bluuebunny/crossref_metadata_2025 huggingface dataset:
The genetic diversity within the 1.4 kb HLA-G 5′ upstream regulatory region moderately impacts on cellular microenvironment responses
Authors: Dias Fabrício C. , Bertol Bruna C. , Poras Isabelle , Souto Bruno M. , Mendes-Junior Celso T. , Castelli Erick C. , Gineau Laure , Sabbagh Audrey , Rouas-Freiss Nathalie , Carosella Edgardo D. , Donadi Eduardo A. , Moreau Philippe
Published: March 2018

The HLA-G 5’URR extending 1.4 kb from the ATG presents a unique set of regulatory elements among HLA genes. Several variable sites have been described that coincide with or are close to these elements, thus HLA-G 5′URR polymorphism might influence the HLA-G expression level. We cloned the ten most frequent HLA-G 5′URR haplotypes to evaluate their activity on a luciferase reporter gene in HLA-G+ cell lines (JEG-3/choriocarcinoma and FON+/melanoma). We also investigated associations between the plasma HLA-G (sHLA-G) levels and the HLA-G 5′URR variability in 157 healthy individuals. Cell lines were transfected with pGL3-Basic vector constructions containing HLA-G 5′URR sequences. The G010101a (in JEG-3) and G010101b (in FON+) haplotypes exhibited higher promoter activity, whereas the G010101d (in JEG-3) and G010102a (in FON+) haplotypes exhibited lower promoter activity. In the presence of HLA-G inducers (interferon-β and progesterone) or repressors (cyclopamine) HLA-G promoter activity was modulated, but certain haplotypes exhibited differential responses. No strict association was observed between plasma sHLA-G levels and the 5′URR haplotypes or genotypes; however, the G010101b haplotype was underrepresented among HLA-G-negative plasmas. Therefore, the HLA-G 5′URR polymorphism may have an impact on the modulation of HLA-G gene expression, but alone provides a limited predictive value for sHLA-G levels in vivo.
Development of a characterised tool kit for the interrogation of NLRP3 inflammasome-dependent responses
Authors: Redondo-Castro Elena , Faust Dorte , Fox Simon , Baldwin Alex G. , Osborne Simon , Haley Michael J. , Karran Eric , Nuthall Hugh , Atkinson Peter J. , Dawson Lee A. , Routledge Carol , Allan Stuart M. , Freeman Sally , Brownlees Janet , Brough David
Published: March 2018

Inflammation is an established contributor to disease and the NLRP3 inflammasome is emerging as a potential therapeutic target. A number of small molecule inhibitors of the NLRP3 pathway have been described. Here we analysed the most promising of these inhibitor classes side by side to assess relative potency and selectivity for their respective putative targets. Assessed using ASC inflammasome-speck formation, and release of IL-1β, in both human monocyte/macrophage THP1 cells and in primary mouse microglia, we compared the relative potency and selectivity of P2X7 inhibitors, inflammasome inhibitors (diarylsulfonylurea vs. the NBC series), and caspase-1 inhibitors. In doing so we are now able to provide a well characterised small molecule tool kit for interrogating and validating inflammasome-dependent responses with a range of nanomolar potency inhibitors against established points in the inflammasome pathway.
Chronic toxicity of amitraz, coumaphos and fluvalinate to Apis mellifera L. larvae reared in vitro
Authors: Dai Pingli , Jack Cameron J. , Mortensen Ashley N. , Bustamante Tomas A. , Ellis James D.
Published: March 2018

The effects of chronic exposure to common acaricides on Apis mellifera survival, developmental rate and larval weight were tested in the laboratory. Larvae were reared in vitro and fed a diet containing amitraz: 1.5, 11, 25 and 46 mg/L; coumaphos: 1.8, 6, 8 and 25 mg/L; or fluvalinate: 0.1, 1, 2.4 and 6 mg/L. The dependent variables were compared for groups feeding on treated diets and control diets: positive control, 45 mg/L dimethoate; solvent control; and negative control. Bee survival decreased in the 46 mg/L amitraz and 25 mg/L coumaphos treatments but not in any fluvalinate treatment. Furthermore, the developmental rate decreased in individuals treated with 46 mg/L amitraz. In our study, larvae exposed to acaricides at concentrations similar to maximum residue in pollen and honey/nectar had no detectable change in survival or developmental rate. Given that pollen and honey/nectar represent only a small part of larval diet, we suggest that residues of amitraz, coumaphos and fluvalinate at the levels we tested are unlikely to impact immature worker bee survival in the field, though our data do not preclude any sublethal effects that may result from bee exposure to these compounds or possible synergisms when they co-occur in bee colonies.
Characterizing the clinical relevance of digital phenotyping data quality with applications to a cohort with schizophrenia
Authors: Torous John , Staples Patrick , Barnett Ian , Sandoval Luis R. , Keshavan Matcheri , Onnela Jukka-Pekka
Published: March 2018

Digital phenotyping, or the moment-by-moment quantification of the individual-level human phenotype in situ using data from personal digital devices and smartphones, in particular, holds great potential for behavioral monitoring of patients. However, realizing the potential of digital phenotyping requires understanding of the smartphone as a scientific data collection tool. In this pilot study, we detail a procedure for estimating data quality for phone sensor samples and model the relationship between data quality and future symptom-related survey responses in a cohort with schizophrenia. We find that measures of empirical coverage of collected accelerometer and GPS data, as well as survey timing and survey completion metrics, are significantly associated with future survey scores for a variety of symptom domains. We also find evidence that specific measures of data quality are indicative of domain-specific future survey outcomes. These results suggest that for smartphone-based digital phenotyping, metadata is not independent of patient-reported survey scores, and is therefore potentially useful in predicting future clinical outcomes. This work raises important questions and considerations for future studies; we explore and discuss some of these implications.
Thermal decomposition of FC(O)OCH3 and FC(O)OCH2CH3
Authors: Berasategui M. , Argüello G. A. , Burgos Paci M. A.
Published: March 2018

