bluuebunny/crossref_metadata_2025 huggingface dataset:
C‐BEAM: A confidence‐based evaluation of MCQs for providing feedback to instructors
Authors: Aleem Abdul , Gore Manoj M.
Published: September 2018

Multiple‐choice questions (MCQs) examination is the most preferred methodology for evaluating knowledge in a specific context for a large number of students. The problem with MCQs is that students apply probabilistic approach to guess answers for scoring marks. Depending on the accuracy of the prediction, it may happen that the examinees who have little or no knowledge score more than or equal to the examinees who have better knowledge. Unexpected failures of the candidates who have passed MCQ based prestigious competitive examinations have also been observed. To overcome these contradictions, this article proposes a novel Confidence‐Based Evaluation Approach for MCQs (C‐BEAM) that curb the use of probabilistic prediction. The proposed marking scheme has been compared with well‐known marking schemes like no‐negative marking, one‐fourth negative marking, and one‐third negative marking. These marking schemes have been applied for the evaluation of eight MCQ quizzes on three engineering subjects that were attempted by more than 500 students at MNNIT Allahabad, India. The analysis of results proves C‐BEAM marking scheme as more effective than other compared methods in minimizing the effect of guessed answers. In addition to the effectiveness, C‐BEAM forms the basis for the confidence‐based feedback of students. This article also applies association rule mining methods to the evaluation data generated from C‐BEAM method for discovering association rules. These rules are confidence‐based feedback of students that would help instructors to improve the teaching process.
Systemic lupus erythematosus with refractory ulcerated livedoid vasculopathy: Successful treatment with intravenous immunoglobulin and warfarin
Authors: Yoshioka Katsunobu , Tateishi Chiharu , Kato Hiromi , Chen Ko‐Ron
Published: September 2018

Key Clinical Message

We reported a patient with systemic lupus erythematosus complicated by livedoid vasculopathy (LV), who responded well to intravenous immunoglobulin and warfarin. Cutaneous lesions of LV resemble those of cutaneous vasculitis. LV should be included in the differential diagnosis of leg ulcerations even in the presence of autoimmune disorders.
When the Surface Matters: Prebiotic Peptide‐Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT‐D2 Simulations
Authors: Pantaleone Stefano , Ugliengo Piero , Sodupe Mariona , Rimola Albert
Published: September 2018

The mechanism of the peptide‐bond formation between two glycine (Gly) molecules has been investigated by means of PBE‐D2* and PBE0‐D2* periodic simulations on the TiO2 (101) anatase surface. This is a process of great relevance both in fundamental prebiotic chemistry, as the reaction univocally belongs to one of the different organizational events that ultimately led to the emergence of life on Earth, as well as from an industrial perspective, since formation of amides is a key reaction for pharmaceutical companies. The efficiency of the surface catalytic sites is demonstrated by comparing the reactions in the gas phase and on the surface. At variance with the uncatalyzed gas‐phase reaction, which involves a concerted nucleophilic attack and dehydration step, on the surface these two steps occur along a stepwise mechanism. The presence of surface Lewis and Brönsted sites exerts some catalytic effect by lowering the free energy barrier for the peptide‐bond formation by about 6 kcal mol−1 compared to the gas‐phase reaction. Moreover, the co‐presence of molecules acting as proton‐transfer assistants (i.e., H2O and Gly) provide a more significant kinetic energy barrier decrease. The reaction on the surface is also favorable from a thermodynamic standpoint, involving very large and negative reaction energies. This is due to the fact that the anatase surface also acts as a dehydration agent during the condensation reaction, since the outermost coordinatively unsaturated Ti atoms strongly anchor the released water molecules. Our theoretical results provide a comprehensive atomistic interpretation of the experimental results of Martra et al. (Angew. Chem. Int. Ed. 2014, 53, 4671), in which polyglycine formation was obtained by successive feedings of Gly vapor on TiO2 surfaces in dry conditions and are, therefore, relevant in a prebiotic context envisaging dry and wet cycles occurring, at mineral surfaces, in a small pool.
Rhodium(III) Complex with a Bulky Cyclopentadienyl Ligand as a Catalyst for Regioselective Synthesis of Dihydroisoquinolones through C−H Activation of Arylhydroxamic Acids
Authors: Trifonova Evgeniya A. , Ankudinov Nikita M. , Kozlov Maxim V. , Sharipov Mikhail Y. , Nelyubina Yulia V. , Perekalin Dmitry S.
Published: September 2018

