bluuebunny/crossref_metadata_2025 huggingface dataset:
Are SMC Complexes Loop Extruding Factors? Linking Theory With Fact
Authors: Baxter Jonathan , Oliver Antony W. , Schalbetter Stephanie A.
Published: December 2018

The extreme length of chromosomal DNA requires organizing mechanisms to both promote functional genetic interactions and ensure faithful chromosome segregation when cells divide. Microscopy and genome‐wide contact frequency analyses indicate that intra‐chromosomal looping of DNA is a primary pathway of chromosomal organization during all stages of the cell cycle. DNA loop extrusion has emerged as a unifying model for how chromosome loops are formed in cis in different genomic contexts and cell cycle stages. The highly conserved family of SMC complexes have been found to be required for DNA cis‐looping and have been suggested to be the enzymatic core of loop extruding machines. Here, the current body of evidence available for the in vivo and in vitro action of SMC complexes is discussed and compared to the predictions made by the loop extrusion model. How SMC complexes may differentially act on chromatin to generate DNA loops and how they could work to generate the dynamic and functionally appropriate organization of DNA in cells is explored.
Nobelpreis für Chemie 2018: Proteine mit neuen Eigenschaften durch gerichtete Evolution
Authors: Hille‐Rehfeld Annette
Published: December 2018

Der Nobelpreis für Chemie würdigt in diesem Jahr drei Wissenschaftler, die Methoden für die nachhaltige Produktion technologisch und pharmazeutisch interessanter Proteine entwickelt haben: Frances H. Arnold nutzte als erste das natürliche Repertoire von Mutation und Selektion für die gerichtete Evolution von Enzymen im bakteriellen Expressionssystem. George P. Smith entwickelte das gentechnologische Konzept des Phagen‐Display, um Interaktionen von Proteinen zu charakterisieren, und Gregory P. Winter adaptierte diese neue Methode für die gerichtete Evolution von Antikörpern.
Bioinformatik: BLAST
Authors: Haag Sara
Published: December 2018

BLAST? Das bedeutet Explosion oder Sprengung – zumindest wenn man das im Englischwörterbuch nachschaut. Was hat das jetzt mit Bioinformatik zu tun? Jeder von uns hätte vermutlich gerne schon mal seinen Computer gesprengt, wenn er nicht das getan hat, was man wollte. In diesem Artikel geht es aber nicht um die Zerstörung von Rechnern, sondern um die Nutzung frei zugänglicher Internetprogramme, um Protein‐ oder Nukleotidsequenzen zu identifizieren oder zu vergleichen.
Non‐Fullerene Small Molecule Acceptors Containing Barbituric Acid End Groups for Use in High‐performance OPVs
Authors: Choe Jong‐chan , Lee Tae Ho , Lim Eunhee
Published: December 2018

We synthesized two new bithiophene‐based small molecules, TT‐BBAR, and TT‐OBAR, having butyl‐ and octyl‐substituted barbituric acid (BAR) groups, respectively, via a well‐known synthetic method, the Knoevenagel condensation, in high yield. These small molecules displayed solubilities and thermal stabilities sufficient for the fabricating organic photovoltaic cells (OPVs) and were designed to have relatively low molecular orbital energy levels and act as non‐fullerene acceptors (NFAs) for use in OPVs upon introduction of electron‐withdrawing BAR groups at both ends. For example, the LUMO and HOMO energy levels of TT‐OBAR were −3.79 and of −5.84 eV, respectively, clearly lower than those of a polymer donor, PTB7‐Th. Importantly, the small molecules featured an energy offset with PTB7‐Th sufficient for achieving exciton dissociation. The optical and electrochemical properties of TT‐BBAR and TT‐OBAR did not depend on the alkyl chain length. Finally, OPV devices were fabricated in an inverted structure using a solvent process. The power conversion efficiency of TT‐OBAR (1.34%) was found to be slightly higher than that of TT‐BBAR (1.16%). The better performance and higher short‐circuit current value of TT‐OBAR could be explained based on a morphological AFM study, in which TT‐OBAR displayed a more homogeneous morphology with a root‐mean‐square value of 1.18 nm compared to the morphology of TT‐BBAR (11.7 nm) induced by increased alkyl chain length.
Automated and enhanced clone screening using a fully automated microtiter plate‐based system for suspension cell culture
Authors: Markert Sven , Musmann Carsten , Hülsmann Peter , Joeris Klaus
Published: December 2018

Recently, we established an automated microtiter plate (MTP)‐based system for suspension cell culture for high‐throughput (HT) applications in biopharmaceutical process development. In the present report, the new system was evaluated regarding its potential to improve clone screening by allowing high‐throughput fed‐batch cultivation at an early stage. For this purpose, a fully automated procedure was compared to a mainly batch mode‐based manual standard process. The new system performed daily measurements of viable cell density and product concentration for a total of 96 clones in biological duplicates that were evaluated for final clone selection. This resulted in a more than fivefold increase in sample throughput and 4 weeks of time saving compared to the reference process. The top clone characterized by the highest cell specific productivity was identified only by the new process. In contrast, this clone was lost in the expansion phase of the reference procedure. Overall, the new system identified more high‐productive clones, offering more alternatives and flexibility for process development. In‐process monitoring of glucose and lactate levels representing crucial secondary selection criteria further enhanced top clone identification. Clone characterization at an early stage was further extended by linking the MTP‐based cell culture system to additional HT‐analytic systems for N‐glycosylation analysis as well as gene expression analysis by reverse transcriptase‐quantitative polymerase chain reaction. These powerful tools connected to the automated MTP‐based cell culture system lead to considerably advanced quality and speed of clone screening, and increase the probability of selecting the most suitable clone. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 35: e2760, 2019.
Raw material quality assessment approaches comparison in pectin production
Authors: Caroço Ricardo F. , Bevilacqua Marta , Armagan Ibrahim , Santacoloma Paloma A. , Abildskov Jens , Skov Thomas , Huusom Jakob K.
Published: December 2018