Ground state decomposition of FC(O)OCH3 (unimolecular vs. bimolecular TS) and FC(O)OCH2CH3 (four center vs. six center TS).
Antimicrobial action of the cationic peptide, chrysophsin-3: a coarse-grained molecular dynamics study
Authors: Catte Andrea , Wilson Mark R. , Walker Martin , Oganesyan Vasily S.
Published: March 2018

Antimicrobial action of a cationic peptide is modelled by large scale MD simulations.
A homogeneous electrochemical sensor for Hg2+ determination in environmental water based on the T–Hg2+–T structure and exonuclease III-assisted recycling amplification
Authors: Fu Caili , Yu Hao , Su Lingshan , Liu Chang , Song Yanling , Wang Shaoyun , Lin Zhenyu , Chen Fang
Published: March 2018

A simple, fast, sensitive, and homogeneous electrochemical sensor based on the T–Hg2+–T structure and exonuclease III-assisted recycling amplification has been constructed for mercury ion (Hg2+) detection.
Measuring the size and density of nanoparticles by centrifugal sedimentation and flotation
Authors: Minelli Caterina , Sikora Aneta , Garcia-Diez Raul , Sparnacci Katia , Gollwitzer Christian , Krumrey Michael , Shard Alex G.
Published: March 2018

Analytical centrifugation in sedimentation and flotation modes is used to measure both the size and density of polystyrene nanoparticles.
Brønsted base-catalyzed annulation of allyl ketones and alkynyl 1,2-diketones
Authors: Kong Xiangwen , Song Jinshuai , Liu Jian , Meng Miao , Yang Shuang , Zeng Min , Zhan Xinyue , Li Chunsen , Fang Xinqiang
Published: March 2018

The Cs2CO3-catalyzed reaction of allyl ketones and alkynyl 1,2-diketones affords a series of 2-acyloxycyclopent-3-enones under mild conditions. A unique α-selective addition/aldol reaction/C–C bond cleavage mechanism was proposed and supported by DFT calculations.
Conformational control over an aldehyde fragment by selective vibrational excitation of interchangeable remote antennas
Authors: Lopes Jesus A. J. , M. Nunes Cláudio , Fausto Rui , Reva Igor
Published: March 2018

We apply vibrational antennas (OH or NH2 group) to achieve unprecedented conformational control over the heavy aldehyde fragment in 2-formyl-2H-azirine, using selective vibrational excitations of the OH or NH2 stretching overtones and combination modes.
Tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-based CDK inhibitor
Authors: Opoku-Temeng Clement , Dayal Neetu , Hernandez Delmis E. , Naganna N. , Sintim Herman O.
Published: March 2018

Cyclin-dependent kinases have emerged as important targets for cancer therapy.
Metallophthalocyanine-based redox active metal–organic conjugated microporous polymers for OER catalysis
Authors: Singh Ashish , Roy Syamantak , Das Chayanika , Samanta Debabrata , Maji Tapas Kumar
Published: March 2018

Two donor–acceptor redox-active metal–organic conjugated porous polymers (CoCMP and ZnCMP) have been synthesized and CoCMP has been found to be an efficient catalyst for water oxidation.
Ball-free mechanochemistry: in situ real-time monitoring of pharmaceutical co-crystal formation by resonant acoustic mixing
Authors: Michalchuk Adam A. L. , Hope Karl S. , Kennedy Stuart R. , Blanco Maria V. , Boldyreva Elena V. , Pulham Colin R.
Published: March 2018

Co-crystal formation by resonant acoustic mixing was followed for the first time by in situ real-time X-ray powder diffraction.
Radiolytic formation of the carbon dioxide radical anion in acetonitrile revealed by transient IR spectroscopy
Authors: Grills David C. , Lymar Sergei V.
Published: March 2018

First IR detection of CO2˙− in acetonitrile, produced by radiation-induced CO2 reduction and oxidation of formate.
Monitoring the chemical and electronic properties of electrolyte–electrode interfaces in all-solid-state batteries usingoperandoX-ray photoelectron spectroscopy
Authors: Wu Xiaohan , Villevieille Claire , Novák Petr , El Kazzi Mario
Published: March 2018

OperandoXPS measurement elucidating in real-time interfacial phenomena in all-solid-state batteries.
Nitroxide–nitroxide and nitroxide–metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities
Authors: Giannoulis A. , Ackermann K. , Spindler P. E. , Higgins C. , Cordes D. B. , Slawin A. M. Z. , Prisner T. F. , Bode B. E.
Published: March 2018

Broadband and highly resolved EPR distance measurements reveal multimers and their kinetic stabilities.
Crystal structure prediction is changing from basic science to applied technology
Authors: Nyman Jonas , Reutzel-Edens Susan M.
Published: March 2018

Prediction of true polymorphs as dynamic ensembles in contrast to hypothetical static crystal structures.
Water-borne coatings that share the mechanism of action of oil-based coatings
Authors: Ho Jaddie , Mudraboyina Bhanu , Spence-Elder Caroline , Resendes Rui , Cunningham Michael F. , Jessop Philip G.
Published: March 2018

A new coating performs like an oil-based paint, with fully dissolved polymer, but uses water as a solvent.
Nano X-ray diffractometry device for nanofluidics
Authors: Mawatari Kazuma , Koreeda Hiroki , Ohara Koji , Kohara Shinji , Yoshida Koji , Yamaguchi Toshio , Kitamori Takehiko
Published: March 2018

