bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of ghrelin on pGSK-3β and β-catenin expression when protects against neuropathic pain behavior in rats challenged with chronic constriction injury
Authors: Peng Zhiyou , Zha Leiqiong , Yang Meijuan , Li Yunze , Guo Xuejiao , Feng Zhiying
Published: October 2019

Ghrelin has been shown to alleviate neuropathic pain by inhibiting the release of proinflammatory cytokines. The purpose of this study was to investigate the role of GSK-3β/β-catenin signaling in mediating the effect of ghrelin on neuropathic pain and to understand the associated mechanisms. Chronic constriction injury (CCI) of the sciatic nerve was used to establish a rat model of neuropathic pain. Hyperalgesia and allodynia were evaluated by observing the mechanical withdrawal threshold and the thermal withdrawal latency. Wnt3a and β-catenin protein expression and GSK-3β phosphorylation were detected by western blotting analysis. The levels of tumor necrosis factor-α and IL-1β were determined using an enzyme-linked immunosorbent assay. In addition, we used immunohistochemical analysis to determine the levels of GSK-3β phosphorylation in the dorsal horn of the spinal cord. Intrathecal delivery of ghrelin effectively ameliorated CCI-induced mechanical allodynia and thermal hyperalgesia at 7 and 14 days and reduced the levels of tumor necrosis factor-α. Ghrelin inhibited CCI-induced GSK-3β activation and β-catenin overexpression in the spinal dorsal horn. Moreover, intrathecal injection of ghrelin suppressed the activation of GSK-3β in the spinal dorsal horn of CCI rats, as assessed by immunohistochemical analysis. Our data indicated that ghrelin could markedly alleviate neuropathic pain by inhibiting the expression of β-catenin, via the suppression of GSK-3β activation, in the spinal cord of CCI rats.
Association of Microcalcification Clusters with Short-term Invasive Breast Cancer Risk and Breast Cancer Risk Factors
Authors: Alsheh Ali Maya , Czene Kamila , Hall Per , Humphreys Keith
Published: October 2019

Using for-presentation and for-processing digital mammograms, the presence of microcalcifications has been shown to be associated with short-term risk of breast cancer. In a previous article we developed an algorithm for microcalcification cluster detection from for-presentation digital mammograms. Here, we focus on digitised mammograms and use a three-step algorithm. In total, 253 incident invasive breast cancer cases (with a negative mammogram between three months and two years before diagnosis, from which we measured microcalcifications) and 728 controls (also with prior mammograms) were included in a short-term risk study. After adjusting for potential confounding variables, we found evidence of an association between the number of microcalcification clusters and short-term (within 3–24 months) invasive breast cancer risk (per cluster OR = 1.30, 95% CI = (1.11, 1.53)). Using the 728 postmenopausal healthy controls, we also examined association of microcalcification clusters with reproductive factors and other established breast cancer risk factors. Age was positively associated with the presence of microcalcification clusters (p = 4 × 10−04). Of ten other risk factors that we studied, life time breastfeeding duration had the strongest evidence of association with the presence of microcalcifications (positively associated, unadjusted p = 0.001). Developing algorithms, such as ours, which can be applied on both digitised and digital mammograms (in particular for presentation images), is important because large epidemiological studies, for deriving markers of (clinical) risk prediction of breast cancer and prognosis, can be based on images from these different formats.
Design of dispersant for highly concentrated one-dimensional Nb2Se9 inorganic molecular chains from bulk crystal
Authors: Chae Sudong , Siddiqa Akhtar J. , Oh Seungbae , Kim Bum Jun , Choi Kyung Hwan , Yu Hak Ki , Choi Jae-Young
Published: October 2019

We determined the optimum dispersant to separate bulk Nb2Se9 material into 1D chain units. The Nb2Se9, which had a negative zeta potential (−43.3 mV), showed acidic characteristics and strongly bonded with the amine head of octadecyl amine through a charge transfer (from the amine to Se atoms) reaction. The steric hindrance of the octadecyl tail resulted in excellent dispersion of Nb2Se9 (down to nanometre-sized mono-chains).
Biosensor surface functionalization by a simple photochemical immobilization of antibodies: experimental characterization by mass spectrometry and surface enhanced Raman spectroscopy
Authors: Della Ventura Bartolomeo , Banchelli Martina , Funari Riccardo , Illiano Anna , De Angelis Marella , Taroni Paola , Amoresano Angela , Matteini Paolo , Velotta Raffaele
Published: October 2019

Thirty seconds of appropriate UV irradiation brings about specific thiol formation in IgGs that allows them to bind “side on” on a thiol reactive surface, thereby making such a photochemical approach a valuable tool for surface functionalization.
Imaging live bacteria at the nanoscale: comparison of immobilisation strategies
Authors: Benn Georgina , Pyne Alice L. B. , Ryadnov Maxim G. , Hoogenboom Bart W.
Published: October 2019

Different sample preparations are compared, to facilitate atomic force microscopy (AFM) of live Gram-negative bacteria. The obtained resolution is sufficient to resolve the proteinaceous network in the outer membrane.
Bridged α-helix mimetic small molecules
Authors: Lee Yeongju , Im Haeri , Das Sanket , Oh Misook , Lee Ji Hoon , Ham Sihyun , Lim Hyun-Suk
Published: October 2019

