bluuebunny/crossref_metadata_2025 huggingface dataset:
Deflected propagation of a coronal mass ejection from the corona to interplanetary space
Authors: Wang Yuming , Wang Boyi , Shen Chenglong , Shen Fang , Lugaz Noé
Published: June 2014

Among various factors affecting the space weather effects of a coronal mass ejection (CME), its propagation trajectory in the interplanetary space is an important one determining whether and when the CME will hit the Earth. Many direct observations have revealed that a CME may not propagate along a straight trajectory in the corona, but whether or not a CME also experiences a deflected propagation in the interplanetary space is a question, which has never been fully answered. Here by investigating the propagation process of an isolated CME from the corona to interplanetary space during 12–19 September 2008, we present solid evidence that the CME was deflected not only in the corona but also in the interplanetary space. The deflection angle in the interplanetary space is more than 20° toward the west, resulting a significant change in the probability the CME encounters the Earth. A further modeling and simulation‐based analysis suggests that the cause of the deflection in the interplanetary space is the interaction between the CME and the solar wind, which is different from that happening in the corona.
Centennial variations in sunspot number, open solar flux and streamer belt width: 3. Modeling
Authors: Lockwood M. , Owens M. J.
Published: June 2014

From the variation of near‐Earth interplanetary conditions, reconstructed for the mid‐19th century to the present day using historic geomagnetic activity observations, Lockwood and Owens (2014) have suggested that Earth remains within a broadened streamer belt during solar cycles when the Open Solar Flux (OSF) is low. From this they propose that the Earth was immersed in almost constant slow solar wind during the Maunder minimum (c. 1650–1710). In this paper, we extend continuity modeling of the OSF to predict the streamer belt width using both group sunspot numbers and corrected international sunspot numbers to quantify the emergence rate of new OSF. The results support the idea that the solar wind at Earth was persistently slow during the Maunder minimum because the streamer belt was broad.
A comparative study of sea level reconstruction techniques using 20 years of satellite altimetry data
Authors: Strassburg M. W. , Hamlington B. D. , Leben R. R. , Kim K.‐Y.
Published: June 2014

Sea level reconstructions extend spatially dense data sets, such as those from satellite altimetry, by decomposing the data set into basis functions and fitting those functions to in situ tide gauge measurements with a longer temporal record. We compare and evaluate two methods for reconstructing sea level through an idealized study. The compared sea level reconstruction methods differ in the technique for calculating basis functions, i.e., empirical orthogonal functions (EOFs) versus cyclostationary EOFs (CSEOFs). Reconstructions are created using Archiving, Validation, and Interpretation of Satellite Oceanographic (AVISO) satellite altimetry data and synthetic tide gauges. Synthetic tide gauge records are simulated using historical distributions and real high‐frequency signal to test reconstruction skill. The CSEOF reconstructions show high skill in reproducing variations in global mean sea level (GMSL) and ocean climate indices, and are affected less by both limited tide gauge distribution and added high‐frequency tide gauge signal than EOF reconstructions. Typically, CSEOF reconstructions slightly underestimate sea level amplitudes while EOF reconstructions overestimate sea level amplitudes, in some cases, significantly. Both of these results are accentuated with decreasing quality of the synthetic tide gauge data set. Additionally, we investigate how the reconstructions differ when reconstructing with more of the variance retained in the basis functions. Increasing the variance explained by the basis functions from 70% to 90% reduces the efficacy of an EOF reconstruction to reproduce common ocean indices when noise is included in the tide gauge data sets. These results show that in the idealized comparative cases examined the CSEOF method of sea level reconstruction creates more robust reconstructions, especially when less than ideal tide gauge data are used.
Snow depth of the Weddell and Bellingshausen sea ice covers from IceBridge surveys in 2010 and 2011: An examination
Authors: Kwok R. , Maksym T.
Published: June 2014

We examine the snow radar data from the Weddell and Bellingshausen Seas acquired by eight IceBridge (OIB) flightlines in October of 2010 and 2011. In snow depth retrieval, the sidelobes from the stronger scattering snow‐ice (s‐i) interfaces could be misidentified as returns from the weaker air‐snow (a‐s) interfaces. In this paper, we first introduce a retrieval procedure that accounts for the structure of the radar system impulse response followed by a survey of the snow depths in the Weddell and Bellingshausen Seas. Limitations and potential biases in our approach are discussed. Differences between snow depth estimates from a repeat survey of one Weddell Sea track separated by 12 days, without accounting for variability due to ice motion, is −0.7 ± 13.6 cm. Average snow depth is thicker in coastal northwestern Weddell and thins toward Cape Norvegia, a decrease of >30 cm. In the Bellingshausen, the thickest snow is found nearshore in both Octobers and is thickest next to the Abbot Ice Shelf. Snow depth is linearly related to freeboard when freeboards are low but diverge as the freeboard increases especially in the thicker/rougher ice of the western Weddell. We find correlations of 0.71–0.84 between snow depth and surface roughness suggesting preferential accumulation over deformed ice. Retrievals also seem to be related to radar backscatter through surface roughness. Snow depths reported here, generally higher than those from in situ records, suggest dissimilarities in sample populations. Implications of these differences on Antarctic sea ice thickness are discussed.
BLAST
Algorithm
Authors: Altschul Stephen F
Published: June 2014

BLAST is an acronym for ‘Basic Local Alignment Search Tool’. Members of the BLAST family of database search programs take as input a query
deoxyribonucleic acid (DNA)
or protein sequence, and search a DNA or protein sequence database for similarities that may indicate homology. The programs implement variations of the BLAST algorithm, which is a heuristic method for rapidly finding local alignments with scores sufficiently high to be statistically significant. The BLAST algorithm first seeks near‐perfect matches to words within a query sequence, and then extends these matches to determine whether they are contained within longer, high‐scoring local alignments. BLAST approximates the rigorous Smith–Waterman local alignment algorithm; it permits a chance of missing weak sequence similarities in exchange for greatly increased speed.