Different opportunities are explored to evaluate quality variation in raw materials from biological origin. Assessment of raw materials attributes is an important step in a bio‐based production as fluctuations in quality are a major source of process disturbance. This can be due to a variety of biological, seasonal, and supply scarcity reasons. The final properties of a product are invariably linked with the initial properties of the raw material. Thus, the operational conditions of a process can be tuned to drive the product to the required specification based on the quality assessment of the raw material being processed. Process analytical technology tools which enable this assessment in a far more informative and rapid manner than current industrial practices that rely on rule‐of‐thumb decisions are assessed. An example with citrus peels is used to demonstrate the conceptual and performance differences of distinct quality assessment approaches. The analysis demonstrates the advantage of characterization through multivariate data analysis coupled with a complementary spectroscopic technique, near‐infrared spectroscopy. The quantitative comparative analysis of three different approaches, discriminant classification based on expert‐knowledge, unsupervised classification, and spectroscopic correlation with reference physicochemical variables, is performed in the same dataset context. © 2018 Her Majesty the Queen in Right of Canada © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 35: e2762, 2019.
‘We argue a lot and don't talk with each other’: How distressed are families when seeking Relate family counselling?
Authors: Vossler Andreas , Moller Naomi
Published: November 2018

Aims

Family counselling, with its preventative and supportive focus, could offer an important addition to higher intensity family therapy services, improving functioning for families in need. However, a basic question is whether families presenting to such services are, as assumed, less distressed than those presenting to National Health Service (NHS) services. This study therefore examined the levels of distress (child and family functioning) of families seeking help at a national voluntary sector family counselling service (Relate). In addition, the study explored how parents and children describe their families and understand the difficulties that brought them into family counselling.

Method

A total of 54 families (60 adults and 15 children) from one local Relate centre completed the ‘Systemic Clinical Outcome and Routine Evaluation’ Scale (SCORE‐15), the ‘Family Adaptability and Cohesion Evaluation Scale III’ (FACES‐III) and the ‘Strengths and Difficulties Questionnaire’ (SDQ) before counselling. The answers to three open SCORE questions (family and problem description) were analysed with a combination of thematic and content analysis.

Results

The quantitative results indicate moderate to high levels of distress reported by families when seeking Relate family counselling, comparable with NHS secondary service Child and Adolescent Mental Health contexts. The qualitative data show a broad range of problems at different levels (child‐related issues, family conflicts, marital break‐down and external pressure).

Discussion

The results indicate a potential mismatch between the preventative and low‐intensive focus of this kind of intervention and the levels of distress and problem severity in the help‐seeking population. Possible implications from these results for further research and therapeutic practice are explored.
Developing an Antibody–Drug Conjugate Approach to Selective Inhibition of an Extracellular Protein
Authors: Love Elizabeth A. , Sattikar Afrah , Cook Hannah , Gillen Kevin , Large Jonathan M. , Patel Seema , Matthews David , Merritt Andy
Published: December 2018

Antibody–drug conjugates (ADCs) are a growing class of therapeutics that harness the specificity of antibodies and the cell‐killing potency of small‐molecule drugs. Beyond cytotoxics, there are few examples of the application of an ADC approach to difficult drug discovery targets. Here, we present the initial development of a non‐internalising ADC, with a view to selectively inhibiting an extracellular protein. Employing the wellinvestigated matrix metalloproteinase‐9 (MMP‐9) as our model, we adapted a broad‐spectrum, nonselective MMP inhibitor for conjugation and linked this to a MMP‐9‐targeting antibody. The resulting ADC fully inhibits MMP‐9, and ELISA results suggest antibody targeting can direct a nonselective inhibitor.
Food Pantries on Campus to Address Student Hunger
Authors: Cady Clare , White Carol Cutler
Published: December 2018

This chapter provides useful tips for campus leaders and student organizations to establish a campus food pantry.
Enhanced Methanol Oxidation in Acid Media on Pt/S, P Co‐doped Graphene with 3D Porous Network Structure Engineering
Authors: An Meichen , Du Chunyu , Du Lei , Wang Yajing , Wang Yang , Sun Yongrong , Yin Geping , Gao Yunzhi
Published: December 2018