Herein, we report a strategy for generating conformationally restricted α-helix mimetic small molecules by introducing covalent bridges that limit rotation about the central axis of α-helix mimetics.
Highly stereoselective intramolecular Buchner reaction of diazoacetamides catalyzed by a Ru(ii)–Pheox complex
Authors: Phan Thi Thanh Nga , Tone Masaya , Inoue Hayato , Fujisawa Ikuhide , Iwasa Seiji
Published: October 2019

This work reports the first efficient enantioselective intramolecular Buchner reaction of diazoacetamides.
Gold nanorods with a noncovalently tailorable surface for multi-modality image-guided chemo-photothermal cancer therapy
Authors: Yue Ludan , Sun Chen , Cheng Qian , Ding Yuanfu , Wei Jianwen , Wang Ruibing
Published: October 2019

Cucurbit[7]uril functionalized Au nanorods allowed noncovalently tailorable surface modification for image-guided, targeted chemo-photothermal cancer therapy in vitro and in vivo.
Large Ln42 coordination nanorings: NIR luminescence sensing of metal ions and nitro explosives
Authors: Shi Dongliang , Yang Xiaoping , Chen Hongfen , Jiang Dongmei , Liu Jieni , Ma Yanan , Schipper Desmond , Jones Richard A.
Published: October 2019

Two 42-metal lanthanide nanorings [Ln42L14(OH)28(OAc)84] (Ln = Nd (1), La (2)) were constructed, and the Nd42 cluster exhibits NIR luminescent sensing of metal cations and nitro explosives.
Cu2ZnSnS4 nanocrystals for microwave thermal and microwave dynamic combination tumor therapy
Authors: Tang Taya , Xu Xiaomu , Wang Zhiwen , Tian Jijing , Yang Yue , Ou Caizhang , Bao Huihui , Liu Tianlong
Published: October 2019

Effective tumor therapy employ Cu2ZnSnS4 nanocrystals as a novel susceptible agent for microwave thermal and microwave dynamic therapy.
Correction: Endoplasmic reticulum targeted chemotherapeutics: the remarkable photo-cytotoxicity of an oxovanadium(iv) vitamin-B6 complex in visible light
Authors: Banerjee Samya , Dixit Akanksha , Shridharan Radhika N. , Karande Anjali A. , Chakravarty Akhil R.
Published: October 2019

Correction for ‘Endoplasmic reticulum targeted chemotherapeutics: the remarkable photo-cytotoxicity of an oxovanadium(iv) vitamin-B6 complex in visible light’ by Samya Banerjee et al., Chem. Commun., 2014, 50, 5590–5592.
Photodetachment of deprotonated aromatic amino acids: stability of the dehydrogenated radical depends on the deprotonation site
Authors: Noble Jennifer Anna , Aranguren-Abate Juan P. , Dedonder Claude , Jouvet Christophe , Pino Gustavo A.
Published: October 2019

When aromatic amino acids are deprotonated on the carbonyl, the radicals produced upon photodetachment dissociate without barrier, forming CO2 and a radical amine. When the functional group on the chromophore is deprotonated, the radicals are stable.
Effect of the charge state on bare monoicosahedral [Au13]z+ and diphosphine-protected Au13 clusters [Au13(dmpe)5Cl2]z+: structural, electronic and vibrational DFT studies
Authors: Wing-Bocanegra A. , Tlahuice-Flores A.
Published: October 2019

The effect of charge state of diphosphine-protected Au13 clusters is explained in terms of filling of superatomic energy levels. The 1+ charge state produces a distorted inner Au13 core. The new structure is characterized by means of IR/Raman spectra.
A biotin-conjugated photo-activated CO-releasing molecule (biotinCORM): efficient CO-release from an avidin–biotinCORM protein adduct
Authors: Ward Jonathan S. , De Palo Alice , Aucott Benjamin J. , Moir James W. B. , Lynam Jason M. , Fairlamb Ian J. S.
Published: October 2019

A biotinylated carbon monoxide-releasing molecule (BiotinCORM) releases CO by photoirradiation at 400 nm; an avidin–biotinCORM adduct is an effective CO-releasing molecule.
An electrochemical process to prepare and recycle biobased ionic liquids
Authors: Fournier Antoine , de Robillard Guillaume , Bousfiha Jihane , Said Ahmed Mahado , Devillers Charles H. , Andrieu Jacques
Published: October 2019

Biosourced ionic liquids are prepared from biobased l-valine, carboxylic acids, and glyoxal and are electrochemically recycled.
Non-specific interference of cobalt with siderophore-dependent iron uptake pathways
Authors: Carballido Lopez Ana , Cunrath Olivier , Forster Anne , Pérard Julien , Graulier Gwenaëlle , Legendre Rachel , Varet Hugo , Sismeiro Odile , Perraud Quentin , Pesset Bénédicte , Saint Auguste Pamela , Bumann Dirk , Mislin Gaëtan L. A. , Coppee Jean Yves , Michaud-Soret Isabelle , Fechter Pierre , Schalk Isabelle J.
Published: October 2019