Key Concepts:

Local sequence alignment is used for similarity searches of sequence databases.

The Smith–Waterman algorithm is a rigorous dynamic programming method for finding optimal local alignments.

BLAST is a fast, heuristic approximation to the Smith–Waterman algorithm.

An analytic theory describes the optimal scores of ungapped local alignments.

The statistical parameters for BLAST's gapped local alignments are precomputed by random simulation.

Very efficient algorithms exist for finding perfect or near‐perfect word matches.

BLAST finds weak local alignments if they contain near‐perfect word matches.

BLAST provides a trade‐off between speed and the probability of missing statistically significant alignments.

A variety of specialized BLAST programs are adapted to searching DNA or protein sequence databases with DNA or protein query sequences.

PSI‐BLAST increases the sensitivity of protein database searches by constructing a protein profile from the results of a regular BLAST search.
Long Noncoding
RNA
s and Cancer
Authors: Garzon Ramiro , Ranganathan Parvathi
Published: June 2014

Long noncoding RNAs (lncRNAs), products of pervasive transcription of the human genome, have emerged as important epigenetic regulators of cancer development and progression. LncRNAs, with transcript size ranging from 200 bp to 100 Kb, perform a diverse array of biological roles including chromatin modification, pre‐ and post‐transcriptional regulation, control of cell division, cell‐cycle growth and proliferation and imprinting. They exhibit cell‐specific expression patterns as well as restricted subcellular distribution, and have shown to play a role in multiple cancers such as cancers of the breast, pancreas, liver, lung and colon. Owing to the role they play in cancer initiation and progression, they have emerged as a new class of prognostic indicators, markers of chemotherapy response and finally show promise as targeted therapy against cancer. This article explores the characteristics of lncRNAs, function and association with multiple cancers and highlights the recent progress made on these new molecules especially with respect to cancer.

Key Concepts:

Long noncoding RNAs are a new class of epigenetic regulatory molecules that are actively transcribed from the human genome.

Involved in multiple biological functions including imprinting, transcriptional and post‐transcriptional regulation of gene expression, cell growth, proliferation and differentiation.

Dysregulation of lncRNA observed in multiple cancer types, involved in cancer progression and metastasis.

LncRNAs can serve as biomarkers, prognostic indicators and predictors of chemotherapy response.

Attractive targets for a new group of targeted therapy.
Punishment and Age
Authors: Wood Mary E. , Salekin Karen L. , Allen Rebecca S.
Published: June 2014

In a landmark decision, the Supreme Court of the United States (SCOTUS) banned the execution of offenders who were under the age of 18 at the time of their offense. In their 5–4 opinion, the Court stated that there had been a growing national consensus against the death penalty for youthful offenders, and noted their belief that these offenders were less culpable for their actions because of deficits in decision‐making ability, impulse control, and maturity. Of interest, in 2006, the Court declined to hear a case that addressed the constitutionality of the death penalty for aged prisoners (i.e.,Allen v. Ornoski). For many years, it has been recognized that the process of aging is associated with changes in cognitive abilities that may negatively impact flexibility of thought, perspective taking, decision making, and memory. It can be readily seen that these deficits, like those associated with youth, may put the aged prisoner in a position in which the imposition of capital punishment is in violation of the Eighth Amendment of the United States Constitution. To date, however, this issue has not been heard by the High Court.
Metalloprotein Design and Engineering
Authors: Chakraborty Saumen , Hosseinzadeh Parisa , Lu Yi
Published: June 2014

This article covers recent advances in metalloprotein design, focusing on different approaches to their design. Impressive progress has been made in designing metal‐binding sites in peptides,de novodesigned proteins, and native protein scaffolds. The design approach can be rational or combinatorial. Under rational design, redesigning an existing metal‐binding site to a new site with dramatically different structure and function complements well the design of new metal‐binding sites by revealing the role of specific residues responsible for a particular structural or functional feature of the metal‐binding site of interest. To create a new metal‐binding site, several approaches have been used, including design based on structural homology, by inspection, using automated computer search algorithms, or combination of the above approaches. In addition, a modular approach involving transplanting a conserved structural unit from one protein into another has also been shown to be effective. Design through combinatorial and evolutionary methods has also been successful, as it requires little prior knowledge of the protein structure. Finally, introducing unnatural amino acids or nonnative metal ions/prosthetic groups to expand the repertoires of metalloproteins has been demonstrated. Successful examples of each of the approaches are given, advantages and disadvantages of the approaches are discussed, and the outlook for future research is also presented.
Metal‐Dependent Polysaccharide Deacetylase
PgaB
Authors: Little Dustin J , Bamford Natalie C , Nitz Mark , Howell P Lynne
Published: June 2014

PgaB is a two‐domain protein responsible for the de‐
N
‐acetylation of poly(β‐1,6‐
N
‐acetyl‐
d
‐glucosamine) (
PNAG
). Many bacteria use deacetylated
PNAG
(
dPNAG
) as a key extracellular matrix component. De‐
N
‐acetylation is a required modification for polymer export and biofilm formation in
Escherichia coli
. The N‐terminal domain adopts a (β/α)
7
fold common to the CAZy family‐4 carbohydrate esterases, and exhibits low levels of de‐
N
‐acetylation activity on
PNAG
oligomers. The de‐
N
‐acetylase active site contains an Asp‐His‐His metal coordination site that can bind various divalent metal cations but has optimal activity with Co
2+
, Ni
2+
, and Fe
2+
. The C‐terminal domain of PgaB adopts a (β/α)
8
fold that is structurally similar to glycoside hydrolases. This domain is proposed to bind
PNAG
as attempts to display hydrolytic activity have been unsuccessful, but the domain is required for de‐
N
‐acetylation in vivo. Here, we summarize recent advances in the functional characterization of PgaB: the structure, metal specificity, and progress toward inhibitor design.
Extremely High Yield Conversion from Low‐Cost Sand to High‐Capacity Si Electrodes for Li‐Ion Batteries
Authors: Yoo Jung‐Keun , Kim Jongsoon , Choi Min‐Jae , Park Young‐Uk , Hong Jihyun , Baek Kwang Min , Kang Kisuk , Jung Yeon Sik
Published: June 2014

