bluuebunny/crossref_metadata_2025 huggingface dataset:
Maternal depression attenuates newborn vitamin D concentrations in winter-spring: a prospective population-based study
Authors: Zhou Qi-fan , Zhang Meng-xiao , Tong Shi-lu , Tao Rui-xue , Hao Jia-hu , Huang Kun , Tao Fang-biao , Zhu Peng
Published: May 2017

We aimed to investigate whether the newborns of mothers with maternal depression (MD) had lower vitamin D levels than newborns of non-MD (NMD) mothers and identify the potential mechanism underlying this association. Maternal depressive symptoms in late pregnancy and concentrations of cord blood 25 hydroxyvitamin D (25(OH)D) were measured in 1491 mother-infant pairs. Data on maternal sociodemographic characteristics, health status, lifestyle and birth outcomes were prospectively collected. For infants born in winter-spring, the infants of MD mothers had significantly reduced concentrations of 25(OH) D (adjusted β = −3.51 nmol/L; 95% CI: −6.19, −0.84; P = 0.010) and lower birth weight (3267 ± 470 g vs 3348 ± 598 g, F = 4.64, P = 0.031), compared with the infants of NMD mothers. A significant, inverse linear relationship was noted between maternal depression scores and the concentration of 25(OH)D for infants born in winter-spring (adjusted β = −0.158; 95% CI: −0.259, −0.057). The significant, inverse linear relationship between maternal depression scores and fetomaternal ratios of 25(OH) D was also observed among the infants born in winter-spring (adjusted β = −0.005; 95% CI: −0.008, −0.003). MD appears to significantly attenuate the vitamin D concentrations and birth weight of infants born in winter-spring. A decreased fetomaternal ratio of 25(OH)D might be involved in this biological pathway.
Correction: Corrigendum: Possible generation of heat from nuclear fusion in Earth’s inner core
Authors: Fukuhara Mikio
Published: May 2017

Scientific Reports 6: Article number: 37740; published online 23 November 2016; updated on 02 May 2017 The original version of this Article contained errors resulting from the incorrect calculation of formation energy in Equation 6. In the Abstract, “2D + 2D + 2D → 21H + 4He + 2 + 20. 85 MeV. The possible heat generation rate can generation rate can be calculated as 8.
Asymmetrical barcode adapter-assisted recovery of duplicate reads and error correction strategy to detect rare mutations in circulating tumor DNA
Authors: Ahn Jinwoo , Hwang Byungjin , Young Kim Ha , Jang Hoon , Kim Hwang-Phill , Han Sae-Won , Kim Tae-You , Hyun Lee Ji , Bang Duhee
Published: May 2017

Deep sequencing is required for the highly sensitive detection of rare variants in circulating tumor DNA (ctDNA). However, there remains a challenge for improved sensitivity and specificity. Maximum-depth sequencing is crucial to detect minority mutations that contribute to cancer progression. The associated costs become prohibitive as the numbers of targets and samples increase. We describe the targeted sequencing of KRAS in plasma samples using an efficient barcoding approach to recover discarded reads marked as duplicates. Combined with an error-removal strategy, we anticipate that our method could improve the accuracy of genotype calling, especially to detect rare mutations in the monitoring of ctDNA.
Childhood life events, immune activation and the development of mood and anxiety disorders: the TRAILS study
Authors: Jonker I , Rosmalen J G M , Schoevers R A
Published: May 2017

The experience of childhood life events is associated with higher vulnerability to develop psychiatric disorders. One of the pathways suggested to lead to this vulnerability is activation of the immune system. The aim of this study is to find out whether the association between childhood life events and the development of mood and anxiety disorders is predicted by the activation of the immune system. This study was performed in TRAILS, a large prospective population cohort, from which a subgroup was selected (N=1084, 54.3% female, mean age 19.0 (s.d., 0.6)). Childhood life events before age 16 were assessed using questionnaires at age 12, 14, 16 and 19. Immune activation was assessed at age 16 by elevated high-sensitive C-reactive protein (hsCRP) and by levels of immunoglobulin G antibodies against the herpes viruses herpes simplex virus 1, cytomegalovirus and Epstein–Barr virus. At age 19, the presence of mood and anxiety disorders was determined using the World Health Organization Composite International Diagnostic Interview Version 3.0. Regression analyses were used to study the association between life events, the inflammatory markers and mental health. We found that childhood life events score was associated with risk of mood disorders (B=0.269, P<0.001) and anxiety disorders (B=0.129, P<0.001). Childhood life events score was marginally associated with elevated hsCRP (B=0.076, P=0.006), but not with the antibody levels. This was especially due to separation trauma (P=0.015) and sexual abuse (P=0.019). Associations lost significance after correcting for lifestyle factors such as body mass index and substance abuse (P=0.042). None of the inflammatory markers were associated with development of anxiety disorders or mood disorders. In conclusion, the life event scores predicted the development of anxiety disorders and mood disorders at age 19. Life event scores were associated with elevated hsCRP, which was partly explained by lifestyle factors. Elevated hsCRP was not associated with the development of psychiatric disorders at age 19.
Epigenetic and transgenerational mechanisms in infection-mediated neurodevelopmental disorders
Authors: Weber-Stadlbauer U
Published: May 2017