Nanofluidics is gaining attention because it has unique liquid and fluidic properties that are not observed in microfluidics.
Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt
Authors: Holub Josef , Růžičková Zdeňka , Hobza Pavel , Fanfrlík Jindřich , Hnyk Drahomír , Růžička Aleš
Published: March 2018

We have synthesized and crystalized 3-Cl-10-I-nido-7,8,9,11-P2C2B7H7. Quantum chemical calculations have demonstrated that the obtained crystal structure is stabilized by hydrogen, dihydrogen and pnictogen bonds.
Porous CuO nanofibers derived from a Cu-based coordination polymer as a photocatalyst for the degradation of rhodamine B
Authors: Zeng Qing-Xia , Xu Guan-Cheng , Zhang Li , Lin He , Lv Yan , Jia Dian-Zeng
Published: March 2018

Porous CuO nanofibers were synthesized via thermolysis of a Cu-based coordination polymer (Cu-Asp) and exhibit excellent photocatalytic activity towards RhB.
Bio-inspired graphene-derived membranes with strain-controlled interlayer spacing
Authors: Gao Enlai , Xu Zhiping
Published: March 2018

Tensile strain tunes the interlayer spacing of graphene-derived membranes for selective mass transport.
MoS2 nano flakes with self-adaptive contacts for efficient thermoelectric energy harvesting
Authors: Wu Qingqing , Sadeghi Hatef , Lambert Colin J.
Published: March 2018

We examine the potential of the low-dimensional material MoS2 for the efficient conversion of waste heat to electricity via the Seebeck effect.
Design and synthesis of novel monoterpenoid indole alkaloid-like analogues and their antitumour activities in vitro
Authors: Fang Jiaqi , Huang Tao , Xia Mengyuan , Deng Lulu , Hao Xiaojiang , Wang Yuehu , Mu Shuzhen
Published: March 2018

34 novel monoterpenoid indole alkaloid analogues were synthesized based on combinatorial chemistry strategy. Compound 18 was found to be the most promising antitumour lead compound.
Rational design of fluorescent probe for Hg2+ by changing the chemical bond type
Authors: Cui Tengli , Yu Shengzhen , Chen Zejing , Liao Rui , Zhang Xinglin , Zhao Qiang , Sun Huibin , Huang Wei
Published: March 2018

Two kinds of fluorescent probes for Hg2+ with different detection mechanism have been realized by simply changing the chemical bond.
The investigation of in situ removal of Si substrates for freestanding GaN crystals by HVPE
Authors: Lee Moonsang , Mikulik Dmitry , Park Sungsoo
Published: March 2018

We investigate the etching of a Si substrate in the fabrication process of freestanding GaN crystal grown using in situ removal of the substrate by HVPE.
Amine-functionalized MIL-53(Al) with embedded ruthenium nanoparticles as a highly efficient catalyst for the hydrolytic dehydrogenation of ammonia borane
Authors: Zhang Shuren , Zhou Liqun , Chen Menghuan
Published: March 2018

The performance of Ru-based catalyst for hydrolysis of AB can be significantly enhanced through amine-functionalization of the MOF material.
Guiding 3D cell migration in deformed synthetic hydrogel microstructures
Authors: Dietrich Miriam , Le Roy Hugo , Brückner David B. , Engelke Hanna , Zantl Roman , Rädler Joachim O. , Broedersz Chase P.
Published: March 2018

In this study we combine experiments and theoretical modelling to analyse the anisotropic migration response of cells to external strain.
Independently tuning the power factor and thermal conductivity of SnSe via Ag2S addition and nanostructuring
Authors: Zhu Yuanhu , Carrete Jesús , Meng Qing-Long , Huang Zhiwei , Mingo Natalio , Jiang Peng , Bao Xinhe
Published: March 2018

Through Ag2S addition and nanostructuring, the ZT of polycrystalline SnSe is enhanced up to 1.13 at 773 K.
Synergism of molybdenum nitride and palladium for high-efficiency formic acid electrooxidation
Authors: Yan Haijing , Jiao Yanqing , Wu Aiping , Tian Chungui , Wang Lei , Zhang Xiaomeng , Fu Honggang
Published: March 2018

In this paper, a coupled Mo2N–Pd structure with intimate contact and strong interaction located on reduced graphene oxide (Pd–Mo2N/rGO) was successfully designed for high-efficiency formic acid oxidation. The Pd–Mo2N/rGO catalyst shows superior activity to Pd/rGO and Pd/VC, respectively. In addition, Pd–Mo2N/rGO exhibits enhanced CO tolerance and good stability.
Intersectin goes nuclear: secret life of an endocytic protein
Authors: Alvisi Gualtiero , Paolini Lucia , Contarini Andrea , Zambarda Chiara , Di Antonio Veronica , Colosini Antonella , Mercandelli Nicole , Timmoneri Martina , Palù Giorgio , Caimi Luigi , Ricotta Doris , Radeghieri Annalisa
Published: March 2018

