory methods and complete basis set extrapolation formulas
Authors: Chinini Guilherme Luiz , Custodio Rogério
Published: January 2019

Extrapolation formulas based on power and exponential formulas, as well as alternatives from a Taylor series, were tested and used with density functional theory (DFT) for the calculation of enthalpies of formation. The following four functionals were analyzed: B3LYP, BMK, M06‐2X, and B2PLYP. Preliminary tests pointed to B2PLYP and B3LYP as the best and worst functionals, respectively. Taylor series expressions were as accurate as the power formulas and presented better performance than the exponential equation. The power formula (Equation (2)) and one of the simplest Taylor expressions (Equation (13)) were selected for the calculations with B3LYP and B2PLYP, with further empirical adjustments based on the higher level correction (HLC) and scaling of the experimental atomization energies used to calculate enthalpies of formation. HLC improved the B3LYP mean absolute error (MAE) from approximately 4.3 to 3.5 kcal mol−1 using both extrapolation alternatives. For B2PLY, the MAEs were improved from 2.7 to 2.6 kcal mol−1. Regarding the G3/05 test set, a significant improvement in the MAEs around 2.5 and 1.5 kcal mol−1 were achieved using B3LYP and B2PLYP, respectively. The accuracy obtained from these empirical corrections was equivalent to other composite methods. The MAEs from B3LYP and B2PLYP may be suggested as ranges for the possible accuracy to be achieved by some DFT methods. The empirical corrections suggested in this work are improvements that may be considered to provide acceptable accuracy for enthalpies of formation and possibly other properties.
The role of fluoroalcohols as counter anions for ion‐pairing reversed‐phase liquid chromatography/high‐resolution electrospray ionization mass spectrometry analysis of oligonucleotides
Authors: Liu Rong , Ruan Yanjiao , Liu Zhongqiu , Gong Lingzhi
Published: January 2019

Rationale

Hexafluoroisopropanol (HFIP) has been widely used as a counter anion in the mobile phase for ion‐pairing reversed‐phase liquid chromatography/mass spectrometry (IP‐RP‐LC/MS) analysis of oligonucleotides. However, researchers are still searching for improvements to counter anions for LC/MS analysis of oligonucleotides. This study aimed to find alternatives to HFIP for analyzing oligonucleotides.

Methods

The study was performed using an Agilent 1290 ultra‐high‐performance liquid chromatography (UHPLC) system coupled to an Agilent 6540 mass spectrometer by using an oligonucleotide BEH C18 column (100 × 2.1 mm, 1.7 μm). Buffer systems containing ion‐pairing reagents (triethylamine, tripropylamine, hexylamine, dimethylbutylamine, diisopropylethylamine, N,N‐dimethylcyclohexylamine, and octylamine) and fluoroalcohols (HFIP and hexafluoro‐2‐methyl‐2‐propanol (HFTP)) were compared chromatographically and mass spectrometrically.

Results

Results showed that HFTP has better desalting ability than HFIP, but both HFIP and HFTP have comparable effects on the separation of oligonucleotides sized from 10mer to 40mer for most of ion‐pairing reagents, with the exception of triethylamine and N,N‐dimethylcyclohexylamine, where HFIP performed better than HFTP.

Conclusions

The choice of fluoroalcohols in IP‐RP‐LC/MS analysis of oligonucleotides depends on the type of ion‐pairing reagents used in the mobile phase. As a guideline, we would recommend to use either HA‐HFIP or HA‐HFTP for small oligonucleotides, but TPA‐HFTP for large oligonucleotides for IP‐RP‐LC/MS analysis of synthetic oligonucleotides.
Re‐randomization tests in clinical trials
Authors: Proschan Michael A. , Dodd Lori E.
Published: January 2019

As randomization methods use more information in more complex ways to assign patients to treatments, analysis of the resulting data becomes challenging. The treatment assignment vector and outcome vector become correlated whenever randomization probabilities depend on data correlated with outcomes. One straightforward analysis method is a re‐randomization test that fixes outcome data and creates a reference distribution for the test statistic by repeatedly re‐randomizing according to the same randomization method used in the trial. This article reviews re‐randomization tests, especially in nonstandard settings like covariate‐adaptive and response‐adaptive randomization. We show that re‐randomization tests provide valid inference in a wide range of settings. Nonetheless, there are simple examples demonstrating limitations.
Evaluating the Role of Ultrasonication‐Assisted Alkali Pretreatment and Enzymatic Hydrolysis on Cellwall Polysaccharides of Pennisetum Grass Varieties as Potential Biofuel Feedstock
Authors: Mohapatra Sonali , Mishra Chinmaya , Merritt Brian B , Pattathil Sivakumar , Thatoi Hrudayanath
Published: January 2019