Presence of Co2+affects the production of the siderophore Pyochelin inPseudomonas aeruginosa. This repression is not Fur-dependent but due to competition of Pyochelin–Co2+with Pyochein–Fe3+for PchR (transcriptional activator).
Multifunctional nanocarriers based on graphitic-C3N4 quantum dots for tumor-targeted, traceable and pH-responsive drug delivery
Authors: Zhang Wenxian , Dong Jian , Dang Guangyao , Ji Haiwei , Jiao Peng , Sun Baoliang , Yang Mingfeng , Li Yanyan , Liu Li , Dong Lifeng
Published: October 2019

A multifunctional nanocarrier is developed for simultaneous targeted delivery, efficient tracking and cancer treatment at the cellular level.
A unique dual sensor for the detection of DCNP (nerve agent mimic) and Cd2+ in water
Authors: Ghosh Ayndrila , Das Sujoy , Mandal Saurodeep , Sahoo Prithidipa
Published: October 2019

A unique carbazole–pyrrole conjugate CPC dual sensor was successfully developed for the simultaneous detection of DCNP (nerve agent mimic) and Cd2+ – a heavy metal toxicant – in aqueous medium at very low concentrations.
A polyamide 6–organic montmorillonite composite sponge by large-scale solution foaming as a reusable and efficient oil and organic pollutant sorbent
Authors: Wang Liang , Liu Chuan-yong , Huang Qiu-mi , An Ying , Fan Jie , Liu Yong
Published: October 2019

Effective removal of oil spills or organic pollutant oils from water is of global significance for environmental protection.
Berberine improves insulin resistance in adipocyte models by regulating the methylation of hypoxia-inducible factor-3α
Authors: Wang Yuanli , Gong Wenwen , Lv Shaofang , Qu Hongmei , He Yanling
Published: October 2019

Methylation of hypoxia-inducible factor-3α (HIF3A) was previously demonstrated to be highly associated with insulin resistance (IR) in patients with gestational diabetes mellitus (GDM). We aimed to study the therapeutic effects of Berberine (BBR) on GDM and the possible mechanisms. The expressions and methylated states of HIF3A in pregnant women with GDM were compared with that in healthy controls. The IR cell models of 3T3-L1 adipocytes was constructed by 1 μmol/l dexamethasone (Dex) and 1 μmol/l insulin (Ins). To evaluate the effects of BBR on IR adipocyte models, cells were subjected to BBR treatment at different concentrations. Transfection of HIF3A siRNA further confirmed the role of HIF3A in the BBR-induced improving effects. Low expression and high methylation of HIF3A gene were frequent in the GDM pregnancies. BBR treatment noticeably increased the glucose usage rates, adiponectin secretion and cell differentiation of IR 3T3-L1 adipocytes. Increased HIF3A expression and decreased methylated state of HIF3A were also found in IR adipocytes. Furthermore, HIF3A silencing not only reversed the effects of BBR on improving insulin sensibility, but also partially abolished the expression alterations of insulin-related genes in IR adipocytes induced by BBR treatment. Our results suggest that BBR improves insulin sensibility in IR adipocyte models, and the improving effects of BBR are possibly realized through the inhibition of HIF3A methylation.
Prologue to the Forum: Vocabulary Across the School Grades
Authors: Adlof Suzanne M.
Published: October 2019

Purpose

This prologue introduces the
LSHSS
Forum: Vocabulary Across the School Grades. The goals of the forum are to provide an overview of the importance of vocabulary to literacy and academic achievement, to review evidence regarding best practices for vocabulary instruction, and to highlight recent research related to word learning with students across different grade levels.

Method

The prologue provides a foundational overview of vocabulary's role in literacy and introduces the topics of the other ten articles in the forum. These include clinical focus articles, research reviews, and word-learning and vocabulary intervention studies involving students in elementary grades through college.

Conclusion

Children with language and reading disorders experience specific challenges learning new words, but all students can benefit from high-quality vocabulary instruction. The articles in this issue highlight the characteristics of evidence-based vocabulary interventions for children of different ages, ability levels, and language backgrounds and provide numerous examples of intervention activities that can be modified for use in individual, small-group, or large-group instructional settings.
Effective Vocabulary Instruction Fosters Knowing Words, Using Words, and Understanding How Words Work
Authors: McKeown Margaret G.
Published: October 2019

Purpose

This clinical focus article will highlight the importance of vocabulary instruction, in particular, thinking about instruction in terms of focusing students' attention on words and their uses. Vocabulary knowledge that supports literacy and academic learning is extensive and multidimensional. Many learners accumulate high-quality vocabulary knowledge independently, through wide reading and rich language environments that provide abundant practice with words and language forms. However, instruction in vocabulary provides a more efficient way of getting that job done, especially for learners who are less likely to be experiencing rich language interactions, for example, because they struggle with reading and do little of it on their own.

Method

Three aspects of vocabulary instruction, choosing words to teach, the inclusion of morphological information, and the importance of engaging students in interactions around words, will be explored. Considerations in choosing words include their role in the language and their utility to students. Morphology will be discussed in terms of using Latin roots in instruction as a resource for unlocking new word meanings and a framework for understanding language.