Catalytic reaction of arylhydroxamic acids with alkenes represents a convenient method for preparation of biologically active dihydroisoquinolones. Here, the rhodium(III) complex [(C5H2tBu2CH2tBu)RhCl2]2, which allows one to carry out such reactions with high regioselectivity to obtain 4‐substituted dihydroisoquinolones in 72–97 % yields, is described. The regioselectivity is provided by the bulky cyclopentadienyl ligand of the catalyst, which is formed through a [2+2+1] cyclotrimerization of tert‐butylacetylene. The catalytic reaction tolerates various distant functional groups in alkenes, but is inhibited by bulky (e.g., tBu) or strongly coordinating (e.g., imidazolyl) substituents. Some of the prepared dihydroisoquinolones effectively inhibit growth of phytopathogenic fungi.
Steel Gases as Ancient and Modern Challenging Resource; Historical Review, Description of the Present, and a Daring Vision
Authors: Frey Andreas , Goeke Volker , Voss Christian
Published: September 2018

Steel is a critical material for many aspects of modern life. Transport systems, communications, civil infrastructure, and industrial engineering could not survive without it, yet the steel industry is reported to be responsible for 5 – 7 % of anthropogenic CO2 emissions making it a major contributor to climate change. Efficient utilization of the carbon rich by‐products of steel production in order to avoid CO2 emissions is vital. Traditionally by‐product gases have been used as fuel‐gas for heating applications or for power generation. Alternative chemical applications are now being developed based upon utilization of the gases as raw materials for chemicals production.
Chemotherapy for Fighting Schistosomiasis: Past, Present and Future
Authors: Mäder Patrick , Rennar Georg A. , Ventura Alejandra M. Peter , Grevelding Christoph G. , Schlitzer Martin
Published: September 2018

Chemotherapy based on repeated doses of praziquantel remains the most effective control strategy against schistosomiasis, a neglected tropical disease caused by platyhelminths of the genus Schistosoma spp. Its long‐term use, however, raises serious concerns about drug resistance against praziquantel. Therefore, it is generally acknowledged that alternative treatment options are urgently needed. This Review summarizes data on relinquished drugs as well as recent advances in the area of antischistosomal compounds from a medicinal chemistry point of view. Furthermore, insights into the structure–activity relationships of each class of compounds are presented including in vitro and in vivo data, if available. Although many compounds have demonstrated good antischistosomal activity in vitro, they offer little promise to replace praziquantel. Nevertheless, the race to develop novel antischistosomal agents is ongoing.
In Vivo Evaluation of Ligand Targeted Drug Conjugates for Cancer Therapy
Authors: Krishnan Mena Asha , Pandit Amit , Chelvam Venkatesh
Published: September 2018

The development of small molecule ligand–targeted therapeutics is currently of paramount importance for treatment of cancer due to their potential to reduce system toxicity and increase potency of a delivered chemotherapeutic drug. The main aim of a targeted drug‐delivery technique is to release the drug cargo selectively into tumor tissues, avoiding off‐site toxicity to healthy tissues and organs during chemotherapy. In this strategy, a chemotherapeutic drug is conjugated to a homing ligand, which has high affinity for proteins over‐expressed on cancer cells, via a peptide linker and a self‐immolative segment that facilitates intracellular release of drug cargo. During development of targeted drug conjugates, preclinical evaluation in tumor models of small animals like mice adds valuable data on the clinical performance of the drug. This article contains a set of protocols for implantation of tumor, determination of optimum dosage required for effective treatment, and estimation of maximum tolerated dose required for any visible side effects during treatment of cancer in tumor models of mice. © 2018 by John Wiley & Sons, Inc.
The Alcohol‐to‐Jet Conversion Pathway for Drop‐In Biofuels: Techno‐Economic Evaluation
Authors: Geleynse Scott , Brandt Kristin , Garcia‐Perez Manuel , Wolcott Michael , Zhang Xiao
Published: September 2018