A sulfur and phosphorous co‐doped three‐dimensional graphene (3D‐SPG)‐supported Pt nanoparticle (Pt/3D‐SPG) catalyst with a unique 3D porous network structure was synthesized and employed as an efficient, environmentally friendly and robust catalyst for the methanol oxidation reaction (MOR). The unique 3D porous network structure of 3D‐SPG is in favor of uniformly supporting Pt nanoparticles with an average size of 2.09 nm as well as enhancement of the mass transport of reactants and products. Hence, the Pt/3D‐SPG catalyst shows improved stability, an electrochemical surface area over 15.5 and 30.8 % larger, and MOR performance of 1.6 and 2.2 times higher than S and P co‐doped and P‐doped graphene‐supported Pt nanoparticle (Pt/SPG and Pt/PG) catalysts, respectively. The enhanced CO tolerance of the Pt/3D‐SPG catalyst may result from the 3D porous network structure, which was not only favorable to release CO efficiently from the metallic Pt surface, but also could concentrate many more hydroxyl groups for enhancing COads oxidation. The Pt/3D‐SPG catalyst offer a unique strategy for designing and preparing 3D graphene‐based catalysts, taking into account of the advantages of doping with different heteroatoms.
A Closed Metallomolecular Cage that can Open its Aperture by Disulfide Exchange
Authors: Akine Shigehisa , Miyashita Masato , Nabeshima Tatsuya
Published: December 2018

A closed metallomolecular cage based on the tris(saloph) framework, in which its aperture can be opened by disulfide exchange, was designed. At the apertures of the molecular cage, bridging diamine ligands having a disulfide bond were introduced to close the cage structure. These bridging ligands efficiently blocked the uptake of a guest, Cs+, but the presence of a thiolate anion significantly accelerated the guest uptake. This clearly means that this cage complex became open by the addition of the thiolate anion, because the cage closure becomes more dynamic due to the disulfide exchange reaction.
Interaction of Functionalized Naphthalenophanes with Abasic Sites in DNA: DNA Cleavage, DNA Cleavage Inhibition, and Formation of Ligand–DNA Adducts
Authors: Caron Coralie , Duong Xuan N. T. , Guillot Régis , Bombard Sophie , Granzhan Anton
Published: December 2018

Ligands interacting with abasic (AP) sites in DNA may generate roadblocks in base‐excision DNA repair (BER) due to indirect inhibition of DNA repair enzymes (e.g., APE1) and/or formation of toxic byproducts, resulting from ligand‐induced strand cleavage or covalent cross‐links. Herein, a series of 12 putative AP‐site ligands, sharing the common naphthalenophane scaffold, but endowed with a variety of substituents, have been prepared and systematically studied. The results demonstrate that most naphthalenophanes bind to AP sites in DNA and inhibit the APE1‐induced hydrolysis of the latter in vitro. Remarkably, their APE1 inhibitory activity, as characterized by IC50 and KI values, can be directly related to their affinity and selectivity to AP sites, as assessed by means of fluorescence melting experiments. On the other hand, the molecular design of naphthalenophanes has a crucial influence on their intrinsic AP‐site cleavage activity (i.e., ligand‐catalyzed β‐ and β,δ‐elimination reactions at the AP site), as illustrated by the compounds either having an exceptionally high AP‐site cleavage activity (e.g., 2,7‐BisNP‐S, 125‐fold more efficacious than spermine) or being totally devoid of this activity (four compounds). Finally, the unprecedented formation of a stable covalent DNA adduct upon reaction of one ligand (2,7‐BisNP‐NH) with its own product of the AP‐site cleavage is revealed.
Metal‐Free Dearomatization: Direct Access to Spiroindol(en)ines in Batch and Continuous‐Flow
Authors: Ranjan Prabhat , Ojeda Gerardo M. , Sharma Upendra K. , Van der Eycken Erik V.
Published: December 2018

A metal‐free, phosphine‐catalyzed intramolecular “umpolung Michael addition” on alkynes to form spiroindol(en)ines is reported. This nucleophilic catalysis enables the formation of a wide scope of five‐ and six‐membered spiroindol(en)ines in moderate to excellent yields in batch as well as under continuous‐flow conditions. Triphenylphosphine‐catalyzed nucleophilic activation of alkynes allows the exclusive formation of exo‐product under mild reaction conditions.
A Practical General Method for the Preparation of Long Acenes
Authors: Jancarik Andrej , Levet Gaspard , Gourdon André
Published: December 2018

The field of long acenes, the narrowest of the zig‐zag graphene nanoribbons, has been an area of significant interest in the past decade because of its potential applications in organic electronics, spintronics and plasmonics. However the low solubility and high reactivity of these compounds has so far hindered their preparation on large scales. We report here a concise strategy for the synthesis of higher acenes through Diels–Alder condensation of arynes with a protected tetraene ketone. After deprotection by cleavage of the ketal, the obtained monoketone precursors cleanly yield the corresponding acenes through quantitative cheletropic thermal decarbonylation in the solid state, at moderate temperatures of 155 to 205 °C. This approach allows the preparation of heptacene, benzo[a]hexacene, cis‐ and trans‐dibenzopentacene and offers a valuable new method for the synthesis of even larger acenes.
Indications for and efficacy of postmastectomy radiotherapy for patients with a favorable response to neoadjuvant chemotherapy
Authors: Francis David M. , Witt Jacob S. , Anderson Bethany M.
Published: December 2018

Prospective, randomized data regarding the use of postmastectomy radiotherapy (PMRT) in women who receive neoadjuvant chemotherapy (NAC) are lacking. The usefulness of PMRT in patients who respond well to NAC forms the basis of the ongoing National Surgical Adjuvant Breast and Bowel Project (NSABP) B51/Radiation Therapy Oncology Group (RTOG) 0413 clinical trial. Herein, the authors review the current literature examining the role of PMRT in women who receive NAC prior to surgery.
Targeted multigene deep sequencing of Bruton tyrosine kinase inhibitor–resistant chronic lymphocytic leukemia with disease progression and Richter transformation
Authors: Kanagal‐Shamanna Rashmi , Jain Preetesh , Patel Keyur P. , Routbort Mark , Bueso‐Ramos Carlos , Alhalouli Tahani , Khoury Joseph D. , Luthra Rajyalakshmi , Ferrajoli Alessandra , Keating Michael , Jain Nitin , Burger Jan , Estrov Zeev , Wierda William , Kantarjian Hagop M. , Medeiros L. Jeffrey
Published: December 2018

Background

In a proportion of patients with chronic lymphocytic leukemia (CLL), resistance to Bruton tyrosine kinase (BTK) inhibitors (BTKi) is attributed to acquired BTK/phospholipase C gamma 2 (PLCG2) mutations. However, knowledge regarding additional genetic lesions associated with BTK/PLCG2 mutations, and gene mutations in patients lacking BTK/PLCG2 mutations, is limited.