Conclusion

Effective instruction means bringing students' attention to words in ways that promote not just knowing word meanings but also understanding how words work and how to utilize word knowledge effectively.
Representations of optical fibre communications in three‐ and four‐dimensional spaces
Authors: Rutigliano Giuseppe Giulio , Betti Silvello , Perrone Pierluigi
Published: October 2019

The authors study some electromagnetic field representations with a focus on optical communications, light polarisation and phase. Well‐known three‐ and four‐dimensional representations are compared with each other and with new ones that are presented and analysed from an analytical point of view. A symmetry emerges in the relationships between the various representations, showing that they are closely related formulas. In fact, different representations point out different characteristics or domains of the same phenomenon. This study results in a more accurate description of the electromagnetic field and especially in its capacity to carry information for telecommunications purposes. From a technological point of view, the partial orthogonality of the described spaces suggests the possibility of exploiting simultaneously more than one representation in order to carry more information or the possibility of using these representations as a natural codifying system with the aim of increasing reliability or confidentiality of communications.
Automatic drug pills detection based on enhanced feature pyramid network and convolution neural networks
Authors: Ou Yang‐Yen , Tsai An‐Chao , Zhou Xuan‐Ping , Wang Jhing‐Fa
Published: October 2019

Drug pill detection is one of the most important tasks in medication safety. The correct identification of drug based on the visual appearance is a key step towards the improvement of medication safety. Previous studies have aimed to recognise a drug based on the front or back view of the drug under a fixed viewing angle. In cases with multiple drugs and randomly placed drugs, the previous methods have difficulties in detecting and recognising different drugs in practical applications. A convolution neural network‐based detector is proposed in this work to overcome the difficulties and to assist patients in drug identification. The proposed system includes a localisation stage and a classification stage. The enhanced feature pyramid network (EFPN), is proposed for drug localisation, and Inception‐ResNet v2 is used in drug classification. The proposed Drug Pills Image Database contains a collection of 612 categories of drug datasets for deep learning research in the pharmaceutical field. The proposed EFPN achieves over 96% accuracy in the localisation experiment. In the complete system evaluation, the proposed system has obtained the Top‐1, Top‐3, and Top‐5 accuracies of 82.1, 92.4, and 94.7%, respectively.
Sleeping sickness in the historical focus of forested Guinea: update using a geographically based method
Authors: Courtin Fabrice , Camara Oumou , Camara Mamadou , Kagbadouno Moïse , Bucheton Bruno , Solano Philippe , Jamonneau Vincent
Published: October 2019

In 2017, 1447 new cases of Human African Trypanosomiasis (HAT) were reported, which reflects considerable progress towards the World Health Organisation’s target of eliminating HAT as a public health problem by 2020. However, current epidemiological data are still lacking for a number of areas, including historical HAT foci. In order to update the HAT situation in the historical focus of forested Guinea, we implemented a geographically based methodology: Identification of Villages at Risk (IVR). The methodology is based on three sequential steps: Desk-based IVR (IVR-D), which selects villages at risk of HAT on the basis of HAT archives and geographical items; Field-based IVR (IVR-F), which consists in collecting additional epidemiological and geographical information in the field in villages at risk; and to be Medically surveyed IVR (IVR-M), a field data analysis through a Geographic Information System (GIS), to compile a list of the villages most at risk of HAT, suitable to guide active screening and passive surveillance. In an area of 2385 km2 with 1420,530 inhabitants distributed in 1884 settlements, 14 villages with a population of 11,236 inhabitants were identified as most at risk of HAT and selected for active screening. Although no HAT cases could be confirmed, subjects that had come into contact with Trypanosoma brucei gambiense were identified and two sentinel sites were chosen to implement passive surveillance. IVR, which could be applied to any gambiense areas where the situation needs to be clarified, could help to reach the objective of HAT elimination.
Is There a Cutoff in Favor of Penetrating Keratoplasty Rather than Endothelial Keratoplasty for Long-Standing Endothelial Decompensation?
Authors: Jeng Bennie H.
Published: October 2019

Endothelial keratoplasty (EK) has evolved to become the standard of care over traditional penetrating keratoplasty (PK) for treating isolated corneal endothelial disease. EK provides numerous advantages including faster, more reliable visual rehabilitation, along with a lower allograft rejection rate. There are some situations, however, in which EK may not necessarily be the best option, and PK should at least be considered. In such situations, a careful weighing and balancing needs to be done in conjunction with the patient.
Regioselective Diboron-Mediated Semireduction of Terminal Allenes
Authors: Gates Ashley M. , Santos Webster L.
Published: October 2019

A method for the regioselective reduction of the terminal double bond of 1,1-disubstituted allenes has been developed. In the presence of a palladium catalyst, tetrahydroxydiboron and stoichiometric water, allene semireduction proceeds in high yield to afford Z-alkenes selectively.
Effectiveness and Safety of Primary Thromboprophylaxis in Children with Cancer: A Systematic Review of the Literature and Network Meta-Analysis
Authors: Pelland-Marcotte Marie-Claude , Tole Soumitra , Pechlivanoglou Petros , Brandão Leonardo Rodrigues
Published: October 2019