Prenatal infection is an environmental risk factor for various brain disorders with neurodevelopmental components, including autism spectrum disorder and schizophrenia. Modeling this association in animals shows that maternal immune activation negatively affects fetal brain development and leads to the emergence of behavioral disturbances later in life. Recent discoveries in these preclinical models suggest that epigenetic modifications may be a critical molecular mechanism by which prenatal immune activation can mediate changes in brain development and functions, even across generations. This review discusses the potential epigenetic mechanisms underlying the effects of prenatal infections, thereby highlighting how infection-mediated epigenetic reprogramming may contribute to the transgenerational transmission of pathological traits. The identification of epigenetic and transgenerational mechanisms in infection-mediated neurodevelopmental disorders appears relevant to brain disorders independently of existing diagnostic classifications and may help identifying complex patterns of transgenerational disease transmission beyond genetic inheritance. The consideration of ancestral infectious histories may be of great clinical interest and may be pivotal for developing new preventive treatment strategies against infection-mediated neurodevelopmental disorders.
Critical behavior in tetragonal antiperovskite GeNFe3with a frustrated ferromagnetic state
Authors: Kan X. C. , Wang B. S. , Zhang L. , Zu L. , Lin S. , Lin J. C. , Tong P. , Song W. H. , Sun Y. P.
Published: May 2017

Tetragonal GeNFe3has a second-order ferromagnetic (FM) to paramagnetic transition at 76 K.
Metal–organic frameworks: functional luminescent and photonic materials for sensing applications
Authors: Lustig William P. , Mukherjee Soumya , Rudd Nathan D. , Desai Aamod V. , Li Jing , Ghosh Sujit K.
Published: May 2017

This review summarizes the diverse routes to derive sensing applications from suitably functionalized and crystal-engineered metal–organic framework (MOF) materials, either by fluorometric responses, or based on photonic crystal-based signal transduction.
The impact of Thr91 mutation on c-Src resistance to UM-164: molecular dynamics study revealed a new opportunity for drug design
Authors: Ndagi Umar , Mhlongo Ndumiso N. , Soliman Mahmoud E.
Published: May 2017

The emergence of a drug resistant non-receptor tyrosine kinase (c-Src) in triple-negative breast cancer (TNBC) remains a prime concern in relation to the burden of TNBC among people living with breast cancer and drug development.
Design and synthesis of 1,2,3-triazole–etodolac hybrids as potent anticancer molecules
Authors: Kummari Bhaskar , Polkam Naveen , Ramesh Perla , Anantaraju Hasithashilpa , Yogeeswari Perumal , Anireddy Jaya Shree , Guggilapu Sravanthi Devi , Babu Bathini Nagendra
Published: May 2017

A series of novel 1,2,3-triazole–etodolac hybrids (6a–l) were synthesized as potent anti-cancer molecules and the synthesis strongly relies on Huisgen's 1,3-dipolar cycloaddition between etodolac azide 3 and substituted terminal alkynes 5a–l.
Re-configurable, multi-mode contained-electrospray ionization for protein folding and unfolding on the millisecond time scale
Authors: Miller Colbert F. , Kulyk Dmytro S. , Kim Jongin W. , Badu-Tawiah Abraham K.
Published: May 2017

Contained-electrospray ionization enables online selection of protein charge states by a direct infusion of reactive vapors and liquids into charged micro-droplets.
Efficient purification of arsenic-contaminated water using amyloid–carbon hybrid membranes
Authors: Bolisetty Sreenath , Reinhold Noemi , Zeder Christophe , Orozco Monica N. , Mezzenga Raffaele
Published: May 2017

We show the purification of arsenic-contaminated water using amyloid fibril-based membranes, which adsorb both the arsenate (+5) and arsenite (+3) oxidation forms at efficiencies of ∼99%.
Interfacial synthesis of ordered and stable covalent organic frameworks on amino-functionalized carbon nanotubes with enhanced electrochemical performance
Authors: Sun Bing , Liu Jian , Cao Anmin , Song Weiguo , Wang Dong
Published: May 2017

Highly ordered 2D COFTTA–DHTAwas synthesized on amino-functionalized MWCNTs with high crystallinity, regular pore structures and improved electrochemical performance.
Peptide array functionalization via the Ugi four-component reaction
Authors: Ridder B. , Mattes D. S. , Nesterov-Mueller A. , Breitling F. , Meier M. A. R.
Published: May 2017

The Ugi four-component reaction was investigated as a tool for the functionalization of peptide arraysviapost-synthetic side-chain modification as well as integration of an Ugi unit into a growing peptide chain.
Exploring biomolecular energy landscapes
Authors: Joseph Jerelle A. , Röder Konstantin , Chakraborty Debayan , Mantell Rosemary G. , Wales David J.
Published: May 2017

This feature article presents the potential energy landscape perspective, which provides both a conceptual and computational framework for structure prediction, and decoding the global thermodynamics and kinetics of biomolecules.
Confinement effects of a crystalline sponge on ferrocene and ferrocene carboxaldehyde
Authors: Brunet Gabriel , Safin Damir A. , Robeyns Koen , Facey Glenn A. , Korobkov Ilia , Filinchuk Yaroslav , Murugesu Muralee
Published: May 2017

The confinement effects of a crystalline sponge on organometallic sandwich compounds are investigated, in which a network of weak non-covalent interactions effectively dictate guest inclusion behaviour and motional dynamics.
A study on one-step laser nanopatterning onto copper–hydrazone-complex thin films and its mechanism
Authors: Zhang Kui , Chen Zhimin , Wei Jingsong , Wei Tao , Geng Youyong , Wang Yang , Wu Yiqun
Published: May 2017

One-step nanopatterning onto copper–hydrazone-complex thin films through diode-based laser writing lithography system working at visible light wavelengths.
Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays
Authors: Franzke Yannick J. , Sundholm Dage , Weigend Florian
Published: May 2017