Methods

Using targeted deep sequencing, mutations in 29 genes associated with CLL and/or the BCR signaling pathway were assessed in patients with CLL who developed resistance to BTK inhibition with ibrutinib/acalabrutinib at a single institution.

Results

The study group included 29 patients with BTKi‐resistant CLL, 23 patients with disease progression, and 6 patients with Richter transformation (RT). The median times to disease progression and RT were 33.3 months and 13.3 months, respectively. In 11 patients, sequencing was possible at both baseline (prior to treatment with BTKi) and at time of disease progression/RT. Of these patients, 4 demonstrated BTK mutations at the time of disease progression/RT; patients without BTK mutations frequently acquired mutations associated with disease progression/RT in TP53, SF3B1, and CARD11, whereas additional mutations were rare in patients with BTK‐mutated CLL. Sequencing of all 29 patients at the time of disease progression/RT identified BTK mutations at a frequency of 66%, including a novel V537I mutation. Among patients with disease progression, BTK mutations were observed in 16 patients (70%). The median time to disease progression was shorter in patients without BTK mutations compared with those with BTK‐mutated CLL. Among patients with RT, SF3B1 mutations were more frequent than BTK mutations (67% vs 50%). Following BTKi discontinuation, we sequential mutation analysis was performed in 2 patients with RT and 3 patients with disease progression in the setting of persistent disease. Both patients with RT demonstrated disappearance of BTK and expansion of TP53 mutations. All 3 patients with disease progression received venetoclax and demonstrated suppression of BTK mutations.

Conclusions

Longitudinal, targeted, multigene deep sequencing is informative for the clinical monitoring of mutational evolution in patients with CLL who are receiving BTKi.
Promising efficacy of SHR‐1210, a novel anti–programmed cell death 1 antibody, in patients with advanced gastric and gastroesophageal junction cancer in China
Authors: Huang Jing , Mo Hongnan , Zhang Weilong , Chen Xuelian , Qu Dong , Wang Xi , Wu Dawei , Wang Xingyuan , Lan Bo , Yang Beibei , Wang Pei , Zhang Bo , Yang Qing , Jiao Yuchen , Xu Binghe
Published: December 2018

Background

The clinical response to anti–programmed cell death 1 (PD‐1) antibodies in patients with advanced gastric and gastroesophageal junction (GEJ) cancer in China has not been reported.

Methods

This study evaluated the efficacy and safety of SHR‐1210, an anti–PD‐1 antibody, in patients with advanced gastric/GEJ cancer in a phase 1 trial. The associations between candidate biomarkers (programmed death ligand 1 [PD‐L1] expression, mismatch repair status, tumor mutation load, and lactate dehydrogenase [LDH] levels) and the efficacy of SHR‐1210 were also explored.

Results

Thirty patients with recurrent or metastatic gastric/GEJ adenocarcinoma who were refractory or intolerant to previous chemotherapy were enrolled between June 2, 2016, and June 8, 2017. Seven patients (23.3%) demonstrated objective responses, including 1 complete response. The objective response rates for patients with PD‐L1–positive and PD‐L1–negative tumors were 23.1% (3 of 13) and 26.7% (4 of 15), respectively (P = 1.000). Two treatment‐related grade 3 or higher adverse events were reported: one was grade 3 pruritus, and the other (3.3%) was grade 5 interstitial lung disease. All 20 patients tested for the mismatch repair status had mismatch repair–proficient tumors, and the response rate was 30.0% (95% confidence interval, 11.9%‐54.3%). Patients with a higher mutation load (4 of 10) tended to have better responses than those with fewer mutations (2 of 10), but the difference was not significant (P = .628). Patients with a >10% relative increase from the baseline LDH level were more likely to experience disease progression (90% [9 of 10]) than patients with a ≤10% change (40% [8 of 20]; P = .017).

Conclusions

Anti–PD‐1 antibody SHR‐1210 shows encouraging efficacy in patients with advanced gastric/GEJ cancer in China, including mismatch repair–proficient subgroups.
Toward efficient and accurate function‐call graph matching of binary codes
Authors: Huang DongXing , Tang Yong , Wang Yi , Wei ShuNing
Published: December 2018

Reverse engineering, software plagiarism detection, and malware analysis have always been important issues in software and security fields. For a binary code, the function‐call graph (FCG) reflects its capability, structure, and intrinsic relations, which motivates us to study FCG matching and its applications in those problems systematically. In this work, we propose an FCG matching algorithm based on Hungarian algorithm that solves the maximum weight matching problem in polynomial time and makes matching between graphs of large scale possible. Also, optimizations including node pairs pruning and forward matching are proposed to improve the efficiency and accuracy of FCG matching algorithm. Finally, a series of experiments are conducted to show that FCG matching is an effective method and has huge application potentiality in software and security analysis.
Accurate and reliable reversible data hiding using sequential encoding techniques
Authors: Shibu N.V. , Malathi P.
Published: November 2018