Although magnesiothermic reduction has attracted immense attention as a facile route for the fabrication of mass‐scale Si nanostructures for high‐capacity lithium‐ion battery applications, its low conversion yield (<50%) and the discovery of a sustainable and low‐cost precursor remain challenging. Here, an unprecedentedly high final conversion yield (>98%) of magnesiothermic reduction based on control of reaction pressure is reported. The successful use of sand as a nearly infinite and extremely low‐cost source for the high‐yield fabrication of nanostructured Si electrodes for Li‐ion batteries is demonstrated. On the basis of a step‐by‐step analysis of the material's structural, morphological, and compositional changes, a two‐step conversion reaction mechanism is proposed that can clearly explain the phase behavior and the high conversion yield. The excellent charge–discharge performance (specific capacities over 1500 mAh g‐1 for 100 cycles) of the hierarchical Si nanostructure suggests that this facile, fast, and high‐efficiency synthesis strategy from ultralow‐cost sand particles provides outstanding cost‐effectiveness and possible scalability for the commercialization of Si electrodes for energy‐storage applications.
Neanderthal infant and adult infracranial remains from Marillac (Charente, France)
Authors: Dolores Garralda María , Maureille Bruno , Vandermeersch Bernard
Published: June 2014

At the site of Marillac, near the Ligonne River in Marillac‐le‐Franc (Charente, France), a remarkable stratigraphic sequence has yielded a wealth of archaeological information, palaeoenvironmental data, as well as faunal and human remains. Marillac must have been a sinkhole used by Neanderthal groups as a hunting camp during MIS 4 (TL date 57,600 ± 4,600BP), where Quina Mousterian lithics and fragmented bones of reindeer predominate. This article describes three infracranial skeleton fragments. Two of them are from adults and consist of the incomplete shafts of a right radius (Marillac 24) and a left fibula (Marillac 26). The third fragment is the diaphysis of the right femur of an immature individual (Marillac 25), the size and shape of which resembles those from Teshik‐Tash and could be assigned to a child of a similar age. The three fossils have been compared with the remains of other Neanderthals or anatomically Modern Humans (AMH). Furthermore, the comparison of the infantile femora, Marillac 25 and Teshik‐Tash, with the remains of several European children from the early Middle Ages clearly demonstrates the robustness and rounded shape of both Neanderthal diaphyses. Evidence of peri‐mortem manipulations have been identified on all three bones, with spiral fractures, percussion pits and, in the case of the radius and femur, unquestionable cutmarks made with flint implements, probably during defleshing. Traces of periostosis appear on the fibula fragment and on the immature femoral diaphysis, although their aetiology remains unknown. Am J Phys Anthropol 155:99–113, 2014. © 2014 Wiley Periodicals, Inc.
An investigation of the use of discriminant analysis for the classification of blade edge type from cut marks made by metal and bamboo blades
Authors: Bonney Heather
Published: June 2014

Analysis of cut marks in bone is largely limited to two dimensional qualitative description. Development of morphological classification methods using measurements from cut mark cross sections could have multiple uses across palaeoanthropological and archaeological disciplines, where cutting edge types are used to investigate and reconstruct behavioral patterns. An experimental study was undertaken, using porcine bone, to determine the usefulness of discriminant function analysis in classifying cut marks by blade edge type, from a number of measurements taken from their cross‐sectional profile. The discriminant analysis correctly classified 86.7% of the experimental cut marks into serrated, non‐serrated and bamboo blade types. The technique was then used to investigate a series of cut marks of unknown origin from a collection of trophy skulls from the Torres Strait Islands, to investigate whether they were made by bamboo or metal blades. Nineteen out of twenty of the cut marks investigated were classified as bamboo which supports the non‐contemporaneous ethnographic accounts of the knives used for trophy taking and defleshing remains. With further investigation across a variety of blade types, this technique could prove a valuable tool in the interpretation of cut mark evidence from a wide variety of contexts, particularly in forensic anthropology where the requirement for presentation of evidence in a statistical format is becoming increasingly important. Am J Phys Anthropol 154:575–584, 2014. © 2014 Wiley Periodicals, Inc.
Frontoparietal cognitive control of verbal memory recall in Alzheimer's disease
Authors: Dhanjal Novraj S. , Wise Richard J. S.
Published: June 2014

Objective

Episodic memory retrieval is reliant upon cognitive control systems, of which 2 have been identified with functional neuroimaging: a cingulo‐opercular salience network (SN) and a frontoparietal executive network (EN). In Alzheimer's disease (AD), pathology is distributed throughout higher‐order cortices. The hypotheses were that this frontoparietal pathology would impair activity associated with verbal memory recall; and that central cholinesterase inhibition (ChI) would modulate this, improving memory recall.

Methods

Functional magnetic resonance imaging was used to study normal participants and 2 patient groups: mild cognitive impairment (MCI) and AD. Activity within the EN and SN was observed during free recall of previously heard sentences, and related to measures of recall accuracy.

Results

In normal subjects, trials with reduced recall were associated with greater activity in both the SN and EN. Better recall was associated with greater activity in medial regions of the default mode network. By comparison, AD patients showed attenuated responses in both the SN and EN compared with either controls or MCI patients, even after recall performance was matched between groups. Following ChI, AD patients showed no modulation of activity within the SN, but increased activity within the EN. There was also enhanced activity within regions associated with episodic and semantic memory during less successful recall, requiring greater cognitive control.