The aromaticity of cyclic porphyrin and isoporphyrin arrays has been studied by calculating the strength and pathways of magnetically induced current densities.
Structural heterogeneity in a parent ground-state structure of AnPixJg2 revealed by theory and spectroscopy
Authors: Scarbath-Evers Laura Katharina , Jähnigen Sascha , Elgabarty Hossam , Song Chen , Narikawa Rei , Matysik Jörg , Sebastiani Daniel
Published: May 2017

Extensive molecular dynamics simulations reveal two distinct isoforms of the cyanobacteriochrome AnPixJg2 (in its Pr state) with different chromophore conformations, yielding implications for spectroscopic properties.
Assessment of electronic structure methods for the determination of the ground spin states of Fe(ii), Fe(iii) and Fe(iv) complexes
Authors: Verma Pragya , Varga Zoltan , Klein Johannes E. M. N. , Cramer Christopher J. , Que Lawrence , Truhlar Donald G.
Published: May 2017

We studied spin states of Fe2+ ion, gaseous FeO, and 14 Fe(ii), Fe(iii) and Fe(iv) complexes using density functional theory.
Gate-controlled heat generation in ZnO nanowire FETs
Authors: Pescaglini Andrea , Biswas Subhajit , Cammi Davide , Ronning Carsten , Holmes Justin D. , Iacopino Daniela
Published: May 2017

A three-terminal nanowire architecture has been shown capable to enhance the Joule heating power in single semiconductor nanowires expanding the range of applications for nano-heater devices.
Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse
Authors: Takanashi Tsukasa , Nakamura Kosuke , Kukk Edwin , Motomura Koji , Fukuzawa Hironobu , Nagaya Kiyonobu , Wada Shin-ichi , Kumagai Yoshiaki , Iablonskyi Denys , Ito Yuta , Sakakibara Yuta , You Daehyun , Nishiyama Toshiyuki , Asa Kazuki , Sato Yuhiro , Umemoto Takayuki , Kariyazono Kango , Ochiai Kohei , Kanno Manabu , Yamazaki Kaoru , Kooser Kuno , Nicolas Christophe , Miron Catalin , Asavei Theodor , Neagu Liviu , Schöffler Markus , Kastirke Gregor , Liu Xiao-Jing , Rudenko Artem , Owada Shigeki , Katayama Tetsuo , Togashi Tadashi , Tono Kensuke , Yabashi Makina , Kono Hirohiko , Ueda Kiyoshi
Published: May 2017

The Coulomb explosion mechanism of a CH2I2 molecule is rather different to that of CH3I. The kinetic energy of iodine ions is ∼3 times larger due to Coulomb repulsion of the two iodine ions, while that of carbon ions is almost the same for both, as indicated by the red arrows that represent kinetic energies of the atomic ions.
Isomerisation of an intramolecular hydrogen-bonded photoswitch: protonated azobis(2-imidazole)
Authors: Bull James N. , Scholz Michael S. , Coughlan Neville J. A. , Bieske Evan J.
Published: May 2017

Reversible E–Z photoswitching of a protonated azoheteroarene is demonstrated using ion mobility mass spectrometry.
Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions
Authors: Otlyotov Arseniy A. , Lamm Jan-Hendrik , Blomeyer Sebastian , Mitzel Norbert W. , Rybkin Vladimir V. , Zhabanov Yuriy A. , Tverdova Natalya V. , Giricheva Nina I. , Girichev Georgiy V.
Published: May 2017

1,8-Bis[(trimethylsilyl)ethynyl]anthracene is extremely flexible and difficult to predict by DFT methods; gas electron diffraction plus molecular dynamics calculations enlighten competing intramolecular forces.
Evaluation of laser ablation double-focusing SC-ICPMS for “common” lead isotopic measurements in silicate glasses and minerals
Authors: Pietruszka Aaron J. , Neymark Leonid A.
Published: May 2017

A method for the measurement of “common” lead isotope ratios in silicate glasses and minerals using LA-SC-ICPMS is described and evaluated.
Antimony speciation in spirits stored in PET bottles: identification of a novel antimony complex
Authors: Carneado S. , López-Sánchez J. F. , Sahuquillo A. , Klontzas E. , Froudakis G. E. , Pergantis S. A.
Published: May 2017

Speciation analysis by LC-ICP-MS detected an unknown Sb complex inrakisamples. Its structure was investigated by using LC with high resolution mass spectrometry. The analysis gave evidence for an acetaldehyde–bisulphite pyruvate Sb complex with the formula: C7H14O12S2Sb.
Defect control in Ca1−δCeδAg1−δSb (δ ≈ 0.15) through Nb doping
Authors: Li Xin , Yu Jun-Jie , Liu Yin-Tu , Wu Zhen , Guo Jia , Zhu Tie-Jun , Zhao Xin-Bing , Tao Xu-Tang , Xia Sheng-Qing
Published: May 2017

By controlled Nb-doping the point-defect structure of the thermoelectric material Ca1−δREδAg1−δSb is modulated.
Sustainable metal-free carbogels as oxygen reduction electrocatalysts
Authors: Preuss K. , Tănase L. C. , Teodorescu C. M. , Abrahams I. , Titirici M.-M.
Published: May 2017

A simple synthesis approach is presented to produce sustainable electrocatalysts with tuneable surface area, porosity, morphology and functionality.
Hybrid TiO2/metal nanoparticle microstructures made by microcontact printing, absorption and electroless deposition
Authors: Lamping Sebastian , Ravoo Bart Jan
Published: May 2017

TiO2/metal hybrid microstructures are obtained by a combination of “top-down” (printing) and “bottom-up” (absorption) assembly.
Enantioselective Catalytic Methods for the Elaboration of Chiral Tetrahydro-β-carbolines and Related Scaffolds
Authors: Glinsky-Olivier Nicolas , Guinchard Xavier
Published: May 2017

Tetrahydro-β-carbolines are important synthetic intermediates in the total synthesis of natural products and of compounds exhibiting strong bioactivities. Over the last decades, catalytic methods using chiral catalysts have been described for their synthesis. This review covers catalytic and enantioselective methods to access chiral tetrahydro-β-carbolines and their applications in the elaboration of complex chiral molecules.