Intersectin 1-short (ITSN1-s) is a 1220 amino acid ubiquitously expressed scaffold protein presenting a multidomain structure that allows to spatiotemporally regulate the functional interaction of a plethora of proteins. Besides its well-established role in endocytosis, ITSN1-s is involved in the regulation of cell signaling and is implicated in tumorigenesis processes, although the signaling pathways involved are still poorly understood. Here, we identify ITSN1-s as a nucleocytoplasmic trafficking protein. We show that, by binding to importin (IMP)α, a small fraction of ITSN1-s localizes in the cell nucleus at the steady state, where it preferentially associates with the nuclear envelope and interacts with lamin A/C. However, upon pharmacological ablation of chromosome region maintenance 1 (CRM-1)-dependent nuclear export pathway, the protein accumulates into the nucleus, thus revealing its moonlighting nature. Analysis of deletion mutants revealed that the coiled coil (CC) and Src homology (SH3) regions play the major role in its nucleocytoplasmic shuttling. While no evidence of nuclear localization signal (NLS) was detected in the CC region, a functional bipartite NLS was identified within the SH3D region of ITSN1-s (RKKNPGGWWEGELQARGKKRQIGW-1127), capable of conferring energy-dependent nuclear accumulation to reporter proteins and whose mutational ablation affects nuclear import of the whole SH3 region. Thus, ITSN1-s is an endocytic protein, which shuttles between the nucleus and the cytoplasm in a CRM-1- and IMPα-dependent fashion.
Programmed cell death in yeast by thionin-like peptide from Capsicum annuum fruits involving activation of caspases and extracellular H+ flux
Authors: Taveira Gabriel B. , Mello Érica O. , Souza Sávio B. , Monteiro Renan M. , Ramos Alessandro C. , Carvalho André O. , Rodrigues Rosana , Okorokov Lev A. , Gomes Valdirene M.
Published: March 2018

CaThi is a thionin-like peptide isolated from fruits of Capsicum annuum, which has strong antimicrobial activity against bacteria, yeasts and filamentous fungi, and induced reactive oxygen species (ROS) in fungi. ROS are molecules that appear in the early stages of programmed cell death or apoptosis in fungi. Due to this fact, in this work we analyzed some events that may be related to process of apoptosis on yeast induced by CaThi. To investigate this possibility, we evaluated phosphatidylserine (PS) externalization, presence of active caspases and the ability of CaThi to bind to DNA in Candida tropicalis cells. Additionally, we investigated mitochondrial membrane potential, cell surface pH, and extracellular H+ fluxes in C. tropicalis cells after treatment with CaThi. Our results showed that CaThi induced PS externalization in the outer leaflet of the cell membrane, activation of caspases, and it had the ability for DNA binding and to dissipate mitochondrial membrane potential. In addition, the cell surface pH increased significantly when the C. tropicalis cells were exposed to CaThi which corroborates with ~96% inhibition on extracellular H+ efflux. Taking together, these data suggest that this peptide is capable of promoting an imbalance in pH homeostasis during yeast cell death playing a modulatory role in the H+ transport systems. In conclusion, our results strongly indicated that CaThi triggers apoptosis in C. tropicalis cells, involving a pH signaling mechanism.
28 GHz common‐leg T/R IC in 65 nm CMOS technology
Authors: Kim J. , Park J. , Kim J.‐G.
Published: March 2018

A 28 GHz T/R integrated circuit (IC) using common‐leg circuit in 65 nm CMOS technology is presented. The proposed common‐leg T/R IC is composed of single pole double throw (SPDT) and double pole double throw (DBDT) switches, 5‐bit phase shifter, and 5‐bit attenuator, uni‐directional amplifiers for the transmit and receive modes. The measured gains for the transmit and receive modes are 3.5 and 1 dB at 26–30 GHz, respectively. The design provides full phase control range of 360° with least significant bit (LSB) of 11.25°, and attenuation control range of 23 dB with LSB of 1 dB. The proposed common‐leg T/R IC has the maximum RMS phase error of 7°, and amplitude error of 0.6 dB at 26–30 GHz. The saturated output power for the transmit mode is 0 dBm, and the input P1dB for the receive mode is −20 dBm at 28 GHz. The chip core size is 1.3 × 0.8 mm2. The DC current is 130 mA for the transmit mode and 98 mA for the receive mode at 2.5 V supply voltage.
Correlator‐based multipath detection technique for a global positioning system/GNSS receiver
Authors: Amani Elie , Djouani Karim , De Boer Jean‐Rémi , Kurien Anish , Vigneau Willy
Published: March 2018

Multipath (MP) is one of the main sources of errors in obtaining precise positioning using global navigation satellite systems (GNSSs) and continues to be extensively studied. In this study, a fast Fourier transform‐based MP detection technique is proposed. The detector is formulated as a binary hypothesis test under the assumption that the MP exists for a sufficient time frame that allows its detection. The detection is based on the quadrature arm of the early‐minus‐late correlator output (QEmL) for a scalar tracking loop or on the quadrature (QEmL) and/or in‐phase arm (IEmL) for a vector tracking loop, using an observation window of N samples. Performance analysis of the proposed detector is done on multiple‐ray (up to around 50) MP signals acquired from the MP environment simulator developed by the German Aerospace Centre (DLR in German). Both scalar and vector tracking schemes are used. The application of the detection test to exclusion of MP contaminated satellites from the navigation solution calculation significantly improves positioning accuracy as well as vector tracking performance. This detection technique can be extended to other GNSSs such as GLONASS, Galileo, and Compass with minor adjustments.
The feedback of an HC HII region on its parental molecular core
Authors: Moscadelli L. , Rivilla V. M. , Cesaroni R. , Beltrán M. T. , Sánchez-Monge Á , Schilke P. , Mottram J. C. , Ahmadi A. , Allen V. , Beuther H. , Csengeri T. , Etoka S. , Galli D. , Goddi C. , Johnston K. G. , Klaassen P. D. , Kuiper R. , Kumar M. S. N. , Maud L. T. , Möller T. , Peters T. , Van der Tak F. , Vig S.
Published: March 2018

Context. G24.78+0.08 is a well known high-mass star-forming region, where several molecular cores harboring OB young stellar objects are found inside a clump of size ≈1 pc. This article focuses on the most prominent of these cores, A1, where an intense hypercompact (HC) HII region has been discovered by previous observations.

Aims. Our aim is to determine the physical conditions and the kinematics of core A1, and study the interaction of the HII region with the parental molecular core.