Interpretation

The results indicate that in AD, impaired responses of cognitive control networks during verbal memory recall are partly responsible for reduced recall performance. One action of symptom‐modifying treatment is partially to reverse the abnormal function of frontoparietal cognitive control and temporal lobe memory networks. Ann Neurol 2014;76:241–251
Mechanistic Study of Gold(I)‐Catalyzed Hydroamination of Alkynes: Outer or Inner Sphere Mechanism?
Authors: Zhdanko Alexander , Maier Martin E.
Published: June 2014

An experimental mechanistic study of the gold(I)‐catalyzed hydroamination shows the formation of conformationally flexible auro‐iminium salts Au‐Im, which originate from the protonation of a vinyl gold species. Rotation around the CCAu bond is the reason for the loss of stereospecificity of protodeauration, which explains the stereochemical result of the Stradiotto reaction. The ambiguity about inner or outer sphere mechanism is thus resolved in favor of the outer sphere mechanism.
Detektion von 5‐Methylcytosin in unbehandelter genomischer DNA durch Polymerasekettenreaktion
Authors: Aschenbrenner Joos , Drum Matthias , Topal Hüsnü , Wieland Markus , Marx Andreas
Published: June 2014

Methylierung von Cytosin zu 5‐Methylcytosin (5mC) dient der epigenetischen Kontrolle der Gentranskription in Säugetieren und hat direkte Auswirkungen auf die Entwicklung und Pathogenese des Menschen. Insbesondere die Diagnose und Prognostik von Krebspatienten profitierte in den letzten Jahren enorm von der Entwicklung neuer Methoden zur Analyse von DNA‐Methylierungsmustern. Wir zeigen hier, dass zwei hitzestabile DNA‐Polymerasen – die DNA‐Polymerase KlenTaq aus Thermus aquaticus und die KOD‐DNA‐Polymerase aus Thermococcus kodakaraensis – 3′‐fehlgepaarte Oligonukleotid‐Primer gegenüber 5mC effektiver verlängern als gegenüber nichtmethyliertem C. Wir konnten außerdem eine DNA‐Polymerase‐Mutante mit weiter verbesserter 5mC/C‐Diskriminierung erzeugen. Diese Mutante wurde erfolgreich in einer neuartigen 5mC‐Detektierungsmethode eingesetzt, die es ermöglicht, den Methylierungszustand eines Cytosins direkt durch PCR von unbehandelter genomischer DNA zu bestimmen.
Formal [4+2]‐Annulation of Vinyl Azides with N‐Unsaturated Aldimines
Authors: Zhu Xu , Wang Yi‐Feng , Zhang Feng‐Lian , Chiba Shunsuke
Published: June 2014

Highly functionalized quinolines and pyridines could be synthesized by BF3⋅OEt2‐mediated reactions of vinyl azides with N‐aryl and N‐alkenyl aldimines, respectively. The reaction mechanism could be characterized as formal [4+2]‐annulation, including unprecedented enamine‐type nucleophilic attack of vinyl azides to aldimines and subsequent nucleophilic cyclization onto the resulting iminodiazonium ion moieties.
Protein expression of various hepatic uridine 5′‐diphosphate glucuronosyltransferase (UGT) enzymes and their inter‐correlations: a meta‐analysis
Authors: Achour Brahim , Rostami‐Hodjegan Amin , Barber Jill
Published: June 2014

Avoiding cytochrome P450 (CYP) related drug interactions in the development of new drug candidates means that glucuronidation by uridine 5′‐diphosphate glucuronosyltransferase (UGT) enzymes is expected to become a more prominent pathway in the metabolism of new drug candidates designed by pharmaceutical companies. Therefore, determining the abundance and activity of these enzymes is of value in the process of scaling in vitro data to in vivo metabolic parameters. Many of the studies involving the measurement of UGTs were conducted with too few samples, which did not provide a good indication of population values and the level of variability. Meta‐analysis is used in the current study to combine all reported values (eight studies that used LC‐MS isotope‐labelled standard targeted quantitative methods), detect inconsistencies between the various datasets and describe correlations of expression between the quantified UGT enzymes. Some heterogeneity was observed between studies, especially in the UGT1A4, 2B7 and 2B10 datasets. However, in the absence of information on the inter‐laboratory consistency of assays, it is difficult to assign these differences to the heterogeneity of the samples. Large inter‐individual variability was observed in the collated data across this family of enzymes. Positive correlations between the expression levels of certain UGT enzymes were found in the collated data. These included the pairs: UGT1A4/2B4 (rs = 0.71, p < 0.0001, n = 82), UGT2B4/2B15 (rs = 0.63, p < 0.0001, n = 83), UGT2B7/2B15 (rs = 0.81, p < 0.0001, n = 99). These correlations can be explained by common regulatory mechanisms involved in the expression of these proteins. Copyright © 2014 John Wiley & Sons, Ltd.
A reconstructed metastasis model to recapitulate the metastatic spread in vitro
Authors: Parikh Mukti R. , Minser Kayla E. , Rank Laura M. , Glackin Carlotta A. , Kirshner Julia
Published: June 2014

Metastasis remains a leading cause of morbidity and mortality from solid tumors. Lack of comprehensive systems to study the progression of metastasis contributes to the low success of treatment. We developed a novel three‐dimensional in vitro reconstructed metastasis (rMet) model that incorporates extracellular matrix (ECM) elements characteristic of the primary (breast, prostate, or lung) and metastatic (bone marrow, BM) sites. A cytokine‐rich liquid interphase separates the primary and distant sites, further recapitulating circulation. Similar to main events underlying the metastatic cascade, the rMet model fractionated human tumor cell lines into sub‐populations with distinct invasive and migratory abilities: (i) a primary tumor‐like fraction mainly consisting of non‐migratory spheroids; (ii) an invasive fraction that invaded through the primary tumor ECM, but failed to acquire anchorage‐independence and reach the BM; and (iii) a highly migratory BM‐colonizing population that invaded the primary ECM, survived in the “circulation‐like” media, and successfully invaded and proliferated within BM ECM. BM‐colonizing fractions successfully established metastatic bone lesions in vivo, whereas the tumor‐like spheroids failed to engraft the bones, showing the ability of the rMet model to faithfully select for highly aggressive sub‐populations with a propensity to colonize a metastatic site. By applying the rMet model to study real‐time ECM remodeling, we show that tumor cells secrete collagenolytic enzymes for invading the primary site ECM but not for entering the BM ECM, indicating possible differences in ECM remodeling mechanisms at primary tumor versus metastatic sites.
Outcomes in locally advanced rectal cancer with highly selective preoperative chemoradiotherapy
Authors: Williamson J S , Jones H G , Davies M , Evans M D , Hatcher O , Beynon J , Harris D A ,   Swansea Colorectal Cancer Group, Khot U , Chandrasekaran T V , Morgan A R , Hilton J , Carr N D , Gwynne S , Askill C
Published: June 2014