Reversible data hiding facilitates images to be authenticated and by eliminating the digital watermark. Histogram Shifting Based Reversible Data Hiding (HSRDH) is presented in the previous research, which aims to decrease the performance with low quality when recreating the images. However, embedding patches could be hacked where it does not concentrate on the security threats. This issue is resolved using Sequential Encoding Based Reversible Data Hiding (SEB‐RDH) method. Here, initially input image is transformed into Haar wavelet using discrete wavelet transform. This wavelet is decomposed by utilizing 1D wavelet transformation; Haar wavelet is processed, and after that, by means of utilizing 2D wavelet transformation, the result of 1D wavelet transformation is decomposed once more. Horizontal coefficients are separated and embedded with the normalized input image. This type of data hiding enlarged the compression size and acts as a guard from the hackers who could not hack the protected data contents. This technique guarantees the enlarged reconstruction image accurateness in the receiver side. It is implemented in Matlab simulation environment, and it is confirmed that the SEB‐RDH displays 15.8% improved PSNR rate after that the previous technique HSRDH and 26.5% improved MSE rate compared with the previous HSRDH technique.
Lightweight reliable and secure multicasting routing protocol based on cross‐layer for MANET
Authors: Sekar S. , Latha B.
Published: December 2018

In multicast routing, there are possibilities of route failures, link failures, node failures, packet losses due to network overloading, collision, and bad channel condition in mobile ad hoc network (MANET). The research article proposes solution for the above mentioned problem by a cross‐layer based lightweight reliable and secure multicast routing protocol for MANET. It consists of totally three phases. The first phase, reliable multicast route discovery is performed. A multicast tree is established and is hierarchically divided into clusters based on the depth of the tree. Then, the cluster heads (CH's) were selected based on residual energy, link stability, and remaining bandwidth, and gateway nodes are chosen depending on their residual energy and packet delivery rate. In phase 2, trust value of each node is estimated and updated depending on each activity. During multicast transmission, the trust values of CH and gateway are checked. If their value is less than a minimum threshold, then they are considered as misbehaved. For protecting the data transmitted from the sender, one‐way hash function based Message Authentication Code (MAC) is used. In phase‐3, bulk data loss recovery is performed at the receiver by applying the Automatic Repeat reQuest (ARQ) and Forward Error Correction (FEC) techniques.
Improvised emotion and genre detection for songs through signal processing and genetic algorithm
Authors: Geetha Ramani R. , Priya K.
Published: December 2018

Musical tunes are bundle of chords representing emotion which impart diverse of genres. Past history highlighted copious amount of research work emotion and genre classification with still increasingly rapid advancement. Music has various emotional forms as happy, sad, anger and fear. Its various genre forms are Classical, Country, Disco, Hip‐hop, Jazz, and Rock. These emotions and genre can be segregated by identifying the frequency of chords notes (swarams in Tamil music). This paper deals with identifying emotions and genre for classical music both western and south Indian classical music, viz, Carnatic music. The music was clipped and segmented to determining frequency of notes using Shortest Fast Fourier Transformation (STFT). Music features such as mel frequency, pitch beat, zero crossing rate, and spectral centroid were derived from the obtained frequency. Based on the audio features, emotion and genre were identified for the given data set with genetic algorithm as a classification technique. The MIREX‐Mood classification dataset was considered for listing out emotions. The songs from Million song data set and emotion classification repository were considered as ground truth for western classical music and group of Illayaraja Tamil film songs was considered to identify Carnatic music emotions. The classification was done using genetic algorithm. Mel frequency, pitch, and zero crossing rate were considered as individual representations to get best fit ratio and it is found to give accuracy percentage of 99.03%.
Inelastic Neutron Scattering Intensities of Ferromagnetic Cluster Spin Waves
Authors: Prša Krunoslav , Waldmann Oliver
Published: December 2018

Inelastic neutron scattering (INS) is the key method for studying magnetic spectra. For ferromagnetic molecular nanomagnets the ferromagnetic cluster spin wave theory (FCSWT) exactly describes the low‐energy excitations from the ferromagnetic ground state. We provide a procedure starting from these molecular spin wave modes and ending with the experimentally observable INS spectra. The formulas for powder and single‐crystal spectra of isotropic and anisotropic ferromagnetic molecules are given. The INS interference pattern can be written in terms of “basis functions” fixed by the molecular geometry. We argue that this decomposition explicates the INS data when the spin wave modes are known and, vice versa, suggests a method to directly determine the quantum wavefunctions of the spin wave excitations based on the INS interference pattern. The calculation of INS observables is exemplified on three molecules: the Mn7 disc, the Mn10 supertetrahedron, and the Mn6 single molecule magnet.
Synthesis of Nb2O5 Nanoplates and their Conversion into NbO2F Nanoparticles by Controlled Fluorination with Molecular Fluorine
Authors: Ullah Hameed , Guerin Katia , Bonnet Pierre
Published: December 2018