Production of renewable fuel like bioethanol from plant biomass and agro wastes will be the future energy source to combat the depletion of fossil fuels. The first detailed profile of the non‐cellulosic cell wall polysaccharides of native, ultrasonication assisted alkaline (NaOH) pre‐treated and enzyme hydrolysed Pennesitum grass varieties viz. hybrid Napier grass and denanath grass, were identified using glycome profiling. The best pre‐treatment conditions resulted in 89.3% and 86.7% delignification of denanath grass (DG) and hybrid Napier grass (HNG) respectively. In the same conditions, 227.2 mg/g and 242.8 mg/g of total reducing sugar was achieved for DG and HNG respectively. Comparative assessment of a new enzyme i. e. Palkonal MBW with the conventional combination of Celluclast 1.5 L+ xylanase was undertaken. The amounts of glucose and xylose released with Palkonal MBW saccharified DG and HNG were 662.0 mg/g and 431.2 mg/g, which were significantly higher as compared to the conventional enzyme cocktail. The glycome profiling results showed that pectic arabinoxylan and arabinogalactan backbones were significantly less in DG samples and they do play a major role in enhancing enzymatic hydrolysis. These reports can provide a good insight in designing potential perennial feedstocks for bioethanol production in bio refinery concepts. Furthermore, the underutilised DG variety may also be exploited owing to its promising cell wall characteristics that can produce higher bioethanol yields.
Pt‐V2O5/NT and Pt‐WO3/NT Titanate Nanotubes with Strong Photocatalytic Activity under Visible Light
Authors: Camposeco Roberto , Castillo Salvador , Hinojosa‐Reyes Mariana , Rodriguez‐Gonzalez Vicente , Nava Noel , Mejía‐Centeno Isidro
Published: January 2019

Photocatalytic degradation of Rhodamine B was carried out by decorated V2O5/NT and WO3/NT titanate nanotubes with Pt (0.3 wt. %) under visible light irradiation. The effect of parameters such as titanic acid phase, surface area and photocatalyst load on the deactivation of the photocatalytic degradation of Rhodamine B were studied. Photoatalysts were characterized by SBET, XRD, UV‐vis, XPS, HR‐TEM, and H2‐TPR. We found that Pt‐WO3/NT photocatalyst reached 90% of dye degradation in 60 min. WO3/NT reached 60% after 90 min under 450‐nm visible light irradiation and pH neutral. The incorporation Pt nanoparticles into WO3/NT and V2O5/NT supports increased remarkably the photocatalytic activity during degradation of Rhodamine B. After reaction, an evolution from VO2 to V2O5 was observed. We also found the transition from W5+ to W6+. The transition from Pt0 to Pt2+ was also observed. We concluded that the presence of Pt hinders the oxidation of the oxygen species on the surface of the titanate nanotubes.
Evaluation of Corrosion Inhibition Performance of Two Novel Multifunctional Silane Containing Phosphonyl Groups Synthesized by Convenient Mannich Reaction
Authors: Yang Jinyun , Wang Dongdong , Qiao Ruijing , Sun Anbang , Feng Shengyu , Ma Houyi , Lu Haifeng
Published: January 2019

Two novel iron corrosion inhibitors were prepared via convenient Mannich reaction which named N,N’‐dimethylene phosphonyl aminopropyl dimethyl silanol (DPDS) and N,N’‐dimethylene phosphonyl aminopropyl methyl silandiol (DPMS). To analyze the relations between the corrosion inhibition properties and the configuration of the moleculars, N,N’‐dimethylene phosphonyl propylamine (DPPA) was also selected to be compared with these two silanes. These three compounds have same amount of phosphonyl groups in one molecular while they have different amount of hydrolysis groups. Their corrosion inhibition properties of the iron were investigated in sulfuric acid solutions by using electrochemical methods. Electrochemical results have shown that the corrosion inhibition efficiency of these three inhibitors for the iron increased firstly and then decreased when the concentration reaching the maximum value. The absorption behaviors of these three inhibitors on the iron surface fitted well with the Langmuir isotherm model. Based on the calculation of standard Gibbs free energy and equilibrium constant, the absorption processes were determined to be chemisorption. What's more, DPMS showed the better corrosion inhibition properties than DPDS and DPPA. A hypothesis of arrangement of these three inhibitors on the iron's surface was put forward to explain the difference among these three inhibitors.
All Solution‐Processed Cu2ZnSnS4 Solar Cell by Using High‐Boiling‐Point Solvent Treated Ball‐Milling Process with Efficiency Exceeding 6%
Authors: Gu Youchen , Yin Xuewen , Han Jianhua , Zhou Yu , Tai Meiqian , Zhang Qi , Li Jianbao , Hao Xiaojing , Lin Hong
Published: January 2019

To improve the crystallinity and overall film quality of the light absorbing layer is vital to further enhance the performance of sulfide Kesterite Cu2ZnSnS4 (CZTS) solar cells, especially for all solution‐processed devices using ball‐milling processed CZTS that generally leads to poor crystallization. In this work, a novel treatment method involving high‐boiling‐point solvent (HBPS), via simply spinning oleic acid (OA) solution onto CZTS precursor film coupled with an elongated annealing duration, was for the first time reported that enabled not only reduced surface roughness, but considerably increased crystalline of CZTS film. This is corroborated by an enhanced XRD intensity by eight ‐fold in conjunction with a five‐fold increased steady‐state PL intensity, the latter of which also indicates an improved CdZnS/CZTS heterojunction quality. Combined with all solution‐processed buffer layer and contact material, device using HBPS‐treated ball‐milling processed CZTS absorber yielded a power conversion efficiency of 6.1%, which is the highest reported for all solution‐processed pure‐sulfide CZTS solar cells. The HBPS‐treatment approach developed in this work is simple and effective, and in principle can promisingly be applied to any film to work synergistically with thermal annealing treatment, leading to simultaneously enhanced crystallinity and overall film quality while maintaining its planeness.