1 Introduction

2 Asymmetric Reduction of Dihydro-β-carbolines

2.1 Asymmetric Transfer Hydrogenation Reactions

2.2 Asymmetric Hydrogenation Reactions

2.3 Biocatalyzed Reduction of Dihydro-β-carbolines

3 Organocatalyzed Pictet–Spengler Reactions

3.1 Chiral Thiourea-Catalyzed Reactions

3.2 Chiral Phosphoric Acid Catalyzed Reactions

4 Pictet–Spengler Reactions of In Situ Generated Cyclic Iminiums

5 Organocatalyzed Functionalization of Dihydro-β-carboliniums

6 Organocatalyzed Alkylation of Tetrahydro-β-carbolines

7 Biocatalyzed Dynamic Kinetic Resolution of Tetrahydro-β-carbolines

8 Conclusion and Perspectives
Reusable and Magnetic Palladium and Copper Oxide Catalysts in Direct ortho and meta Arylation of Anilide Derivatives
Authors: Vásquez-Céspedes Suhelen , Holtkamp Michael , Karst Uwe , Glorius Frank
Published: May 2017

We report a general, direct C–H arylation of anilide derivatives using reusable palladium or copper oxide on magnetite as heterogeneous precatalysts. Highly selective ortho and meta arylations are achieved using electronically and sterically diverse diaryliodonium salts. Catalytically active soluble species from the heterogeneous precursors were detected by experimental techniques. Preliminary mechanistic investigation suggests different reaction pathways for each of the catalysts.
Phosphorus Pentasulfide Mediated Conversion of Primary Carbamates into Thiols
Authors: Gupta Pradeep , Maurya Chandra
Published: May 2017

In this paper, we report a method for the conversion of primary carbamates into thiols in the presence of phosphorus pentasulfide (P2S5) in refluxing toluene. Presently, no method exists in the literature for conversion of carbamates into thiols and, to the best of our knowledge, it is the first report for this type of conversion. This method presents an indirect route for the conversion of alcohols into thiols via their carbamate derivatives that may be useful in the total synthesis of compounds containing a thiol functionality.
Does Addition of Adductor Canal Blockade to Multimodal Periarticular Analgesia Improve Discharge Status, Pain Levels, Opioid Use, and Length of Stay after Total Knee Arthroplasty?
Authors: Gwam Chukwuweike , Mistry Jaydev , Richards Ifie , Patel Dhrudeep , Patel Nirav , Thomas Melbin , Adamu Hephzibah , Delanois Ronald
Published: May 2017

Total knee arthroplasty (TKA) can be associated with substantial postoperative pain that may affect satisfaction and return to function. Various forms of pain control have been used; however, multimodal periarticular analgesia (MPA) and adductor canal block (ACB) have recently gained popularity. The purpose of this study was to compare (1) discharge status, (2) pain levels, (3) postoperative opioid consumption, and (4) length of stay (LOS) between TKA patients who received MPA only and those who received both MPA and ACB. A single surgeon database was reviewed for TKA patients who received MPA with or without ACB between January 2015 and April 2016. This yielded 110 patients who had a mean age of 62 years. Forty-five patients received MPA alone, while 65 patients received both modalities. Patient records were reviewed to obtain demographic and end-point data (discharge status, pain scores, opioid consumption, and LOS). Student's t-test and chi-squared test were used to compare continuous and categorical variables, respectively. There was no significant difference in discharge status (p = 0.304), pain levels (p = 0.343), and postoperative opioid consumption (p = 0.729) between the two cohorts. When compared with MPA patients, TKA patients who received both MPA and ACB demonstrated shorter LOS (2.44 vs. 1.98 days), a value that trended toward significance (p = 0.061). When comparing TKA patients who received MPA with those who received a combination of MPA and ACB, we were unable to elucidate a significant difference in any of the end points of interest. Therefore, MPA alone is comparable to combined MPA and ACB in managing postoperative pain in TKA patients. However, larger studies may be necessary to verify these findings.
Hypogastric Chimney Patency in Aortic Monoiliacal Endograft Thrombosis: A Life Saved by Collateral Pelvic Circulation
Authors: Santos Africa , Guaita Julia , Gandarias Claudio , Reyes Valdivia Andrés
Published: May 2017

Background To report a case of a high-risk patient treated with hypogastric chimney and aortic endograft for a native infrarenal aorta aneurysmal degeneration, 20 years after an aortobifemoral bypass procedure for severe iliac occlusive disease.

Methods A two-stage procedure was planned. The first stage was right internal iliac artery (IIA) embolization and simple angioplasty of left IIA. The second stage consisted of aortouniiliac endograft with femoral crossover and left IIA chimney.

Results Femoral crossover complicated with early thrombosis, but a decision on conservative medical treatment with anticoagulation was made based on no rest pain or severe claudication. After 3 months the patient presented with moderate claudication alone. Scheduled computed tomography scan showed femoral crossover graft and aortic endograft thrombosis with left IIA patency. The axillofemoral bypass was scheduled a week later, and the patient discharged home.