The alcohol‐to‐jet (ATJ) process is a method for the conversion of alcohols to an alternative jet fuel blendstock based on catalytic steps historically utilized by the petroleum refining and petrochemical industry. This pathway provides a means for producing a sustainable alternative jet fuel (SAJF) from a wide variety of resources and offers a near‐term opportunity for alcohol producers to enter the SAJF market and for the aviation sector to meet growing SAJF demand. Herein, the technical background is reviewed and selected variations of ATJ processes evaluated. Simulation and modeling were employed to assess some ATJ conversion schemes, with a particular focus on comparisons between the use of an ethanol or isobutanol intermediate. Although the utilization of isobutanol offers a 34 % lower conversion cost for the catalytic upgrading process, the cost of alcohol production is estimated to contribute more than 80 % of the total cost at the refinery. The cost of feedstock and alcohol production has a dominant effect on the overall process economics.
A systematic review of risk factors for cataract in type 2 diabetes
Authors: Drinkwater Jocelyn J. , Davis Wendy A. , Davis Timothy M.E.
Published: September 2018

Type 2 diabetes (T2D) is a risk factor for cataract development. With T2D prevalence increasing, the burden of cataract‐associated vision loss will also increase. We aimed to characterise cataract diabetes‐specific risk factors to assist prevention and management strategies. As part of a systematic review, two investigators independently searched online electronic databases according to a predetermined protocol for relevant published data to end‐March 2018. Studies were included if they were longitudinal with ≥100 participants, diabetes was defined, a description of cataract assessment was provided, data were from humans, and the reports were in English. Study quality was assessed using the Newcastle Ottawa Scale and GRADE. Of 5255 publications identified, 19 from 13 study populations were included. The overall risk of bias was low. There was between‐study variability. Age and glycaemic control were consistently associated with cataract development in T2D, but blood pressure, diabetes duration, sex, and aspirin use were not. Serum lipids and smoking remain possible risk factors, but available data are inconclusive. Glycaemia is the only consistent modifiable risk factor amongst a range of candidate variables. Due to the lack of consistency of the available evidence, and since mortality associated with T2D is declining with the likelihood of increased cataract‐associated vision loss, additional well‐conducted longitudinal studies are needed to identify modifiable risk factors that could prevent or delay cataract formation.
Recovery of cortical volume and thickness after remission from acute anorexia nervosa
Authors: Nickel Kathrin , Joos Andreas , Tebartz van Elst Ludger , Matthis Jamila , Holovics Lukas , Endres Dominique , Zeeck Almut , Hartmann Armin , Tüscher Oliver , Maier Simon
Published: September 2018

Objective

Reduced grey (GM) and white matter (WM) volumes and increased cerebrospinal fluid (CSF) have been frequently reported in anorexia nervosa (AN), but studies focusing on cortical thickness (CT) are scarce and findings inconsistent. We conducted the first study in AN that analyzed both parameters in the same study to gain novel and comprehensive insight.

Method

Voxel‐based morphometry (VBM) analysis was performed on T1‐weighted magnetic resonance images from 34 predominantly adult women with acute AN, 24 REC participants, and 41 healthy controls (HC). Global brain segment volumes (GM, WM, and CSF), regional GM volume, and cortical thickness measures were obtained from the same study sample. We further focused on recovery by including a REC group.

Results

The GM and WM volumes were decreased, and correspondingly, the CSF volume increased in the AN in comparison to the HC and REC groups. No significant volume differences between the REC and HC groups could be observed. AN patients showed reduced regional GM volumes in the right hippocampus and the left middle and right inferior frontal gyrus. Cortical thinning occurred in the AN group, which was particularly robust in fronto‐parietal areas. The REC and HC groups failed to show any regional GM or cortical thickness differences.

Discussion

AN is accompanied by severe loss of brain volume and cortical thickness as assessed by complementary investigation tools. However, these changes seem to be largely reversible, which should be encouraging for therapists and patients. The underlying neurobiological mechanisms remain unclear and should be assessed in further studies.
Post‐catastrophe patterns of abundance and survival reveal no evidence of population recovery in a long‐lived animal
Authors: Keevil Matthew G. , Brooks Ronald J. , Litzgus Jacqueline D.
Published: September 2018