Thromboembolism (TE) is a well-recognized complication of pediatric cancer and can lead to mortality and excess morbidity. There is conflicting evidence about the effectiveness and safety of thromboprophylaxis in children. We conducted a systematic literature review and network meta-analysis of primary pharmacological thromboprophylaxis in children and adolescents (0–21 years) with cancer. The primary outcomes were objectively proven TE and major bleeding. The network meta-analysis included comparisons of multiple alternatives simultaneously: antithrombin (AT) replacement, low molecular weight heparin (LMWH), vitamin K antagonists (VKAs), and standard of care (SOC) defined as no thromboprophylaxis or low-dose heparin for catheter patency. Six articles describing 1,318 patients were included (mean age: 6.7 years, 56.7% male). Acute lymphoblastic leukemia was the underlying diagnosis in 97.5% of patients. All studies were considered at moderate or high risk of bias. LMWH was the only agent associated with lower odds of TE compared with SOC (odds ratio [OR]: 0.23, 95% confidence interval [CI]: 0.06–0.81). No statistically significant difference was detected between other thromboprophylaxis modalities and SOC. Tau2 and I
2 suggested a high degree of heterogeneity. No statistically significant differences in the odds of major bleeding were found between AT replacement, LMWH, VKA, and SOC. Current evidence suggests that low-dose LMWH is effective and safe to prevent TE in children with cancer but is insufficient to conclude if AT replacement or VKA are effective thromboprophylaxis options. Further research, notably randomized controlled trials enrolling children with diverse types of cancer, is crucially needed.
Fetal Myocardial Performance Index in the Third Trimester of Pregnancy: Feasibility and Reproducibility of Conventional Spectral Doppler versus Spectral Tissue Doppler Technique
Authors: Porche Lea M. , Sinkovskaya Elena , Seaman Rachel D. , Galadima Hadiza , Romary Letty , Philips Jennifer , Abuhamad Alfred
Published: October 2019

Objective This study aims to compare completion rates and reproducibility of myocardial performance index (MPI) using conventional spectral Doppler versus tissue Doppler in an unselected high-risk third trimester population.

Study Design This was a prospective cross-sectional study of high-risk pregnancies at ≥28 + 0 weeks’ gestation. Conventional spectral and tissue Doppler MPI of the left ventricle (LV) and right ventricle (RV) was attempted on all patients.

Results Seventy-nine pregnancies were evaluated. LV tissue Doppler MPI was completed more frequently than LV conventional spectral Doppler MPI (63/79, 79.7% vs. 45/79, 55.7%), p-value <0.01. RV tissue Doppler MPI was completed more frequently than RV conventional spectral Doppler MPI (68/79, 86% vs. 42/79, 53.2%), p-value <0.01. In obese subjects (n = 50) LV tissue Doppler MPI was completed more frequently than LV conventional spectral Doppler MPI (37/50, 74% vs. 26/50, 52%), p-value <0.01. RV tissue Doppler MPI was completed more frequently than RV conventional spectral Doppler MPI (40/50, 80% vs. 25/50, 50%), p-value <0.01. intraclass correlation coefficient for all modalities ranged between 0.73 and 0.93, except for LV conventional spectral Doppler intraobserver variability which was 0.22.

Conclusion Tissue Doppler had statistically higher completion rates than conventional spectral Doppler, including the obese subgroup, with evidence of strong reproducibility in the third trimester.
Measles: There is No Vaccine against Vaccine Phobia
Authors: McLaren Rodney A. , Stein Janet L. , Minkoff Howard
Published: October 2019

In 2000, the United States had effectively eliminated endemic measles. Unfortunately, due to misinformation and non-scientific based concerns, the rate of measles vaccination has declined. The United States is in the midst of its largest outbreak of measles since 2014, with 1,095 confirmed cases as of June 2019. The reasons for the re-emergence of measles and what this epidemic illustrates about the anti-vaccine culture in the United States are explored in this article.
The Impact of Anti-Tumor Necrosis Factor Alpha Therapy on Postoperative Complications in Pediatric Crohn's Disease
Authors: Dotlacil Vojtech , Bronsky Jiri , Hradsky Ondrej , Frybova Barbora , Coufal Stepan , Skaba Richard , Rygl Michal
Published: October 2019

Introduction The incidence of Crohn's disease (CD) within the pediatric population is increasing worldwide. Despite a growing number of these patients receiving anti-tumor necrosis factor α therapy (anti-TNF-α), one-third of them still require surgery. There is limited data as to whether anti-TNF-α influences postoperative complications. We evaluated postoperative complications in patients who were or were not exposed to anti-TNF-α therapy in our institutional cohort.

Materials and Methods A retrospective review of CD patients who underwent abdominal surgery between September 2013 and September 2018 was performed. The patients were divided into two groups based on whether they were treated with anti-TNF-α within 90 days before surgery. Thirty-day postoperative complications were assessed using Clavien–Dindo classification (D-C); this examination included surgical site infections (SSIs), stoma complications, intra-abdominal septic complications, non-SSIs, bleeding, ileus, readmission rate, and return to the operating room. Mann–Whitney U-test, Fisher's exact test, and multivariate logistic regression analyses were used for statistical analysis.

Results Sixty-five patients (41 males) with a median age of 16 years (range: 7–19) at the time of operation were identified. The most common surgery was ileocecal resection in 49 (75%) patients. Forty-three (66.2%) patients were treated with anti-TNF-α preoperatively. Seven patients (11%) experienced postoperative complications. There was no statistically significant difference in postoperative complication in patients who did or did not receive anti-TNF-α before surgery (D-C minor 2.3% vs. 4.6%, p = 1; D-C major 7% vs. 9.1%, p = 1).