Conclusion Preservation of pelvic circulation is mandatory to avoid life-threatening complications. The chimney technique demonstrates good patency and should be considered in the endovascular approach armamentarium for hypogastric artery revascularization.
Plexiform Neurofibroma of Clitoris
Authors: Yesodharan Dhanya , Sudarsanan Bindu , Jojo Annie , Abraham Mohan , Bhavani Nisha , Mathews Hima , Nampoothiri Sheela
Published: May 2017

The most frequent genital presentation of neurofibromatosis in females is clitoromegaly. We report a case of a 5-year-old girl with neurofibromatosis type 1 with clitoral plexiform neurofibromatosis. Clitoroplasty was done, and the histopathology confirmed the diagnosis. Though rare, plexiform neurofibroma of clitoris should always be considered as a differential diagnosis in children with clitoromegaly before embarking on detailed investigations.
Preexisting Carpal and Carpometacarpal Osteoarthritis Has No Impact on Function after Distal Radius Fractures
Authors: Davies Jonah , Centomo Hugo , Leduc Stéphane , Beaumont Pierre , Laflamme G.-Yves , Rouleau Dominique
Published: May 2017

Background Functional outcomes of distal radius fractures vary widely regardless of treatment methods.

Purpose This study aims to verify whether preexisting carpal and carpometacarpal (CMC) osteoarthritis (OA) will negatively impact wrist functional outcome in patients with distal radius fractures.

Patients and Methods A retrospective case–control study was done using a prospective trauma database. Patients were matched 1:1 in two groups based on the presence of wrist or carpal arthritis (OA). The groups were matched for sex, follow-up, and treatment type. Patients were followed up for a minimum of 1 year and functional outcomes were assessed using validated scores.

Results A total of 61 patients were included. Mean age was 63 years (range: 20–85) and average follow-up was 26 months. There were 31 patients in the OA+ group and 30 in the OA− group. Forty-one patients were treated surgically and 20 nonoperatively. None of the patients in the OA− developed OA during follow-up. Both groups were comparable for sex, residual deformity, and follow-up. There was no significant difference for the visual analog scale, Short Form-12, Quick Disability Arm Shoulder Hand, and Patient-rated Wrist Evaluation, or for radiographic outcomes.

Conclusion Preexisting OA in the wrist or CMC does not seem to impact outcomes of distal radius fractures, regardless of treatment, age, or sex. Although this is a negative study, the results are important to help counsel patients with distal radius fractures. Further work must be done to identify other potential causes for negative outcomes.

Level of Evidence Level III, prognostic study.
Focused Arterial Anastomotic Assessment in a Novel Univariate Design of a Vertical Rectus Abdominis Muscle Flap in a Pig Model
Authors: Fischlin Claudia , Mbaidjol Zacharia , Olariu Radu , Constantinescu Mihai , Leckenby Jonathan
Published: May 2017

Background Microsurgical anastomosis is the basis for free tissue transfer. The goal of this study was to create an animal model that mimics free tissue transfer but would focus on the arterial anastomotic assessment alone, without additional bias of a venous anastomosis.

Methods A vertical rectus abdominis musculocutaneous (VRAM) flap based on the left deep superior epigastric artery (DSEA) was raised in six large white pigs. The right DSEA was raised and used as the donor vessel. An arterial end-to-end microsurgical anastomosis was then performed between the right and the left SEA artery. The lateral deep epigastric vein (DIEV) was left intact to drain the flap. Perfusion of the flap was confirmed clinically by laser Doppler and by flowmetry.

Results One flap failure was observed in this study that occurred on postoperative day (POD) 5 as a consequence of venous occlusion due to hematoma. There was a significant initial drop in arterial flow across the anastomosis in comparison to preanastomotic flow measurements (p < 0.05); however, this was normalized by the seventh POD (p > 0.05). Flow measurements in the vein significantly increased after the arterial anastomosis was completed and the seventh POD (p < 0.05). Laser Doppler assessment demonstrated adequate tissue perfusion of the skin island flap.

Conclusion This modified VRAM flap is a viable procedure to simulate a free flap transfer and assess the arterial anastomosis alone, while maintaining the flap's innate venous drainage. This method can allow the investigation of new arterial anastomosis techniques and devices.
Lysosomale Speichererkrankungen: Herausforderungen bei der sektorübergreifenden, multiprofessionellen Patientenversorgung mit Enzymersatztherapie
Authors: Das Anibh , Lagler Florian , Beck Michael , Scarpa Maurizio , Lampe Christina
Published: May 2017