Background

This study compared outcomes after surgery alone for stage II/ III rectal cancer in a tertiary cancer unit versus highly selective use of preoperative chemoradiotherapy (CRT).

Methods

This was a single-centre retrospective cohort study of consecutive patients receiving potentially curative surgery for stage II and III primary rectal cancer. CRT was given only for magnetic resonance imaging-predicted circumferential resection margin (CRM) involvement and nodal disease (at least N2). Primary endpoints were CRM involvement and local recurrence rates. Secondary endpoints were systemic recurrence and overall survival. Data were analysed by log rank test, and univariable and multivariable analysis.

Results

Between 2002 and 2012, 363 patients were treated for rectal cancer. After applying exclusion criteria, 266 patients with stage II/III mid or low rectal cancer were analysed. Of these, 103 received neoadjuvant CRT and 163 proceeded directly to surgery, seven of whom required postoperative radiotherapy; the latter patients were included in the neoadjuvant CRT group for analysis. There was a significant difference in local recurrence between the CRT and surgery-alone groups (6·5 versus 0 per cent at 5 years; P = 0·040), but not in CRM involvement (7·2 versus 5·1 per cent; P = 0·470), 5-year systemic recurrence (37·2 versus 43·0 per cent; P = 0·560) and overall survival (64·2 versus 64·6 per cent; P = 0·628) rates. Metastatic disease developed more frequently in low rectal cancers (odds ratio 0·14; P < 0·001), regardless of whether neoadjuvant treatment was delivered.

Conclusion

Locally advanced rectal cancer does not necessarily require neoadjuvant CRT.
The natural history of intravascular lymphomatosis
Authors: Fonkem Ekokobe , Lok Edwin , Robison David , Gautam Shiva , Wong Eric T.
Published: June 2014

Intravascular lymphomatosis (IVL) is a rare and clinically devastating form of extranodal B‐cell non‐Hodgkin's lymphoma. We performed a comprehensive analysis of the literature on IVL's published between 1959 and 2011 and evaluated the natural history as well as identified prognostic and predictive factors in patients. Nonparametric two‐tailed Mann–Whitney U‐test and Mantel–Cox log rank test were used to evaluate the survival intervals and prognostic factors. Multivariate analysis of variance (MANOVA) and chi‐squared statistics were carried out to examine treatment‐related predictive factors. Of the 740 patients with IVL, 651 (88%) had a diagnosis of B‐cell lymphoma, 45 (6%) with T‐cell lymphoma, and 12 patients (2%) with NK cell lymphoma. Central nervous system (CNS) IVL had the highest proportion of postmortem diagnosis, 250 (60%) compared to 21 (8%) of skin, 28 (11%) of bone marrow (BM) and spleen, and 17 (7%) of lung IVL's. Age <70 years (P = 0.0073), non‐CNS site of initial diagnosis (P = 0.0014), lactate dehydrogenase (LDH) <700 (P = 0.0112), and rituximab treatment (P < 0.0001) were favorable prognostic factors. Gender, ethnicity, hemoglobin, BM biopsy, and the type of imaging studies used were not significant. Rituximab and doxorubicin treatment worked significantly better in patients with age >71 and LDH >577 compared to nonrituximab, nondoxorubicin regimens (MANOVA 2 degrees of freedom, P = 0.0345), with a median time from treatment to death of 20.0 (95% confidence interval [CI] 14.0–N/A, n = 14) months versus 2.0 (95%CI 0.5–N/A, n = 5) (χ2 = 4.7, P = 0.0304). Patients with CNS IVL relapsed primarily in the CNS (88%) while same‐organ relapse occurred less frequently in skin (23%), BM and spleen (50%) and lung (20%) IVL's. Our results indicate that IVL is primarily a disease of B‐lymphoma cells. Timely diagnosis and treatment with rituximab‐based chemotherapy improve patient survival. The pattern of recurrence is different between CNS IVL and IVL's in other organs.
Comparison of simple projection methods (OPLS, PLSO, and TP) for separation of predicting and non‐predicting information in PLSR and PCR, with focus on DA
Authors: Ergon Rolf
Published: June 2014

Orthogonal projections to latent structures (OPLS) and target projection (TP) are two alternative methods for separation of predicting and non‐predicting parts of the predictor matrix in partial least squares regression (PLSR), which can also be applied on principal component regression (PCR). An additional new method called PLSO is developed in the paper. In all three methods, the predicting score vector is a scaled version of the fitted response vector. Otherwise, the resulting score and loading vectors are different, although OPLS and TP are identical within similarity transformations. All these relations are here found by simple projections of the fitted predictor matrix from PLSR or PCR, and the similarities and differences are illustrated in discriminant analysis examples. Copyright © 2014 John Wiley & Sons, Ltd.
Optimal graph‐based and Simplified Molecular Input Line Entry System‐based descriptors for quantitative structure–activity relationship analysis of arylalkylaminoalcohols, arylalkenylamines, and arylalkylamines as σ1 receptor ligands
Authors: Quesada‐Romero Luisa , Mena‐Ulecia Karel , Zuñiga Matias , De‐la‐Torre Pedro , Rossi Daniela , Tiznado William , Collina Simona , Caballero Julio
Published: June 2014