Conclusion The use of anti-TNF-α in pediatric CD patients within the 90 days prior to their abdominal surgery was not associated with an increased risk of 30-day postoperative complications.
Mitochondrial DNA: A Biomarker of Disease Severity in Necrotizing Enterocolitis
Authors: Bindi Edoardo , Li Bo , Zhou Haitao , Janssen Lok Maarten , Alganabi Mashriq , Angotti Rossella , Pierro Agostino
Published: October 2019

Introduction There is a need to develop sensitive markers to diagnose or monitor the severity of intestinal damage in necrotizing enterocolitis (NEC). Mitochondrial deoxyribonucleic acid (mtDNA) is increased in the intestine and blood of adults in response to intestinal ischemia and can trigger secondary organ damage. We hypothesize that mtDNA is increased during experimental NEC and that mtDNA levels are correlated to the degree of intestinal injury.

Materials and Methods NEC was induced in C57BL/6 mice (n = 18) (approval: 44032) by gavage feeding with hyperosmolar formula, hypoxia, and lipopolysaccharide administration from postnatal day (P) 5 to 9. Breastfed pups served as control (n = 15). Blood was collected by cardiac puncture and terminal ileum was harvested on P9. Reverse transcription quatitative polymerase chain reaction was used to measure mtDNA (markers COX3, CYTB, ND1) and inflammatory cytokines (interleukin 6 [IL-6] and tumor necrosis factor-α[TNF-α]) in blood and ileum. Intestinal injury was scored blindly by four investigators and classified as no/minor injury (score 0 or 1) or NEC (score ≥2).

Results mtDNA is significantly increased in gut and blood of NEC mice (p < 0.05). Furthermore, mtDNA increases in intestine and blood proportionally to the degree of intestinal injury as indicated by a positive correlation with histological scoring and inflammation (r = 0.6; p < 0.05) (expression of IL-6 and TNF-α).

Conclusion Following NEC intestinal injury, mtDNA is released from the intestine into circulation. The blood level of mtDNA is related to the degree of intestinal injury. mtDNA can be a novel marker of intestinal injury and can be useful for monitoring the progression of NEC.
Central limit theorem near the critical temperature for the overlap in the 2-spin spherical SK model
Authors: Nguyen Vu Lan , Sosoe Philippe
Published: October 2019

We prove a central limit theorem for the normalized overlap in the spherical SK model in the high temperature phase. The convergence holds almost surely with respect to the disorder variables, and the inverse temperature can approach the critical value at a polynomial rate with any exponent strictly greater than −1/3.
Least cost generation expansion planning in the presence of renewable energy sources using correction matrix method with indicators-based discrete water cycle algorithm
Authors: Ashraf Muhammad Mansoor , Malik Tahir Nadeem
Published: October 2019

Generation expansion planning (GEP) is a vital step in power system planning after load forecast. It is a highly constrained, dynamic, combinatorial, and discrete optimization problem. Mathematically, it is modeled as a mixed-integer nonlinear programming problem with high dimensionality and stochastic characteristics. The integration of renewable energy sources makes the GEP problem a complicated task and less reliable due to its intermittent nature. Meta-heuristic approaches are considered as potential solution methodologies to optimize the least cost GEP problem. This paper presents a novel GEP optimization framework to pursue the least cost GEP achieving a certain reliability level according to the forecasted demand for a planning horizon. The proposed GEP optimization framework is a correction matrix method with an indicator-based discrete water cycle algorithm (DWCA-CMMI). In DWCA-CMMI, a new parallel constraint handling approach, called a correction matrix method with indicators (CMMI), has been developed. DWCA-CMMI requires a smaller number of iterations and search agents to minimize the total GEP cost as compared to penalty factor-based metaheuristic approaches. Hence, CMMI enhances the convergence speed of the algorithm, avoids trapping in local optima, and improves both exploration and particularly exploitation. The proposed optimization framework is applied to reliability constrained and emission constrained GEP problems (test systems) from the literature. The proposed framework shows the promising results in terms of least cost and runtime as compared to results given by recent approaches presented in the literature. The applicability of the proposed approach has also been evaluated by applying to a real case study of Pakistan's power system to devise the feasible generation expansion plan.
Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption
Authors: Bafekry Asadollah , Farjami Shayesteh Saber , Ghergherehchi Mitra , Peeters Francois M.
Published: October 2019

Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching −8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in −8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0–1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character.
Collision-induced absorption in Ar–Kr gas mixtures: A molecular dynamics study with new potential and dipole data
Authors: Fakhardji Wissam , Szabó Péter , El-Kader M. S. A. , Haskopoulos Anastasios , Maroulis George , Gustafsson Magnus
Published: October 2019

We have implemented a scheme for classical molecular dynamics simulations of collision-induced absorption. The program has been applied to a gas mixture of argon (Ar) and krypton (Kr). The simulations are compared with accurate quantum dynamical calculations. The comparisons of the absorption coefficients show that classical molecular dynamics is correct within 10% for photon wave numbers up to 220 cm−1 at a temperature of 200 K for this system. At higher temperatures, the agreement is even better. Molecular dynamics accounts for many-body interactions, which, for example, give rise to continuous dimer formation and destruction in the gas. In this way, the method has an advantage compared with bimolecular classical (trajectory) treatments. The calculations are carried out with a new empirical Ar–Kr pair potential. This has been obtained through extensive analysis of experimental thermophysical and transport properties. We also present a new high level ab initio Ar–Kr potential curve for comparison, as well as ab initio interaction-induced dipole curves computed with different methods. In addition, the Ar–Kr polarizability and hyperpolarizability are reported. A comparison of the computed absorption spectra with an experiment taken at 300 K shows satisfactory agreement although a difference in absolute magnitude of 10%–15% persists. This discrepancy we attribute mainly to experimental uncertainty.
Vlasov code simulation of contact discontinuities
Authors: Umeda Takayuki , Tsujine Naru , Nariyuki Yasuhiro
Published: October 2019