Methods. We combine ALMA 1.4 mm high-angular resolution (≈0.′′2) observations of continuum and line emission with multi-epoch Very Long Baseline Interferometry data of water 22 GHz and methanol 6.7 GHz masers. These observations allow us to study the gas kinematics on linear scales from 10 to 104 au, and to accurately map the physical conditions of the gas over core A1.

Results. The 1.4 mm continuum is dominated by free-free emission from the intense HC HII region (size ≈1000 au) observed to the North of core A1 (region A1N). Analyzing the H30α line, we reveal a fast bipolar flow in the ionized gas, covering a range of LSR velocities (VLSR) of ≈60 km s−1. The amplitude of the VLSR gradient, 22 km s−1 mpc−1, is one of the highest so far observed towards HC HII regions. Water and methanol masers are distributed around the HC HII region in A1N, and the maser three-dimensional (3D) velocities clearly indicate that the ionized gas is expanding at high speed (≥200 km s−1) into the surrounding molecular gas. The temperature distribution (in the range 100–400 K) over core A1, traced with molecular (CH3OCHO, 13CH3CN, 13CH3OH, and CH3CH2CN) transitions with level energy in the range 30 K ≤ Eu/k ≤ 300 K, reflects the distribution of shocks produced by the fast-expansion of the ionized gas of the HII region. The high-energy (550 K ≤ Eu/k ≤ 800 K) transitions of vibrationally excited CH3CN are likely radiatively pumped, and their rotational temperature can significantly differ from the kinetic temperature of the gas. Over core A1, the VLSR maps from both the 1.4 mm molecular lines and the 6.7 GHz methanol masers consistently show a VLSR gradient (amplitude ≈0.3 km s−1 mpc−1) directed approximately S–N. Rather than gravitationally supported rotation of a massive toroid, we interpret this velocity gradient as a relatively slow expansion of core A1.
Cricopharyngeal myotomy with thulium laser through flexible endoscopy: proof-of-concept study
Authors: Siboni Stefano , Aiolfi Alberto , Ceriani Chiara , Tontini Gian , Bonavina Luigi
Published: March 2018

Background and study aims Endoscopic treatment of Zenker’s diverticulum has proven feasible, but electrocautery and CO2 laser technology carry the risk of collateral thermal injury. Thulium laser septum incision may overcome this limitation. We describe for the first time the use of thulium laser through flexible endoscopy in a small cohort of patients with Zenker diverticulum.

Patients and methods Thulium laser septum division was performed via flexible endoscopy under general anesthesia in consecutive symptomatic patients with primary or recurrent Zenker diverticulum. Primary study outcomes were feasibility and safety of the procedure. A 1.9-μm laser fiber was used with an emission power of 10 – 16 W.

Results Five patients were treated between May and June 2017. Two patients presented with recurrent symptomatic diverticulum after previous transoral septum stapling. Complete division of the septum was achieved in all patients. There was no bleeding nor need of adjunctive electrocautery devices to complete the procedure. The postoperative course was uneventful in all patients; the chest film and gastrographin swallow study on postoperative Day 1 were negative for pneumomediastinum, leaks or residual pouch. All patients were discharged within 48 hours on a soft diet. At the 1- and 3-month follow-up visits, all patients were satisfied with the procedure and reported improved swallowing and absence of regurgitation and cough.

Conclusions Division of Zenker’s septum with thulium laser is feasible and safe through flexible endoscopy. Longer-term follow-up is required to establish efficacy and effectiveness of this novel procedure.
Synthesis of 2-Azabicyclo[n.2.0]alkane-Derived Building Blocks
Authors: Grygorenko Oleksandr , Kurkunov Maksym , Levandovskiy Igor , Tymtsunik Andriy
Published: March 2018

An approach to 2-azabicyclo[n.2.0]alkane derivatives (n = 1, 2), which relies on a tandem Strecker reaction–intramolecular nucleophilic cyclization (STRINC) sequence of the corresponding 2-(ω-chloroalkyl)cyclobutanones (in turn prepared by [2+2] cycloaddition of keteniminium salts and ethylene) is described. The utility of the method is demonstrated by multigram syntheses of bicyclic proline analogues, monoprotected diamines, as well as parent 2-azabicyclo[4.2.0]octane.
Recent Advances in Water-Tolerance in Frustrated Lewis Pair Chemistry
Authors: Ingleson Michael , Fasano Valerio
Published: March 2018

A water-tolerant frustrated Lewis pair (FLP) combines a sterically encumbered Lewis acid and Lewis base that in synergy are able to activate small molecules even in the presence of water. The main challenge introduced by water comes from its reversible coordination to the Lewis acid which causes a marked increase in the Brønsted acidity of water. Indeed, the oxophilic Lewis acids typically used in FLP chemistry form water adducts whose acidity can be comparable to that of strong Brønsted acids such as HCl, thus they can protonate the Lewis base component of the FLP. Irreversible proton transfer quenches the reactivity of both the Lewis acid and the Lewis base, precluding small molecule activation. This short review discusses the efforts to overcome water-intolerance in FLP systems, a topic that in less than five years has seen significant progress.

1 Introduction

2 Water-Tolerance (or Alcohol-Tolerance) in Carbonyl Reductions

3 Water-Tolerance with Stronger Bases

4 Water-Tolerant Non-Boron-Based Lewis Acids in FLP Chemistry

5 Conclusions
Supracricoid Laryngectomy: The Function of the Remaining Arytenoid in Voice and Swallowing
Authors: Buzaneli Elaine , Zenari Marcia , Kulcsar Marco , Dedivitis Rogerio , Cernea Cláudio , Nemr Kátia
Published: March 2018

Introduction Supracricoid laryngectomy still has selected indications; there are few studies in the literature, and the case series are limited, a fact that stimulates the development of new studies to further elucidate the structural and functional aspects of the procedure.