Hintergrund Aufgrund ihrer Seltenheit sind Studien bei Orphan Diseases schwierig. Nur für wenige dieser Erkrankungen stehen kausale Therapien zur Verfügung. Die Entwicklung und Herstellung von Medikamenten wie bspw. Enzymersatztherapien (ERT) ist aufwändig, die Patientenzahl niedrig, was zu hohen Preisen führt. Am Beispiel einer Gruppe angeborener Stoffwechselerkrankungen, den lysosomalen Speichererkrankungen (LSDs), beleuchten wir die Herausforderungen bei der sektorübergreifenden Dauertherapie unter Zugrundelegung einer Literaturrecherche in Pubmed sowie eigener Erfahrungen. Viele ERTs haben ein positives Kosten-Nutzen Verhältnis. Mögliche Nebenwirkungen sind schwere allergische Reaktionen bis hin zur Anaphylaxie. ERT ist zu Lasten von GKV/PKV verschreibungsfähig, Regresse aufgrund Richtgrößenüberschreitung lassen sich mit „Praxisbesonderheiten“ umgehen. Die Verabreichung der intravenösen ERT ist weniger gut geregelt. Ein stationärer Aufenthalt zur ERT führt oft zu finanziellen Problemen (untere Grenzverweildauer), wenngleich dieser Verabreichungsmodus der sicherste ist. Ein tagesstationärer Aufenthalt ist am günstigsten, wobei bei dieser Option die Übernahme der Kosten für die ERT außerhalb der Tagesklinkpauschale durch GKV/PKV im Vorfeld zu klären ist. Eine ambulante Heimtherapie ist machbar, die Entscheidung hierfür muss für jeden Patienten sorgfältig individuell abgewogen werden. Die Durchführung der ERT wird vom behandelnden Arzt an ein Schwestern-/Pflegerteam delegiert, haftungs-, strafrechtliche sowie ethische Aspekte sind im Vorfeld zu klären. Die sektorübergreifende Therapie von LSDs ist mit (lösbaren) Herausforderungen behaftet.
Depression, rational identity and the educational imperative: concordance-finding in tricky diagnostic moments
Authors: Miller Paul K. , Richardson Beth H.
Published: May 2017

It is well-documented, within most medical and much health psychology, that many individuals find diagnoses of depression confusing or even objectionable. Within a corpus of research and practical clinical guidance dominated by the social-cognitive paradigm, the explanation for resistance to a depression diagnosis (or advice pertaining to it) within specific interactions is bordering on the canonical; patients misunderstand depression itself, often as an output of an associated social stigma that distorts public knowledge. The best way to overcome corollary resistance in situ is, logically thus, taken to be a clarification of the true (clinical) nature of depression. In this paper, exploring the diagnosis of depression in UK primary care contexts, the social-cognitive position embedded in contemporary medical reasoning around this matter is critically addressed. It is firstly highlighted how, even in a great deal of extant public health research, the link between an individual holding “correct” medical knowledge and being actively compliant with it is far from inevitable. Secondly, and with respect to concerns around direct communication in clinical contexts, a body of research emergent of Discursive Psychology and Conversation Analysis is explored so as to shed light on how non-cognitive concerns (not least those around the local interactional management of a patient’s social identity) that can inform the manner in which ostensibly “tricky” medical talk plays-out in practice, especially in cases where a mental illness is at stake. Finally, observations are drawn together in a formal Discursive Psychological analysis of a small but highly illustrative sample of three cases where a depression diagnosis is initially questioned or disputed by a patient in primary care but, following further in-consultation activity, concordance with the diagnosis is ultimately reached—a specific issue hitherto unaddressed in either DP or CA fields. These cases specifically reveal the coordinative attention of interlocutors to immediate concerns regarding how the patient might maintain a sense of being an everyday and rational witness to their own lives; indeed, the very act of challenging the diagnosis emerges as a means by which a patient can open up conversational space within the consultation to address such issues. While the veracity of the social-cognitive model is not deemed to be without foundation herein, it is concluded that attention to local interactional concerns might firstly be accorded, such that the practical social concerns and skills of practitioners and patients alike might not be overlooked in the endeavour to produce generally applicable theories.
Construction of a Sturm-Liouville vessel using Gelfand-Levitan theory. On solution of the Korteweg-de Vries equation in the first quadrant
Authors: Melnikov Andrey
Published: May 2017

To study Korteweg-de Vries (KdV) equation, whose solution is based on the evolution of the Sturm-Liouville (SL) operator, we have recently developed scattering theory of the SL operator for an arbitrary analytic potential on the line. Here, we create a basis for solutions of the KdV of a different class, considering continuously differentiable potentials using the Gelfand-Levitan theory on the half line. The solution of the spectral problem for this operator is achieved by constructing a special object, invented by Livšic in the late 1970s, and called vessel. The central object of a vessel is a compact perturbation of a self-adjoint operator for which we develop a canonical form. Evolving the constructed vessel, we solve the KdV equation on the half line, coinciding with the given potential for t = 0. It is also shown that the initial value on the t-axis, or equivalently for x = 0, is prescribed by the choice of the spectral parameters, but can be perturbed using an “orthogonal” to the problem measure. The results, presented in this work, are following: (1) We address the KdV equation with initial values, satisfying Gelfand-Levitan theory assumptions, providing a detailed formula of the initial conditions for the x = 0, (2) we show that Nonlinear Shrodinger, canonical systems, and many more equations can be solved using theory of vessels, analogously to the Zacharov-Shabbath scheme, (3) we present a generalized inverse scattering theory on a line for potentials with singularities using prevessels, and (4) we present the tau function and its role in the solution of the problem.
Many-body dissipative particle dynamics modeling of fluid flow in fine-grained nanoporous shales
Authors: Xia Yidong , Goral Jan , Huang Hai , Miskovic Ilija , Meakin Paul , Deo Milind
Published: May 2017