The stability of contact discontinuities formed by the relaxation of two Maxwellian plasmas with different number densities but the same plasma thermal pressure is studied by means of a one-dimensional electrostatic full Vlasov simulation. Our simulation runs with various combinations of ion-to-electron ratios of the high-density and low-density regions showed that transition layers of density and temperature without jump in the plasma thermal pressure are obtained when the electron temperatures in the high-density and low-density regions are almost equal to each other. However, the stable structure of the contact discontinuity with a sharp transition layer on the Debye scale is not maintained. It is suggested that non-Maxwellian velocity distributions are necessary for the stable structure of contact discontinuities.
Terahertz sensing of 7 nm dielectric film with bound states in the continuum metasurfaces
Authors: Srivastava Yogesh Kumar , Ako Rajour Tanyi , Gupta Manoj , Bhaskaran Madhu , Sriram Sharath , Singh Ranjan
Published: October 2019

The fingerprint spectral response of several materials with terahertz electromagnetic radiation indicates that terahertz technology is an effective tool for sensing applications. However, sensing few nanometer thin-films of dielectrics with much longer terahertz waves (1 THz = 0.3 mm) is challenging. Here, we demonstrate a quasibound state in the continuum (BIC) resonance for sensing of a nanometer scale thin analyte deposited on a flexible metasurface. The large sensitivity originates from the strong local field confinement of the quasi-BIC Fano resonance state and extremely low absorption loss of a low-index cyclic olefin copolymer substrate. A minimum thickness of 7 nm thin-film of germanium is sensed on the metasurface, which corresponds to a deep subwavelength scale of λ/43 000, where λ is the resonance wavelength. The low-loss, flexible, and large mechanical strength of the quasi-BIC microstructured metamaterial sensor could be an ideal platform for developing ultrasensitive wearable terahertz sensors.
Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity
Authors: March Anne Marie , Doumy Gilles , Andersen Amity , Al Haddad Andre , Kumagai Yoshiaki , Tu Ming-Feng , Bang Joohee , Bostedt Christoph , Uhlig Jens , Nascimento Daniel R. , Assefa Tadesse A. , Németh Zoltán , Vankó György , Gawelda Wojciech , Govind Niranjan , Young Linda
Published: October 2019

Ligand substitution reactions are common in solvated transition metal complexes, and harnessing them through initiation with light promises interesting practical applications, driving interest in new means of probing their mechanisms. Using a combination of time-resolved x-ray absorption spectroscopy and hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations and x-ray absorption near-edge spectroscopy calculations, we elucidate the mechanism of photoaquation in the model system iron(ii) hexacyanide, where UV excitation results in the exchange of a CN− ligand with a water molecule from the solvent. We take advantage of the high flux and stability of synchrotron x-rays to capture high precision x-ray absorption spectra that allow us to overcome the usual limitation of the relatively long x-ray pulses and extract the spectrum of the short-lived intermediate pentacoordinated species. Additionally, we determine its lifetime to be 19 (±5) ps. The QM/MM simulations support our experimental findings and explain the ∼20 ps time scale for aquation as involving interconversion between the square pyramidal (SP) and trigonal bipyramidal pentacoordinated geometries, with aquation being only active in the SP configuration.
Plasmonic laser with distributed feedback
Authors: Tanyi E. K. , Mashhadi S. , On C. , Faruk Md. O. , Harrison E. , Noginova N. , Noginov M. A.
Published: October 2019

We have demonstrated a low-threshold surface-emitting plasmonic laser radiating two symmetrical beams (at 30° from the normal to the sample) characterized by a narrow (≤1 nm) spectral width, and explained its performance in terms of the distributed feedback mechanism. The results of our study provide an extra degree of freedom to the plasmonic laser design.
Electrically detected magnetic resonance study of barium and nitric oxide treatments of 4H-SiC metal-oxide-semiconductor field-effect transistors
Authors: Ashton J. P. , Lenahan P. M. , Lichtenwalner D. J. , Lelis A. J. , Anders M. A.
Published: October 2019

We report on the effects of barium interfacial layer (IL) deposition and nitric oxide (NO) anneals on interface/near-interface defects in 4H-SiC metal-oxide-semiconductor field-effect transistors utilizing electrically detected magnetic resonance (EDMR). The 4H-SiC/SiO2 interface has a large number of electrically active defects that reduce the effective channel mobility. Various passivation schemes have been utilized to decrease the interface defect density and thus increase mobility. Two passivation schemes of great interest are postoxidation annealing in nitric oxide (NO) and deposition of a barium interfacial layer (IL) before oxide growth. Our measurements compare the chemical nature of defects very near the 4H-SiC/SiO2 interface in devices utilizing both passivation schemes and nonpassivated devices. Both the NO anneal and the barium IL greatly reduce the interface region EDMR response, which corresponds to a large improvement in mobility. However, the EDMR response in devices subjected to the two passivation processes is somewhat different. We present results that suggest spin lattice relaxation times are longer in samples that received a barium IL than in samples with NO annealing; this result suggests a lower level of local strain within the vicinity of defects very near the 4H-SiC/SiO2 interface in barium treated samples over NO annealed samples.
Electrohydrodynamic droplet injection method into model oil
Authors: Xia You
Published: October 2019