In this investigation, an optimal description of the structure–activity relationship was done for 59 σ1 receptor ligands including arylalkylaminoalcohols, arylalkenylamines, and arylalkylamines (denoted as RC‐33 analogs in this manuscript). We used optimal graph‐based (GBD) and Simplified Molecular Input Line Entry System (SMILES)‐based (SBD) descriptors as molecular characteristics of the structures to explain the differences in σ1 receptor affinity between the ligands. The best graph‐based descriptor model (named HFG‐EC0 in the manuscript) included hydrogen‐filled molecular graphs using the extended connectivity of zero order (EC0). This model has an average correlation coefficient value for external test set of 0.786 with a better statistics when comparing with the best SBD model. The best SBD model (named SSSk in the manuscript) includes only three SMILES elements SSSk and has an average correlation coefficient value for external test set of 0.726. These models identified the molecular features that contribute to a high σ1 receptor ligand affinity. Copyright © 2014 John Wiley & Sons, Ltd.
Scalable Low‐Cost SnS2 Nanosheets as Counter Electrode Building Blocks for Dye‐Sensitized Solar Cells
Authors: Bai Yang , Zong Xu , Yu Hua , Chen Zhi‐Gang , Wang Lianzhou
Published: June 2014

A new type of semitransparent SnS2 nanosheet (NS) films were synthesized using a simple and environmentally friendly solution‐processed approach, which were subsequently used as a counter electrode (CE) alternative to the noble metal Pt for triiodide reduction in dye‐sensitized solar cells (DSSCs). The resultant SnS2‐based CE with a thickness of about 300 nm exhibited excellent electrochemical catalytic activity for catalyzing the reduction of triiodide and demonstrated comparable power conversion efficiency of 7.64 % with that of expensive Pt‐based CE in DSSCs (7.71 %). When functionalized with a small amount of carbon nanoparticles, the SnS2 NS‐based CE showed even better performance of 8.06 % than Pt under the same conditions. Considering the facile fabrication method, optical transparency, low cost, and remarkable catalytic property, this study on SnS2 NSs may shed light on the large‐scale production of electrocatalytic electrode materials for low‐cost photovoltaic devices.
Synthesis of the C10–C24‐Bis‐Spiroacetal Core of 13‐Desmethyl Spirolide C Based on a Sila‐Stetter‐Acetalization Process
Authors: Labarre‐Lainé Jessica , Periñan Ignacio , Desvergnes Valérie , Landais Yannick
Published: June 2014

Synthesis of the bis‐spiroacetal core of 13‐desmethyl spirolide C has been completed based on a sila‐Stetter‐acetalization process. The acylsilane and enone partners in the Stetter reaction were prepared in 7 and 11 steps, respectively, from (S) and (R)‐aspartic acid. The quaternary center at C19 in the enone moiety was controlled by relying on the Seebach’s chiral self‐reproduction method using an enantiopure (S)‐lactic acid based dioxolanone. The final acid‐catalyzed spiroacetalization provided the desired spiroacetal as a mixture of diastereoisomers in 13 linear steps. Whatever the conditions used, the non‐natural transoid isomer was formed preferentially. However, both cisoid and transoid isomers were isolated pure and their structure assigned unambiguously through NMR spectroscopic studies.
ChemInform Abstract: Wurtzite CuGaO2: A New Direct and Narrow Band Gap Oxide Semiconductor Applicable as a Solar Cell Absorber.
Authors: Omata Takahisa , Nagatani Hiraku , Suzuki Issei , Kita Masao , Yanagi Hiroshi , Ohashi Naoki
Published: June 2014

β‐CuGaO2 is synthesized from β‐NaGaO2 (obtained by solid state reaction of Na2CO3 and Ga2O3 at 900 °C for 20 h) via ion‐exchange with CuCl (250 °C, 48 h).
ChemInform Abstract: WS2@graphene Nanocomposites as Anode Materials for Na‐Ion Batteries with Enhanced Electrochemical Performances.
Authors: Su Dawei , Dou Shixue , Wang Guoxiu
Published: June 2014

WS2@graphene nanocomposites, in which WS2 nanocrystals are uniformly anchored on graphene nanosheets, are prepared by ultrasonication (30 min) of an aqueous suspension of WCl6 and freshly prepared graphite oxide nanosheets followed by hydrothermal treatment in the presence of cysteine (autoclave, 200 °C, 12 h).
ChemInform Abstract: Two Bi‐Based Phosphate Photocatalysts: Crystal Structure, Optical Property and Photocatalytic Activity.
Authors: Huang Hongwei , Chen Gong , Zhang Yihe
Published: June 2014

Na3Bi2(PO4)3 (I) and Na3Bi(PO4)2 (II) are prepared by solid state reaction of stoichiometric mixtures of Bi2O3, Na2CO3, and NH4H2PO4 (650 °C, 20 h).
ChemInform Abstract: Synthesis and Application of Chalcones to the Preparation of Heterocyclic Structures.
Authors: Velikorodov A. V. , Ionova V. A. , Temirbulatova S. I. , Titova O. L. , Stepkina N. N.
Published: June 2014

Condensation of carbamate (I) with aromatic aldehydes can be performed under basic and acidic conditions.
ChemInform Abstract: Synthesis of 1,2‐Dimetallic Compounds via Direct Insertion of Zinc Powder in the Presence of InCl3: Synthesis of ortho‐Bis‐functionalized Aromatics.
Authors: Klatt Thomas , Bluemke Tobias D. , Ganiek Maximilian A. , Knochel Paul
Published: June 2014

The In(III)‐catalyzed insertion of zinc powder into aromatic 1‐bromo‐2‐triflates or 1,2‐dibromides give 1,2‐dizinc reagents, which readily undergo acylation, cross coupling, and allylation reactions.
ChemInform Abstract: Temporal Separation of Catalytic Activities Allows anti‐Markovnikov Reductive Functionalization of Terminal Alkynes.
Authors: Li Le , Herzon Seth B.
Published: June 2014