Following a synthesis protocol developed by us, nanoparticles of NbO2F were prepared for the very first time by the gas‐solid type fluorination of hexagonal‐shaped niobium pentoxide (Nb2O5) nanostructures with molecular fluorine (F2). The optimized fluorination parameters, like F2 pressure, gas‐solid reaction temperature, and duration, were very crucial for successful synthesis of the desired NbO2F nanomaterial. The hexagonal‐shaped Nb2O5 nanoplates were synthesized in a previous step by a hydrothermal method. The oxide to oxyfluoride transformation protocol is highly efficient, giving single‐phase NbO2F in the cubic crystal system, as confirmed by powder X‐ray diffraction (XRD) and energy dispersive X‐ray spectroscopy (EDX). The structures of Nb2O5 nanoplates and NbO2F nanoparticles were also characterized by vibrational spectroscopy (FTIR and Raman scattering). The morphologies of the materials were studied by transmission and scanning electron microscopy (T/SEM), which revealed that the hexagonal‐shaped plates of Nb2O5 disintegrated into nanoparticles with an approximate size of 27 nm upon fluorination to provide NbO2F. The lithiation and sodiation ability of nanostructured NbO2F is established with relevant electrochemical properties.
Structural Investigation of Thiourea Dioxide in Superacids
Authors: Leitz Dominik , Nitzer Alexander , Morgenstern Yvonne , Zischka Florian , Kornath Andreas J.
Published: December 2018

In this study a vibrational spectroscopic investigation of thiourea dioxide [(H2N)2CSO2] in the superacidic systems XF/MF5 (X = H, D; M = As, Sb) as well as HF/GeF4 is presented. The formed salts [(X2N)2CS(OX)2]2+2[MF6]– are characterized by low temperature vibrational spectroscopy. In the case of 2[(H2N)2CS(OH)2]2+[Ge4F20]4–·4HF a single‐crystal X‐ray structure is reported. The salt crystallizes in the triclinic space group P1 with one formula unit per unit cell. The results are discussed together with quantum‐chemical calculations at the PBE1PBE/6‐311G++(3df, 3pd) level of theory.
Metal‐Free Visible‐Light Photocatalytic Tandem Radical Addition–Cyclization Strategy for the Synthesis of Sulfonyl‐Containing Isoquinolinediones
Authors: Zuo Kai‐Li , He Yan‐Hong , Guan Zhi
Published: December 2018

A mild radical cascade reaction for the synthesis of sulfonyl‐containing isoquinolinediones has been developed, in which sulfonyl radicals can be accessed from simple sodium sulfinates under visible light and eosin Y catalysis. This tandem approach features a broad range of substrates and functional group tolerance. With this strategy, trifluoromethylated isoquinolinedione was also obtained.
What do you expect? Catastrophizing mediates associations between expectancies and pain‐facilitatory processes
Authors: Carriere Junie S. , Martel Marc Olivier , Meints Samantha M. , Cornelius Marise C. , Edwards Robert R.
Published: December 2018

Background

Pain expectancies are associated with altered pain sensitivity in individuals with chronic pain. However, little is known about the processes by which pain expectancies impact pain processing. This study assessed the association between pain expectancies and temporal summation (TS) of pain, and examined whether pain catastrophizing mediated this association.

Methods

In this cross‐sectional study, participants (437 chronic low back pain [CLBP] patients, 115 controls) completed self‐report measures of pain intensity, pain expectancies and pain catastrophizing before undergoing psychophysical pain‐testing procedures designed to assess mechanical TS of mechanical pain. Pearson's correlations examined the associations between study variables in CLBP patients and controls. Bootstrapping mediation analyses assessed the mediating role of pain catastrophizing on the association between pain expectancies and TS of pain.

Results

Temporal summation of pain was significantly associated with pain expectancies (r = 0.113) and pain catastrophizing (r = 0.171) in CLBP patients. Results of mediation analyses revealed that pain catastrophizing mediated the relationship between pain expectancies and TS of pain in CLBP patients (ab = 0.309, 95% CI = 0.1222–0.5604), but not in healthy controls (ab = −0.125, 95% CI = −0.5864 to 0.0244).

Conclusions

The findings from this study suggest that compared to controls, CLBP patients show increased sensitivity to mechanical pain procedures and enhanced pain‐facilitatory processing, proving further evidence for changes in central nervous system pain processing in CLBP patients. Our results also suggest that pain catastrophizing may be the mechanism by which pain expectancies are associated with TS of pain in CLBP patients.

Significance

Individuals with chronic low back pain who expect higher levels of pain and catastrophize about their pain are more likely to experience altered pain sensitivity. Our results point to catastrophizing as a mechanism of action through which psychological factors may operate and lead to the development and maintenance of chronic low back pain.
Conceptual seismic design in performance‐based earthquake engineering
Authors: O'Reilly Gerard J. , Calvi Gian Michele
Published: December 2018

A principal aspect of seismic design is the verification of performance limit states, which help ensure satisfactory behaviour within a performance‐based earthquake engineering framework. However, it is increasingly acknowledged that while ensuring life safety is a suitable basic design requirement, more meaningful metrics of seismic performance exist. Expected annual loss (EAL) has gained attention in recent years but tends to be limited to seismic assessment. This article proposes a novel conceptual design framework that employs EAL as a design tool and requires very little building information at the design outset. This means that designers may commence from a definition of required EAL and arrive at a number of feasible structural solutions without the need for any detailed design calculations or numerical analysis. This works by transforming the building performance definition to a design solution space using a number of simplifying assumptions. A suitable structural response backbone is subsequently determined and used to identify feasible building typologies and associated structural geometries. The assumptions made to implement such a conceptual design framework are discussed and justified herein followed by a case study application. This proposed design framework is intended to form the first step in seismic design to identify suitable typologies and layouts before subsequent member detailing and design verification. This way, engineers, architects, and clients can make more informed decisions that target certain performance goals at the beginning of design before further refinement.
Recent lake expansion triggered the adaptive radiation of freshwater snails in the ancient Lake Biwa
Authors: Miura Osamu , Urabe Misako , Nishimura Tomohiro , Nakai Katsuki , Chiba Satoshi
Published: November 2018