Electrohydrodynamic (EHD) drop injection method consists of injecting droplets via electro-hydrodynamic force. This EHD method can produce droplets with diameters independent on the used capillary nozzle size, even to obtain droplets with diameters of 40 times smaller than the nozzle size. Up to now, the multi-stage pulse (MSP) based EHD injection has not been well developed because the method of finding suitable MSP shape for series of droplet injections into different liquids has not been precisely defined. This paper aims at giving detail information on defining best MSP shape for droplet injections.
Resonance enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: A proposal
Authors: Lehmann Kevin K.
Published: October 2019

This paper presents an analysis of near-resonant, rovibrational two-photon spectroscopy and the use of cavity ring-down spectroscopy for its detection. Expressions are derived for the photon absorption rate of a three-level system, correct to all orders and the simpler expressions that result from various approximations. The analysis includes the angular momentum projection degeneracies and linear or circular polarization of the exciting field. Expressions are derived for the rate of two-photon power loss for light inside a resonant cavity. Explicit calculations are made for excitation of the ν3 mode of 12C16O2 for which the two-photon excitation spectrum is dominated by a single v3 = 0 → 2, Q(16) line at ν̃=2335.826 cm−1. This transition has an intermediate v3 = 0 → 1, P(16) one-photon transition that is off resonance by 0.093 cm−1 (2.8 GHz). At 1 Torr total pressure, the Q(16) two-photon transition is calculated to have a cross section of 2.99 × 10−38 cm4 s per CO2 molecule in the J = 16 state or 2.24 × 10−39 cm4 s per CO2 molecule at 300 K. The analysis of the sensitivity limits for 2-photon cavity ring-down spectroscopy predicts a theoretical detection limit of 32 ppq (10−15) Hz−1/2 for 12C16O2, higher sensitivity than has been realized using one-photon absorption. The analysis predicts that most polyatomic molecules will have sparse, Doppler-free two-photon absorption spectra, which will dramatically increase the selectivity of trace gas detection of samples with multiple components with overlapping absorption bands. This is demonstrated by the predicted mid-IR two-photon absorption spectrum of butadiene using theoretical spectroscopic constants.
Ideal-gas thermodynamic properties of proteinogenic aliphatic amino acids calculated by R1SM approach
Authors: Štejfa Vojtěch , Fulem Michal , Růžička Květoslav
Published: October 2019

In this work, a R1SM approach was applied for the calculation of ideal-gas thermodynamic properties of five amino acids with aliphatic side chains: glycine, alanine, valine, leucine, and isoleucine. The first step of the calculation was an extensive conformational analysis that located several conformers not reported previously. A new systematic and user-friendly nomenclature of the conformers was introduced, and the stable conformers were clearly assigned with the previously used labeling where possible. Stability and calculated relative energies of the conformers were compared between various levels of theory and with several experimental studies, demonstrating a good performance of the selected B3LYP-D3/6-311+G(2df,p) level of theory. As a second step, the theoretically calculated vibrational frequencies were compared to the previously reported experimental spectra to verify the performance of the applied double-linear scaling factor. Finally, ideal-gas heat capacities, enthalpies, and absolute entropies were calculated, accounting for all stable conformers using the R1SM model. The resulting thermodynamic data are presented for the first time, since they cannot be determined experimentally and their rigorous calculation requires a complex thermodynamic model.
Write head design for curvature reduction in heat-assisted magnetic recording by topology optimization
Authors: Muthsam O. , Vogler C. , Bruckner F. , Suess D.
Published: October 2019

The reduction of the transition curvature of written bits in heat-assisted magnetic recording is expected to play an important role for the future areal density increase of hard disk drives. Recently, a write head design with flipped write and return poles was proposed. In this design, a large spatial field gradient of the write head was the key to significantly reduce the transition curvature. In this work, we optimized the write pole of a heat-assisted magnetic recording head in order to produce large field gradients as well as large fields in the region of the heat pulse. This is done by topology optimization. The simulations are performed with dolfin-adjoint. For the maximum field gradients of 8.1 mT/nm, 8.6 mT/nm, and 11.8 mT/nm, locally resolved footprints of an FePt-like hard magnetic recording medium are computed with a coarse-grained Landau-Lifshitz-Bloch model, and the resulting transition curvature is analyzed. Additional simulations with a bilayer structure with a 50% hard and 50% soft magnetic material are computed. The results show, that for both recording media, the optimized head design does not lead to any significant improvements in the written track. Thus, we analyze the transition curvature for the optimized write heads theoretically with an effective recording time window model. Moreover, we check how higher field gradients influence the curvature reduction. The results show that a simple optimization of the conventional head design is not sufficient for effective curvature reduction. Instead, new head concepts will be needed to reduce the transition curvature.