A many-body dissipative particle dynamics model, namely, MDPD, is applied for simulation of pore-scale, multi-component, multi-phase fluid flows in fine-grained, nanoporous shales. Since this model is able to simultaneously capture the discrete features of fluid molecules in nanometer size pores and continuum fluid dynamics in larger pores, and is relatively easy to parameterize, it has been recognized as being particularly suitable for simulating complex fluid flow in multi-length-scale nanopore networks of shales. A remarkable feature of this work is the integration of a high-resolution FIB-SEM (focused ion beam scanning electron microscopy) digital imaging technique to the MDPD model for providing 3D voxel data that contain the invaluable geometrical and compositional information of shale samples. This is the first time that FIB-SEM is seamlessly linked to a Lagrangian model like MDPD for fluid flow simulation, which offers a robust approach to bridging gaps between the molecular- and continuum-scales, since the relevant spatial and temporal scales are too big for molecular dynamics, and too small for computational fluid dynamics with known constitutive models. Simulations ranging from a number of benchmark problems to a forced two-fluid flow in a Woodford shale sample are presented. Results indicate that this model can be used to deliver reasonable simulations for multi-component, multi-phase fluid flows in arbitrarily complex pore networks in shales.
Grafted polymer chains suppress nanoparticle diffusion in athermal polymer melts
Authors: Lin Chia-Chun , Griffin Philip J. , Chao Huikuan , Hore Michael J. A. , Ohno Kohji , Clarke Nigel , Riggleman Robert A. , Winey Karen I. , Composto Russell J.
Published: May 2017

We measure the center-of-mass diffusion of poly(methyl methacrylate) (PMMA)-grafted nanoparticles (NPs) in unentangled to slightly entangled PMMA melts using Rutherford backscattering spectrometry. These grafted NPs diffuse ∼100 times slower than predicted by the Stokes-Einstein relation assuming a viscosity equal to bulk PMMA and a hydrodynamic NP size equal to the NP core diameter, 2Rcore = 4.3 nm. This slow NP diffusion is consistent with an increased effective NP size, 2Reff ≈ 20 nm, nominally independent of the range of grafting density and matrix molecular weights explored in this study. Comparing these experimental results to a modified Daoud-Cotton scaling estimate for the brush thickness as well as dynamic mean field simulations of polymer-grafted NPs in athermal polymer melts, we find that 2Reff is in quantitative agreement with the size of the NP core plus the extended grafted chains. Our results suggest that grafted polymer chains of moderate molecular weight and grafting density may alter the NP diffusion mechanism in polymer melts, primarily by increasing the NP effective size.
Space-charge-limited current in nanowires
Authors: Alagha S. , Shik A. , Ruda H. E. , Saveliev I. , Kavanagh K. L. , Watkins S. P.
Published: May 2017

Space-charge-limited current is often observed in semiconductor nanowires due to carrier depletion and reduced electrostatic screening. We present a numerical study on geometric scaling of the space-charge-limited current in nanowires, in comparison with the thin film and bulk geometries, using an n+-n-n+-model. The model highlights the effects of the surroundings for thin films and nanowires and shows that the dielectric properties of the semiconductor have a negligible effect on the space-charge-limited transport for small dimensions. The distribution of equilibrium and injected charge concentration vary as the semiconductor dimensionality is reduced. For low doping, the ohmic current is controlled by charge diffusion from degenerate contacts rather than by the nanowire impurity concentration. The results of numerical calculations agree with a simple capacitance formalism which assumes a uniform charge distribution along the nanowire, and experimental measurements for InAs nanowires confirm these results. The numerical model also predicts that an asymmetric nanowire contact geometry can enhance or limit charge injection.
Ion distribution and selectivity of ionic liquids in microporous electrodes
Authors: Neal Justin N. , Wesolowski David J. , Henderson Douglas , Wu Jianzhong
Published: May 2017

The energy density of an electric double layer capacitor, also known as supercapacitor, depends on ion distributions in the micropores of its electrodes. Herein we study ion selectivity and partitioning of symmetric, asymmetric, and mixed ionic liquids among different pores using the classical density functional theory. We find that a charged micropore in contact with mixed ions of the same valence is always selective to the smaller ions, and the ion selectivity, which is strongest when the pore size is comparable to the ion diameters, drastically falls as the pore size increases. The partitioning behavior in ionic liquids is fundamentally different from those corresponding to ion distributions in aqueous systems whereby the ion selectivity is dominated by the surface energy and entropic effects insensitive to the degree of confinement.
The photodissociation of N,N-dimethylnitrosamine at 355 nm: The effect of excited-state conformational changes on product vector correlations
Authors: Hossain Masroor , Klobuchar Aidan J. , Bartz Jeffrey A.
Published: May 2017

In a photodissociation experiment, the dynamics associated with creating reaction products with specific energies can be understood by a study of the product vector correlations. Upon excitation to the S1 state, N,N-dimethylnitrosamine (DMN) undergoes an excited-state geometry change from planar to pyramidal around the central N. The significant geometry change affects the vector correlations in the photoproducts. Using polarized lasers for 355 nm photodissociation of DMN and for NO photoproduct excitation in a velocity-mapped ion imaging apparatus reveals new vector correlation details among the parent transition dipole (μ), photofragment velocity (v), and photofragment angular momentum (j). The dissociation of DMN displays some μ-v correlation [β02(20)=−0.2], little μ-j correlation [β02(02)∼0], and, surprisingly, a v-j [β00(22)] correlation that depends on the NO lambda doublet probed. The results point to the importance of the initial excited-state conformational change and uncover the presence of two photolysis channels.
Pure and conformal CVD nickel and nickel monosilicide in high-aspect-ratio structures analyzed by atom probe tomography
Authors: Li Kecheng , Feng Jun , Kwak Junkeun , Yang Jing , Gordon Roy G.
Published: May 2017