Lake expansion that leads to the formation of new habitats has potential to drive intralacustrine diversification. The ancient Lake Biwa in central Japan has historically experienced substantial changes in the lake size, and it provides a useful system for evaluating the role of lake-size fluctuations in the diversification of endemic fauna. Here, we used genome-wide DNA analyses and reconstructed the diversification history of the endemic freshwater snails belonging to the subgenus Biwamelania with respect to the geological history of Lake Biwa. We found that two genetically distinct snail lineages independently colonized Lake Biwa and they concurrently and rapidly radiated into 15 extant Biwamelania species. A combination of paleontological evidence and molecular dating technique demonstrated that the radiation of Biwamelania was tightly linked to the latest enlargement of the lake about 0.4 million years ago and suggested that increased ecological opportunity associated with the lake expansion drove the rapid adaptive radiation. We propose that the Biwamelania snails in Lake Biwa offer a promising new system for understanding the association between the geological history of the lake and rapid intralacustrine diversification.
Perceptions of college students in consuming whole grain foods made with Brewers’ Spent Grain
Authors: Combest Shannon , Warren Cynthia
Published: November 2018

One‐third of all food produced for human consumption is wasted producing landfill accumulation and greenhouse gas emissions. Brewers’ Spent Grains (BSGs) are the leftover grains from beer production, and each year approximately 30 million tons of BSG is generated globally by the brewing industry. Reclaiming BSG as a potential human food source is an opportunity for reducing food waste in the food supply chain. Six focus groups were conducted using 37 college students to determine their consumption of whole grains, perceptions of whole grains versus refined grains, and interest in or barriers related to consuming and purchasing foods made with BSG. Focus groups were transcribed verbatim and analyzed using constant comparative analysis to identify themes and discover relationships among the study aims. Thirteen themes emerged from focus group discussions with Concept of Health, Sensory, and Experience with BSG representing the top three discussed. Participants believed whole grains are healthier and contain more nutrients than refined grains. Most participants enjoyed the BSG foods provided; however, some noted a darker appearance and lingering fiber particles or aftertaste. Findings indicate participants who are hereditary whole grain consumers are acculturated to whole grain sensory attributes and nutritional benefits and would be more receptive to consuming BSG foods in future studies. We concluded most focus group participants were open to tasting BSG foods, but hereditary whole grain consumers should be the target consumer audience, and educating consumers on sensory attributes, potential health benefits, and environmental benefits is necessary to overcome the barriers associated with BSG.
Archaeometric characterization of Iron Age indigenous pottery from the staggered turriform of Son Ferrer, Mallorca, Spain
Authors: Cau Ontiveros Miguel Ángel , Fantuzzi Leandro , Albero Santacreu Daniel , Tsantini Evanthia , García Rosselló Jaime , Calvo Trias Manuel
Published: December 2018

This paper examines indigenous ceramic production at the Iron Age site of Son Ferrer in Western Mallorca in the Balearic Islands (Western Mediterranean) through archaeometric characterization using chemical and mineropetrographic techniques. Results show an important shift in ceramic production through time. The Late Iron Age (Post‐Talaiotic) pottery found at the site reflects the coexistence of various technological recipes for making pots, in comparison with a more homogeneous ceramic tradition during the Talaiotic period (ca. 850–550 B.C.). This diversified and poorly standardized production is interpreted in association with changes in the system of knowledge transmission among artisans, which in the Post‐Talaiotic period (ca. 550–50 B.C.) was restricted to low‐scale household production. The variability observed demonstrates differences in the use of natural resources for pottery making at a regional scale, as well as the interaction among various social groups in the area. Overall, the increased diachronic variability observed in the pottery deposited in the staggered turriform of Son Ferrer points to a change in the social role played by this archaeological site in the Post‐Talaiotic period.
An integrated approach to understanding the depositional environment and organic matter enrichment factor in Carboniferous source rocks, Junggar Basin, NW China
Authors: Tao Huifei , Qiu Zhen , Ji Hongjie , Qiu Junli , Allen Mark B.
Published: December 2018