Objective To assess voice and deglutition parameters according to the number of preserved arytenoids.

Methods Eleven patients who underwent subtotal laryngectomy with cricohyoidoepiglottopexy were evaluated by laryngeal nasofibroscopy, videofluoroscopy, and auditory-perceptual, acoustic, and voice pleasantness analyses, after resuming oral feeding.

Results Functional abnormalities were detected in two out of the three patients who underwent arytenoidectomy, and in six patients from the remainder of the sample. Almost half of the sample presented silent laryngeal penetration and/or vallecular/hypopharyngeal stasis on the videofluoroscopy. The mean voice analysis scores indicated moderate vocal deviation, roughness and breathiness; severe strain and loudness deviation; shorter maximum phonation time; the presence of noise; and high third and fourth formant values. The voices were rated as unpleasant. There was no difference in the number and functionality of the remaining arytenoids as prognostic factors for deglutition; however, in the qualitative analysis, favorable voice and deglutition outcomes were more common among patients who did not undergo arytenoidectomy and had normal functional conditions.

Conclusion The number and functionality of the preserved arytenoids were not found to be prognostic factors for favorable deglutition efficiency outcomes. However, the qualitative analysis showed that the preservation of both arytenoids and the absence of functional abnormalities were associated with more satisfactory voice and deglutition patterns.
Effect of Fractal Tones on the Improvement of Tinnitus Handicap Inventory Functional Scores among Chronic Tinnitus Patients: An Open-label Pilot Study
Authors: Simonetti Patricia , Vasconcelos Laura , Oiticica Jeanne
Published: March 2018

Introduction Music-based sound therapies become recently a trend in the treatment of tinnitus. Few publications have studied the therapeutic use of fractal tones to treat chronic tinnitus.

Objective The aim of this study was to determine the benefits of using fractal tones as a unique sound therapy for chronic tinnitus sufferers.

Methods Twelve participants were recruited; however, six could not be assigned. At baseline and at 1, 3 and 6 months, the participants were provided with the Tinnitus Handicap Inventory (THI) and Hearing Handicap Inventory for Adults (HHIA) questionnaires, and their visual analog scale score was recorded. Tinnitus pitch and loudness matching was performed before fitting and after 6 months of use.

Results The visual analog scale (VAS) score, pitch and loudness matching and minimal masking levels did not result in significant improvement at the end of the treatment. The mean THI measured at baseline was 45, and the final one was 25. A paired sample t-test showed that this 20-point difference was statistically significant.

Conclusions We measured the benefits of using fractal tone therapy for the treatment of chronic tinnitus and found that most of the benefits were in the THI functional domain, which includes concentration, reading, attention, consciousness, sleep, social activities, and household tasks. For all patients with bothersome chronic tinnitus and high scores on the THI functional scale, fractal tones should be considered a promising initial sound therapy strategy. The findings from this open-label pilot study are preliminary, and further trials are needed before these results can be generalized to a larger tinnitus population.
Mammary Hibernoma: A Case Report of a Rare Disease
Authors: Neves Filho Eduardo Henrique Cunha , Lima Geórgia de Aguiar Feitosa , Alves Ângelo Roncalli Melo , Sousa Valdenrique Macêdo de , Cunha Maria do Perpétuo Socorro Saldanha da
Published: March 2018

Mammary hibernomas are extremely rare benign tumors composed of brown fat cells, with only five cases previously reported in the literature. We report the case of a 42-year-old female patient with a painless growing mass in her right breast. A partial mastectomy was performed, and the diagnosis of hibernoma was confirmed by the histological features and the immunohistochemical profile. Although hibernoma is a benign tumor, its main differential diagnoses include aggressive lesions, making the accurate diagnosis essential to provide adequate care to the patient.
Determination of Factors Associated with Critical Weight Loss in Oral Cavity Carcinoma Patients: A Retrospective Cohort Study
Authors: Iftikhar Haissan , Suhail Anwar , Nathani Karim , Urooba Amna , Shahzad Noman , Awan Sohail , Dhanani Rahim
Published: March 2018

Introduction Critical weight loss is defined as an unintentional weight loss of ≥ 5% at 1 month or ≥ 10% at 6 months from the start of treatment. Critical weight loss leads to deterioration of the immune function and reduced tolerance to treatment (surgery ± radiochemotherapy) as well as increased complication rates.

Objective Critical weight loss, defined as a weight loss of ≥ 5% after 1 month or ≥ 10% after 6 months from the start of treatment, is not uncommon in head and neck cancer patients. We aimed to assess the factors associated with critical weight loss during the treatment of oral cavity squamous cell carcinoma patients.

Methods A retrospective cohort study was performed at the Aga Khan University Hospital, in Karachi, Pakistan, on 125 patients. Patients receiving adjuvant therapy were considered exposed, and the outcome was critical weight loss.

Results The mean age of presentation was 46.9 ± 12.8 years in patients undergoing surgery and adjuvant therapy, with 119 (79.3%) of them being male and 31 (20.7%) female. One hundred and twelve patients (81.3%) developed critical weight loss at 6 months from the start of treatment, and the only significant variable associated with critical weight loss was the stage of the disease (p = 0.03).

Conclusion A large proportion of patients with oral cancer developed critical weight loss requiring a need for intervention. The overall stage of the disease is a significant predictor of critical weight loss in patients undergoing treatment.
The diagnostic yield of open-access endoscopy of the upper gastrointestinal tract in the Netherlands
Authors: Crouwel Femke , Meurs-Szojda M. , Klemt-Kropp M. , Fockens P. , Grasman M.
Published: March 2018

Background and study aims Since the introduction of open-access esophago-gastroduodenoscopy (OAE) there is an increase in the total number of performed OAEs whilst the frequency of clinical relevant findings has decreased. The aim of this study was to assess the appropriate use and the diagnostic yield of OAE in the Netherlands and to determine which patient variables are able to predict a malignant finding.