The Ru catalysts (RUC) and [Ru(Cp)(MeCN)3]PF6 are found to promote sequential hydration and reduction of terminal alkynes giving 2‐substituted ethanols in good to high yields.
ChemInform Abstract: Boc‐Protected 1‐(3‐Oxocycloalkyl)ureas via a One‐Step Curtius Rearrangement: Mechanism and Scope.
Authors: Sun Xianyu , Rai Rachita , Deschamps Jeffrey R. , MacKerell Alexander D. Jr. , Faden Alan I. , Xue Fengtian
Published: June 2014

Treatment of carboxylic acids (I) with Et3N, DPPA, and tBuOH provides the title ureas as major products via Curtius rearrangement followed by an unexpected nucleophilic addition of the resulting tert‐butyl carbamate to an in situ generated isocyanate intermediate.
ChemInform Abstract: Et4NI‐Catalyzed Amidation of Aldehydes and Alcohols with Ammonium Salts.
Authors: Wang Gao , Yu Qing‐Ying , Chen Shan‐Yong , Yu Xiao‐Qi
Published: June 2014

The reaction of alcohols mostly leads to the mixture of the target amides with the corresponding nitriles.
ChemInform Abstract: N‐Picolinamides as Ligands for Ullmann‐Type Homocoupling Reactions.
Authors: Damkaci Fehmi , Altay Esra , Waldron Matthew , Knopp Michael A. , Snow David , Massaro Nicholas
Published: June 2014

Substrates with electron donating groups in the ortho position or substrates lacking ortho ligating groups do not react.
ChemInform Abstract: Synthesis of Nonracemic Polysubstituted Cyclohexanes Through Cascade Reactions of (2R,3S)‐2‐Acetyl‐3‐aryl‐4‐nitrobutanoates, Adducts of Ni(II)‐Catalyzed Michael Addition.
Authors: Reznikov A. N. , Sidnin E. A. , Klimochkin Yu. N.
Published: June 2014

A stereoselective two‐step synthesis is given for polysubstituted cyclohexanes of type (V) starting from ethyl acetoacetate (I), nitroalkenes (II), and cinnamic aldehyde (IV).
ChemInform Abstract: Spiroketals of Monosaccharides by Dye‐Sensitized Photooxygenation of Furyl Ketoses.
Authors: Cermola Flavio , Sferruzza Rosalia , Iesce Maria Rosaria
Published: June 2014

[4+2] Cycloaddition of singlet oxygen to sugar substituted furans followed by reduction of the corresponding endoperoxides afford functionalized enediones which quickly cyclize into spiroketals.
ChemInform Abstract: Direct Stereospecific Synthesis of Unprotected N—H and N—Me (XII) Aziridines from Olefins.
Authors: Jat J. L. , Paudyal M. P. , Gao H. , Xu Q.‐l. , Yousufuddin M. , Devarajan D. , Ess D. H. , Kurti L. , Falck J. R.
Published: June 2014

This method gives unprotected aziridines from mono‐, di‐, tri‐ and tetrasubstituted olefins in good yields.
ChemInform Abstract: Synthesis of Amphidinolide Y Precursors.
Authors: Mola Laura , Olivella Anna , Urpi Felix , Vilarrasa Jaume
Published: June 2014

A new synthesis of the open precursors of the title compound is presented.
ChemInform Abstract: Diazirines as Potent Electrophilic Nitrogen Sources: Application to the Synthesis of Pyrazoles.
Authors: Schneider Yoann , Prevost Julie , Gobin Maelle , Legault Claude Y.
Published: June 2014

N‐Monosubstituted diaziridines release, under hydrolysis conditions, the corresponding monosubstituted hydrazines which are further converted into pyrazoles in high yields.
ChemInform Abstract: Eco‐Friendly Synthesis of Guanidinyltetrazole Compounds and 5‐Substituted 1H‐Tetrazoles in Water under Microwave Irradiation.
Authors: El Remaily M. Abd El Aleem Ali Ali , Mohamed Shaaban K.
Published: June 2014

The synthesized compounds are screened for their in vitro antimicrobial activity.
ChemInform Abstract: New Synthesis of (5S*,7aS*)‐5‐Benzyloxy‐5,6,7,7a‐tetrahydrocyclopenta[c]pyran‐3(1H)‐one.
Authors: Lozanova A. V. , Zlokazov M. V. , Veselovsky V. V.
Published: June 2014

A new synthesis of pyran (V) starting from a mixture of oximes (I) is presented.
ChemInform Abstract: Enantio‐ and Diastereoselective Hetero‐Diels—Alder Reactions Between 4‐Methyl‐substituted Rawal′s Diene and Aldehydes Catalyzed by Chiral Dirhodium(II) Carboxamidates: Catalytic Asymmetric Synthesis of (‐)‐cis‐Aerangis Lactone (XII).
Authors: Watanabe Yudai , Shimada Naoyuki , Anada Masahiro , Hashimoto Shunichi
Published: June 2014

High yields and high enantioselectivities are achieved when DMAD and acetyl chloride are used in the workup of the hetero‐Diels‐Alder reaction.
ChemInform Abstract: Photoredox Activation and Anion Binding Catalysis in the Dual Catalytic Enantioselective Synthesis of β‐Amino Esters.
Authors: Bergonzini Giulia , Schindler Corinna S. , Wallentin Carl‐Johan , Jacobsen Eric N. , Stephenson Corey R. J.
Published: June 2014

The enantioselective oxidative C—H functionalization of tetrahydroisoquinoline derivatives (I) is achieved through the merger of photoredox and asymmetric anion‐binding catalysis.
ChemInform Abstract: Modification of γ‐Carbolines with N‐Substituted Propionamides as a New Approach to Mitoprotective Agents.
Authors: Bachurin S. O. , Vinogradova D. V. , Shevtsova E. F. , Goreva T. V. , Epishina T. A. , Aksinenko A. Yu. , Sokolov V. B.
Published: June 2014