Multiple indicators (trace fossils, trace metals, and δ13Corg) are used to assess the depositional environments and controls on organic carbon accumulation in the Lower Carboniferous Nanmingshui Formation, Junggar Basin, NW China. The majority of trace fossils belong to the Nereites ichnofacies, representing low energy, oxygen‐poor, and relatively quiet bottom water environments. However, the shallow water trace fossil Planolites also appears in the strata, possibly reflecting variations in the bottom water oxygen contents of the turbidite succession. Redox proxies Th/U, V/Sc, and V/(V + Ni) reveal variable redox conditions; most of the samples are in the range from suboxic to anoxic depositional conditions. Ni and Cu show a positive correlation with TOC, but U and V have no correlation with TOC, also suggesting the redox conditions were mainly suboxic. The P/Al and Cu/Al ratios of all samples are higher than those of Post‐Archean Australian Shales (PAAS), and about two‐thirds of the samples' Ba/Al and Ni/Al ratios are close to or higher than PAAS, suggesting the Early Carboniferous Junggar Basin had relatively high palaeo‐productivity levels. δ13Corg values average − 23.75‰, reflecting a mixture of terrestrial organic and marine organic matter. The indexes of Ba/Al, Cu/Al, Ni/Al, and δ13Corg show good positive correlations with TOC, indicating the palaeo‐productivity played an important role for the organic matter accumulation. On the other hand, the TOC correlates inversely with redox proxies (Th/U, V/Sc, and V/(V + Ni)), suggesting the preservation conditions (anoxia) are not the control factor of organic matters accumulation. Using these multiple approaches, our results indicate that productivity was the primary factor controlling organic matter accumulation.
Investigation of platelet‐rich plasma in increasing proliferation and migration of endometrial mesenchymal stem cells and improving pregnancy outcome of patients with thin endometrium
Authors: Wang Xiaohan , Liu Ling , Mou Shanmao , Zhao Huishan , Fang Jianye , Xiang Yanjie , Zhao Tong , Sha Tongye , Ding Jie , Hao Cuifang
Published: December 2018

Background

Platelet‐rich plasma (PRP) contains abundant growth factors and is gradually used in the field of reproduction. A thin endometrium is recognized as a critical factor in embryo implantation failure. Endometrial mesenchymal stem cells (EnMSCs), which were isolated from human menstrual blood, are highly proliferative and show multiple differentiation capacity. The current study was to investigate the effect of PRP on the proliferation and migration of EnMSCs, and the effectiveness of PRP in the treatment of patients with thin endometrium.

Materials and Methods

EnMSCs were treated with PRP in vitro, followed by measuring cell proliferation, migration, and adhesion by using CCK8, scratch, and adhesion test, respectively. Twenty patients undergoing in vitro fertilization (IVF) with refractory thin endometrium history were given PRP by infusion into the uterine cavity after the treatment of hormone replacement therapy (HRT).

Results

All components of PRP significantly stimulated the growth, migration, and adhesion of EnMSCs when compared with the negative control. Cell proliferation and migration were induced by PRP in a dose‐dependent manner with maximum proliferation at a 2% PRP dose. The clinical data showed that successful endometrial expansion and pregnancy were discovered in 12 patients after PRP infusion, and the pregnancy rate increased to 60%.

Conclusion

Intrauterine PRP infusion represents a new way for female patients with thin endometrium with poor response. This study lays the foundations for the potential treatment of thin endometrium with PRP in vivo.
Asymmetric dimethylarginine targets MAPK pathway to regulate insulin resistance in liver by activating inflammation factors
Authors: Huang Shan , Xu Yong , Peng Wen‐Fang , Cheng Jie , Li Hui‐Hua , Shen Li‐Sha , Xia Li‐Li
Published: December 2018

Insulin resistance is associated with impaired glucose uptake and altered protein kinase B (Akt) signaling. Previous studies have suggested asymmetric dimethylarginine (ADMA) and inflammation are two distinguish factors that correlate with insulin resistance (IR). How ADMA and inflammation factors interact and synchronize in the regulation of IR in liver remain to be elucidated. In this study, we systematically investigated whether ADMA is involved in IR using primary hepatocytes, if yes, by via which molecular mechanism. Our results demonstrated that ADMA inhibits insulin sensitivity in a concentration‐dependent manner by activating inflammation factors tumor necrosis factor (TNF)‐α, interleukin (IL)‐1, and IL‐6 in primary hepatocytes. Further analysis revealed that mitogen‐activated protein kinase (MAPK) signaling pathway act downstream of ADMA and inflammation factors, and inhibition of MAPK pathway rescued the IR. Furthermore, metformin effects has been found which could reverse ADMA‐induced IR by suppressing MAPK signaling pathway. To our knowledge, we, for the first time, unveiled the complicated regulatory network and interactions among ADMA, inflammation, and MAPK signaling pathway, which advanced current research on the development and regulation of IR in liver. This study also certainly provided novel insights on comprehensive diagonistics roles of ADMA as a potential biomarker.
Shared KEGG pathways of icariin‐targeted genes and osteoarthritis
Authors: Liu Yi , Mi Bobin , Lv Huijuan , Liu Jing , Xiong Yuan , Hu Liangcong , Xue Hang , Panayi Adriana C. , Liu Guohui , Zhou Wu
Published: December 2018

The beneficial effects of icariin in the management of many diseases, such as chronic renal failure and heart failure, are well known. Icariin has also been shown to ameliorate osteoarthritis (OA) symptoms; however, the underlying mechanisms remain unclear. In this study, a bioinformatics analysis was performed to investigate the KEGG pathways of icariin‐targeted genes involved in OA. Our study suggests that icariin plays a role in OA by regulating inflammatory cytokine production, insulin resistance, and cell survival through modulation of the NF‐κB, MAPK, and Akt signaling pathways. Importantly, IKBKB, NFKBIA, MAPK8, MAPK9, and MAPK10 may be the hub genes affected by icariin when providing its beneficial effects on OA. In addition, we found that icariin decreases proinflammatory factors and inhibits chondrocyte apoptosis through suppression of the NF‐κB pathway. Our study highlights a set of KEGG pathways that could explain the molecular mechanism of icariin's action on OA, suggesting that icariin could be considered as a promising therapeutic option for OA.