bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Closed Metallomolecular Cage that can Open its Aperture by Disulfide Exchange
Authors: Akine Shigehisa , Miyashita Masato , Nabeshima Tatsuya 
Published: December 2018

AbstractA 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

AbstractLigands 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

AbstractA 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

AbstractThe 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.
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

AbstractBackgroundIn 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.MethodsUsing 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.ResultsThe 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.ConclusionsLongitudinal, 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

BackgroundThe 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.MethodsThis 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.ResultsThirty 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).ConclusionsAnti–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

SummaryReverse 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

SummaryReversible 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

SummaryIn 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

SummaryMusical 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%.
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

AbstractBackgroundPain 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.MethodsIn 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.ResultsTemporal 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).ConclusionsThe 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.SignificanceIndividuals 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

SummaryA 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

AbstractLake 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

AbstractOne‐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

AbstractThis 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.