8 Title compounds are prepared.
ChemInform Abstract: Stereoselective Tandem Synthesis of Thiazolo Fused Naphthyridines and Thienopyridines from O‐Alkynylaldehydes via Au(III)‐Catalyzed Regioselective 6‐endo‐dig Ring Closure.
Authors: Jha Rajeev R. , Saunthwal Rakesh K. , Verma Akhilesh K.
Published: June 2014

Interestingly, thienopyridines (V) are formed in significantly lower diastereoselectivity.
ChemInform Abstract: Diborylation of Alkynyl MIDA Boronates and Sequential Chemoselective Suzuki—Miyaura Couplings: A Formal Carboborylation of Alkynes.
Authors: Hyodo Keita , Suetsugu Masato , Nishihara Yasushi
Published: June 2014

Platinum‐catalyzed diborylation of alkynyl (I) boronates with (pinacolato)diboron (II) gives triborylphenylethene with two different boron functionalities which undergoes chemoselective Suzuki—Miyaura coupling with aryl and alkyl halides to afford the target compounds in good yields.
ChemInform Abstract: Total Synthesis of Sandramycin and Its Analogues via a Multicomponent Assemblage.
Authors: Katayama Katsushi , Nakagawa Koji , Takeda Hiroshi , Matsuda Akira , Ichikawa Satoshi
Published: June 2014

The cytotoxic activity of sandramycin (Ia) and its analogues (Ib,c) against a range of human cancer cell lines is evaluated.
ChemInform Abstract: Stereoselective Synthesis of Protectin D1: A Potent Antiinflammatory and Proresolving Lipid Mediator.
Authors: Aursnes M. , Tungen J. E. , Vik A. , Dalli J. , Hansen T. V.
Published: June 2014

The UV and LC/MS‐MS data recorded on the synthetically prepared protectin D1 (I) match those of the endogenously produced material.
ChemInform Abstract: Simultaneous Removal of NOX and SO2 with H2O2 over Fe Based Catalysts at Low Temperature.
Authors: Ding Jie , Zhong Qin , Zhang Shule
Published: June 2014

Simultaneous flue gas desulfurization and denitrification are achieved with OH radicals generated from H2O2 catalyzed by Fe based transition metal (Fe, Fe‐Al, Fe‐Ti, Fe‐Si) oxides in the duct, followed by purification with NH3‐based glass made washing tower.
ChemInform Abstract: Revisiting Active Sites in Heterogeneous Catalysis: Their Structure and Their Dynamic Behavior
Authors: Vedrine Jacques C.
Published: June 2014

Review: 127 refs.
ChemInform Abstract: Phosphine Catalysis of Allenes with Electrophiles
Authors: Wang Zhiming , Xu Xingzhu , Kwon Ohyun
Published: June 2014

Review: 50 refs.
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Hydrosilylation of Styrenes with Trichlorosilane
Authors: Han Jin Wook , Hayashi Tamio
Published: June 2014

Review: [21 refs.
ChemInform Abstract: Photochemical Flow Reactions
Authors: Schuster Elaine M. , Wipf Peter
Published: June 2014

Review: 43 refs.
ChemInform Abstract: Dual Catalysis Sees the Light: Combining Photoredox with Organo‐, Acid, and Transition‐Metal Catalysis
Authors: Hopkinson Matthew N. , Sahoo Basudev , Li Jun‐Long , Glorius Frank
Published: June 2014

Review: [61 refs.
ChemInform Abstract: Recent Progress in Metal Assisted Multicomponent Syntheses of Heterocycles
Authors: Kumar Maji Pradip , Ul Islam Rafique , Kumar Bera Sujit
Published: June 2014

Review: 284 refs.
ChemInform Abstract: Transformation of Oxygenated Compounds Derived from Biomass into Valuable Chemicals Using Ceria‐Based Solid Catalysts
Authors: Vivier Laurence , Duprez Daniel
Published: June 2014

Review: 92 refs.
ChemInform Abstract: A Review on Recent Progress in Multicomponent Reactions of Pyrimidine Synthesis
Authors: Gore Rambhau P. , Rajput Ambarsing P.
Published: June 2014

Review: 23 refs.
ChemInform Abstract: Synthetic Applications of Aryl Diazonium Salts Enabled by Visible Light Photoredox Catalysis
Authors: Hari Durga Prasad , Hering Thea , Koenig Burkhard
Published: June 2014

Review: 28 refs.
ChemInform Abstract: Photoswitchable Spin Crossover Nanoparticles
Authors: Tissot Antoine
Published: June 2014

Review: [30 refs.
Approximate pressure drop and filtration efficiency expressions for semi‐open wall‐flow channels
Authors: Haralampous Onoufrios , Kontzias Theodore
Published: June 2014

Semi‐open wall‐flow channels are conventional filter channels with missing plugs either in the frontal or rear side. This configuration has lately become an interesting modelling issue with respect to partial filters designed for the emerging markets and as a special case of wall‐flow filters, that have suffered damage due to regeneration. This paper presents the development of approximate analytical expressions for the estimation of pressure drop and filtration efficiency of semi‐open channels. In order to facilitate the derivation, realistic assumptions are employed and the results are extensively validated using a commercial simulation software, able to solve the differential equations system of the 1D channel model. The validation covers important design parameters and operational conditions, namely filter permeability, length, mass flow rate and soot loading. It is shown that the analytical expressions can predict all trends and moreover offer clear physical explanations. The pressure drop calculation does not exceed 6% of the numerical prediction, while the filtration efficiency absolute error lies within 6% except for specific cases. Finally, a partially failed DPF is simulated using the developed expressions and a commercial CFD package in order to estimate the failure effect on filtration and pressure drop performance. In this way, the usability of the proposed modelling approach is demonstrated.