Patients and methods A retrospective chart review of all referrals for diagnostic OAE between October 2012 and October 2016 at the Northwest Clinics was performed. The indications were recorded from the referral letter and were classified as “appropriate” or “inappropriate” according to the NHG guideline. Logistic regression was used to detect significant predictive variables for a malignancy.

Results A total of 2006 patients were included, of whom 59.6 % had an ‘appropriate’ referral indication. The diagnostic yield of finding a clinical relevant finding was significantly higher for OAEs with an “appropriate” referral indication. Independent risk factors for malignancy were alarm symptoms, age and male gender with a combined AUC of 0.868.

Conclusions Only 3.8 % of the malignancies would be missed by strict adherence to the guideline. This indicates that the open-access system in the Netherlands works well. Further improvement of the system can be achieved by only accepting appropriate indications for OAE and by treating patients under the age of 40 without OAE. We showed that a risk-prediction model based on the variables age, alarm symptoms and male gender is a good predictor of malignant finding.
Additional flap on plastic stents for improved antimigration effect in the treatment of post-cholecystectomy bile leak
Authors: Kwon Chang-Il , Gromski Mark , Oh Hyoung-Chul , Easler Jeffrey , El Hajj Ihab , Watkins James , Fogel Evan , McHenry Lee , Sherman Stuart , Lehman Glen
Published: March 2018

Background and study aims In plastic stent insertion for treatment of post-cholecystectomy bile leak, stent migration may be more common due to the absence of a shelf to anchor the stent. We evaluated how adding a flap to straight plastic stents for this indication might influence the rate of stent migration when compared to use of conventional plastic stents.

Patients and methods This is a retrospective study including patients referred for ERCP for treatment of post-cholecystectomy bile leak. Patients with a customized anti-migration flap stent had the additional flap created on the distal end of straight plastic stents, intended to aid in anchoring in the distal supra-sphincteric biliary duct. The primary endpoint is stent migration events. The secondary endpoint is bile leak resolution after first ERCP session.

Results Thirty-two patients were treated with the experimental additional flap stents and 225 patients were treated with standard straight biliary stents. The total failure rate of bile leak resolution after a single endoscopic treatment for all treated was 10.5 % (27/257) and the total stent migration rate for all enrolled was 15.2 % (39/257). Stent migration rate was lower in the additional flap stent group than in the conventional group (3.1 % vs. 16.9 %, respectively, P = 0.04). Furthermore, significantly more patients had resolution of their bile leak after the first ERCP session in the group with the additional flap (100 % vs. 88 %, respectively, P = 0.03).

Conclusion A plastic biliary stent with an extra flap may have improved performance with regard to stent migration and resolution of bile leak over standard plastic biliary stents.
Clinicopathological examination of ESD as salvage therapy for esophageal cancer after definitive chemo-radiation therapy
Authors: Kagawa Tomo , Ishikawa Shigenao , Inaba Tomoki , Colvin Mariko , Toyosawa Junki , Aoyama Yuki , Ishida Masaya , Kuraoka Sakiko , Okamoto Kunio , Sakakihara Ichiro , Izumikawa Koichi , Yamamoto Kumiko , Takahashi Sakuma , Tanaka Shigetomi , Matsuura Mihoko , Hasui Toshimi , Wato Masaki , Ando Midori , Nakamura Satoko , Mizobuchi Koichi
Published: March 2018

Background and study aims Salvage therapy for esophageal cancer following chemo-radiation therapy (CRT) has not been established. We aimed to evaluate endoscopic submucosal dissection (ESD) as a salvage therapy based on histopathological features of lesions.

Patients and methods We compared 10 lesions in eight patients with local residual, recurrent, or metachronous esophageal squamous cell carcinoma treated by ESD after CRT (CRT group) and 59 lesions treated by ESD without CRT (non-CRT group) during the same period.

Results The en bloc resection rate was 100 % while the complete resection rate was 80.0 % in the lesions after CRT, indicating no difference between the CRT and non-CRT groups. Pathological examination showed that fibrosis was more intense in the lamina propria mucosa, muscularis mucosa, and submucosa. The muscularis mucosa was thicker in both non-tumor and tumor sites in the CRT group compared to the non-CRT group. However, severe submucosal fibrosis was observed only in one lesion in the CRT group. The maximum diameter of the submucosal artery was significantly larger in the CRT group (P < 0.001).

Conclusions Compared to the non-CRT group, the lesions in the CRT group were accompanied by fibrosis while the muscularis mucosa were thicker; however, severe fibrosis of the submucosa was rare. It is important to dissect the muscularis mucosa appropriately during ESD, which makes successful dissection of the submucosa possible. Attention should be paid to bleeding from large arteries.
Ionic liquids at the surface of graphite: Wettability and structure
Authors: Bordes Emilie , Douce Laurent , Quitevis Edward L. , Pádua Agílio A. H. , Costa Gomes Margarida
Published: March 2018