Low-resistance and uniform contacts are needed for modern 3-D silicon transistors. The formation of high-quality and conformal nickel silicide at the interface between silicon and metal contacts is a possible solution. Direct-liquid-evaporation chemical vapor deposition is used to deposit nickel films conformally inside narrow silicon trenches. The deposited Ni is then reacted with a silicon substrate to form nickel monosilicide. Atom probe tomography (APT) is used to find and count the atoms in nanoscale regions inside these 3-D structures. APT shows that these NiSi films are stoichiometrically pure, single-phase, and conformal even inside trenches with high aspect ratios. The APT technique measures all impurities, including carbon, nitrogen, and oxygen, to have concentrations less than 0.1 at. %.
Construction of rational solutions of the real modified Korteweg-de Vries equation from its periodic solutions
Authors: Xing Qiuxia , Wang Lihong , Mihalache Dumitru , Porsezian Kuppuswamy , He Jingsong
Published: May 2017

In this paper, we consider the real modified Korteweg-de Vries (mKdV) equation and construct a special kind of breather solution, which can be obtained by taking the limit λj → λ1 of the Lax pair eigenvalues used in the n-fold Darboux transformation that generates the order-n periodic solution from a constant seed solution. Further, this special kind of breather solution of order n can be used to generate the order-n rational solution by taking the limit λ1 → λ0, where λ0 is a special eigenvalue associated with the eigenfunction ϕ of the Lax pair of the mKdV equation. This eigenvalue λ0, for which ϕ(λ0)=0, corresponds to the limit of infinite period of the periodic solution. Our analytical and numerical results show the effective mechanism of generation of higher-order rational solutions of the mKdV equation from the double eigenvalue degeneration process of multi-periodic solutions.
Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten
Authors: Xu Shuozhi , Startt Jacob K. , Payne Thomas G. , Deo Chaitanya S. , McDowell David L.
Published: May 2017

Compared with face-centered cubic metals, twinned nanopillars in body-centered cubic (BCC) systems are much less explored partly due to the more complicated plastic deformation behavior and a lack of reliable interatomic potentials for the latter. In this paper, the fault energies predicted by two semi-empirical interatomic potentials in BCC tungsten (W) are first benchmarked against density functional theory calculations. Then, the more accurate potential is employed in large scale molecular dynamics simulations of tensile and compressive loading of twinned nanopillars in BCC W with different cross sectional shapes and sizes. A single crystal, a twinned crystal, and single crystalline nanopillars are also studied as references. Analyses of the stress-strain response and defect nucleation reveal a strong tension-compression asymmetry and a weak pillar size dependence in the yield strength. Under both tensile and compressive loading, plastic deformation in the twinned nanopillars is dominated by dislocation slip on {110} planes that are nucleated from the intersections between the twin boundary and the pillar surface. It is also found that the cross sectional shape of nanopillars affects the strength and the initial site of defect nucleation but not the overall stress-strain response and plastic deformation behavior.
A microscopic refrigeration process triggered through spin-crossover mechanism
Authors: von Ranke P. J.
Published: May 2017

We report the giant barocaloric effect determined in a spin-crossover system using a microscopic model. Compared with the widely used gas compression-expansion refrigeration technology, field induced refrigeration in solid materials reduces environmental damages and improves the energy efficiency. The origin of the giant effect was ascribed to the entropic phonon contribution arising from low spin to high spin phase transition, induced by a pressure change. Here, we show that for the applied pressure variation from 1 bar to 4.1 kbar, the isothermal entropy change (ΔST) in a one-dimensional spin crossover system [Fe(hyptrz)3](4-chlorophenylsulfonate)2H2O achieves a maximum value of 55.8 J mol−1 K−1 at 191 K, leading to a huge refrigerant capacity of 2160 J mol−1. Our results were compared with the results of other giant solid refrigerant materials such as (NH4)2SO4, Gd5Si2Ge2, and Gd5[Si0.43Ge0.57]4.
Electron mobility in polarization-doped Al0-0.2GaN with a low concentration near 1017 cm−3
Authors: Zhu Mingda , Qi Meng , Nomoto Kazuki , Hu Zongyang , Song Bo , Pan Ming , Gao Xiang , Jena Debdeep , Xing Huili Grace
Published: May 2017

In this letter, carrier transport in graded AlxGa1-xN with a polarization-induced n-type doping as low as ∼1017 cm−3 is reported. The graded AlxGa1-xN is grown by metal organic chemical vapor deposition on a sapphire substrate, and a uniform n-type doping without any intentional doping is realized by linearly varying the Al composition from 0% to 20% over a thickness of 600 nm. A compensating center concentration of ∼1017 cm−3 was also estimated. A peak mobility of 900 cm2/V·s at room temperature is extracted at an Al composition of ∼7%, which represents the highest mobility achieved in n-Al0.07GaN with a carrier concentration of ∼1017 cm−3. A comparison between experimental data and theoretical models shows that, at this low doping concentration, both dislocation scattering and alloy scattering are significant in limiting electron mobility and that a dislocation density of <107 cm−2 is necessary to optimize mobility near 1016 cm−3. The findings in this study provide insights into key elements for achieving high mobility at low doping levels in GaN, a critical parameter in the design of novel power electronics taking advantage of polarization doping.
Effect of interfacial charge relaxation on conducting behavior of ZnO varistors under time varying electric fields
Authors: Yang Xiao , Hu Jun , He Jinliang
Published: May 2017

The conducting mechanism of ZnO varistors under the steady state has been well documented, but the corresponding time-dependent property was rarely studied. In this work, we proposed a physical model for analyzing the conducting behavior of a single ZnO grain boundary under pure ac fields. The established model mainly deals with the time-delay effect of the interfacial charge and its influence on the barrier height as well as the conducting process, which leads to a phase shift of the conduction current in advance of the applied voltage and an enhancement of the effective capacitance. To validate the model, the nonlinear conducting characteristics of ZnO varistors under pure ac fields were measured and the result agreed well with the model.