The aim of this work is to provide a better understanding of the interface between graphite and different molecular and ionic liquids. Experimental measurements of the liquid surface tension and of the graphite-liquid contact angle for sixteen ionic liquids and three molecular liquids are reported. These experimental values allowed the calculation of the solid/liquid interfacial energy that varies, for the ionic liquids studied, between 14.5 mN m−1 for 1-ethyl-3-methylimidazolium dicyanamide and 37.8 mN m−1 for 3-dodecyl-1-(naphthalen-1-yl)-1H-imidazol-3-ium tetrafluoroborate. Imidazolium-based ionic liquids with large alkyl side-chains or functionalized with benzyl groups seem to interact more favourably with freshly peeled graphite surfaces. Even if the interfacial energy seems a good descriptor to assess the affinity of a liquid for a carbon-based solid material, we conclude that both the surface tension of the liquid and the contact angle between the liquid and the solid can be significant. Molecular dynamics simulations were used to investigate the ordering of the ions near the graphite surface. We conclude that the presence of large alkyl side-chains in the cations increases the ordering of ions at the graphite surface. Benzyl functional groups in the cations lead to a large affinity towards the graphite surface.
Pyroelectricity in globular protein lysozyme films
Authors: Stapleton A. , Noor M. R. , Haq E. U. , Silien C. , Soulimane T. , Tofail S. A. M.
Published: March 2018

Pyroelectricity is the ability of certain non-centrosymmetric materials to generate an electric charge in response to a change in temperature and finds use in a range of applications from burglar alarms to thermal imaging. Some biological materials also exhibit pyroelectricity but the examples of the effect are limited to fibrous proteins, polypeptides, and tissues and organs of animals and plants. Here, we report pyroelectricity in polycrystalline aggregate films of lysozyme, a globular protein.
Extending the accuracy of the SNAP interatomic potential form
Authors: Wood Mitchell A. , Thompson Aidan P.
Published: March 2018

The Spectral Neighbor Analysis Potential (SNAP) is a classical interatomic potential that expresses the energy of each atom as a linear function of selected bispectrum components of the neighbor atoms. An extension of the SNAP form is proposed that includes quadratic terms in the bispectrum components. The extension is shown to provide a large increase in accuracy relative to the linear form, while incurring only a modest increase in computational cost. The mathematical structure of the quadratic SNAP form is similar to the embedded atom method (EAM), with the SNAP bispectrum components serving as counterparts to the two-body density functions in EAM. The effectiveness of the new form is demonstrated using an extensive set of training data for tantalum structures. Similar to artificial neural network potentials, the quadratic SNAP form requires substantially more training data in order to prevent overfitting. The quality of this new potential form is measured through a robust cross-validation analysis.
The impact of dissipation on plasmonic versus non-collective excitation
Authors: Vincendon M. , Reinhard P.-G. , Suraud E.
Published: March 2018

We explore the impact of dissipation on the response of clusters and molecules to a laser field whereby dissipation is treated at the level of a quantum Relaxation Time Approach (RTA). Test cases are the metal cluster Na40 with pronounced plasmon response and, for comparison, the H2O molecule with strong spectral fragmentation. Laser parameters are selected according to the spectral properties of the considered systems. We consider both on and off resonance laser irradiation and compare dynamical response in terms of net ionization, absorbed energy, and dipole response. The impact of dissipation is tested by comparison of results from RTA with mere mean-field dynamics at the level of time-dependent density functional theory. Only little differences between dissipative and mean-field dynamics are observed for off resonance irradiations. The situation is totally different for laser frequencies matching a resonance where we observe qualitative differences between the RTA and mean-field evolutions.
SchNet – A deep learning architecture for molecules and materials
Authors: Schütt K. T. , Sauceda H. E. , Kindermans P.-J. , Tkatchenko A. , Müller K.-R.
Published: March 2018

Deep learning has led to a paradigm shift in artificial intelligence, including web, text, and image search, speech recognition, as well as bioinformatics, with growing impact in chemical physics. Machine learning, in general, and deep learning, in particular, are ideally suitable for representing quantum-mechanical interactions, enabling us to model nonlinear potential-energy surfaces or enhancing the exploration of chemical compound space. Here we present the deep learning architecture SchNet that is specifically designed to model atomistic systems by making use of continuous-filter convolutional layers. We demonstrate the capabilities of SchNet by accurately predicting a range of properties across chemical space for molecules and materials, where our model learns chemically plausible embeddings of atom types across the periodic table. Finally, we employ SchNet to predict potential-energy surfaces and energy-conserving force fields for molecular dynamics simulations of small molecules and perform an exemplary study on the quantum-mechanical properties of C20-fullerene that would have been infeasible with regular ab initio molecular dynamics.
Ionization asymmetry effects on the properties modulation of atmospheric pressure dielectric barrier discharge sustained by tailored voltage waveforms
Authors: Zhang Z. L. , Nie Q. Y. , Zhang X. N. , Wang Z. B. , Kong F. R. , Jiang B. H. , Lim J. W. M.
Published: March 2018

The dielectric barrier discharge (DBD) is a promising technology to generate high density and uniform cold plasmas in atmospheric pressure gases. The effective independent tuning of key plasma parameters is quite important for both application-focused and fundamental studies. In this paper, based on a one-dimensional fluid model with semi-kinetics treatment, numerical studies of ionization asymmetry effects on the properties modulation of atmospheric DBD sustained by tailored voltage waveforms are reported. The driving voltage waveform is characterized by an asymmetric-slope fundamental sinusoidal radio frequency signal superimposing one or more harmonics, and the effects of the number of harmonics, phase shift, as well as the fluctuation of harmonics on the sheath dynamics, impact ionization of electrons and key plasma parameters are investigated. The results have shown that the electron density can exhibit a substantial increase due to the effective electron heating by a spatially asymmetric sheath structure. The strategic modulation of harmonics number and phase shift is capable of raising the electron density significantly (e.g., nearly three times in this case), but without a significant increase in the gas temperature. Moreover, by tailoring the fluctuation of harmonics with a steeper slope, a more profound efficiency in electron impact ionization can be achieved, and thus enhancing the electron density effectively. This method then enables a novel alternative approach to realize the independent control of the key plasma parameters under atmospheric pressure.