Population catastrophes are widespread, unpredictable phenomena occurring in natural populations that have important, yet frequently underappreciated, consequences for persistence. As human impacts on ecosystems increase globally, the frequency of catastrophes is likely to rise as increasingly fragmented and depleted populations become more vulnerable. Species with slow life histories are expected to recover slowly from catastrophes because of their longer generation times, and assessing their population recovery requires data spanning long periods. We report results from a long‐term mark–recapture study of snapping turtles (Chelydra serpentina) in Algonquin Provincial Park, Ontario, that experienced a major mortality event from winter predation by river otters. We estimated abundance and survival of nesting females before, during, and 23 yr following the catastrophe. We built multistate mark–recapture models incorporating movement between sites, temporary emigration, and observation effects. We found that during the 3‐yr mortality event, abundance of nesting females declined by 39% overall, and by 49% at our focal nesting area. Apparent survivorship of nesting females during these three years fell from 0.94 before the mortality event to 0.76 at the focal site and 0.86 at adjacent nest sites. Survivorship over the following 23‐yr period averaged 0.972 and 0.940 at the two sampling areas. Despite high post‐catastrophe survivorship and connectivity with other populations, the population failed to recover, displaying consistently reduced abundances across 23 post‐catastrophe years. We discuss the relationship between life‐history attributes and the causes and consequences of local catastrophes and their conservation implications.
Resource selection and movement of male moose in response to varying levels of off‐road vehicle access
Authors: Brown Casey L. , Kielland Knut , Brinkman Todd J. , Gilbert Sophie L. , Euskirchen Eugenie S.
Published: September 2018

Many rural communities are increasingly relying on off‐road motorized vehicles to access wildlife for both subsistence harvest and recreational hunting. Understanding the effects of trail and road networks on wildlife behavior is crucial to effective management for subsistence opportunities in communities that depend on accessible populations as an ecosystem service. We collared 26 adult male moose (Alces alces) in interior Alaska to monitor fine‐scale habitat selection and movement patterns before, during, and after the hunting season in relation to trail and habitat characteristics. Moose response varied by region and the associated distribution of regional hunter trails (e.g., trails and secondary roads). Moose that resided in areas with extensive trail access selected habitat closer to trails and vegetative cover. Additionally, moose step length increased as distance to cover increased. Moose in more remote, less accessible regions avoided areas with high trail densities and selected habitat closer to quality forage during the hunting season. Moose step lengths also increased with higher densities of trails. Our research suggests that landscape‐level hunter access can affect patterns of male moose movement and habitat selection to avoid risk during the hunting season. Our models provide an innovative approach to examining the spatio‐temporal variation of behavioral responses to habitat and landscape features and can serve as a framework for managers to better understand the relationships between human disturbance during the hunting season and wildlife management and conservation.
The prognosis of mid‐range ejection fraction heart failure: a systematic review and meta‐analysis
Authors: Altaie Saif , Khalife Wissam
Published: September 2018

Aims

Mid‐range ejection fraction is a new entity of heart failure (HF) with undetermined prognosis till now. In our systematic review and meta‐analysis, we assess the mortality and hospitalization rates in mid‐range ejection fraction HF (HFmrEF) and compare them with those of reduced ejection fraction heart failure (HFrEF) and preserved ejection fraction HF (HFpEF).

Methods and results

We conducted our search in March 2018 in the following databases for relevant articles: PubMed, CENTRAL, Google Scholar, Web of Science, Scopus, NYAM, SIEGLE, GHL, VHL, and POPLINE. Our primary endpoint was assessing all‐cause mortality and all‐cause hospital re‐admission rates in HFmrEF in comparison with HFrEF and HFpEF. Secondary endpoints were the possible causes of death and hospital re‐admission. Twenty‐five articles were included in our meta‐analysis with a total of 606 762 adult cardiac patients. Our meta‐analysis showed that HFmrEF had a lower rate of all‐cause death than had HFrEF [relative risk (RR), 0.9; 95% confidence interval (CI), 0.85–0.94]. HFpEF showed a higher rate of cardiac mortality than did HFmrEF (RR, 1.09; 95% CI, 1.02–1.16). Also, HFrEF had a higher rate of non‐cardiac mortality than had HFmrEF (RR, 1.31; 95% CI, 1.22–1.41).

Conclusions

We detected a significant difference between HFrEF and HFmrEF regarding all‐cause death, and non‐cardiac death, while HFpEF differed significantly from HFmrEF regarding cardiac death.
Isolable Adducts of Tertiary Amines and Dinitrogen Trioxide
Authors: Rosadiuk Kristopher A. , Scott Bohle D.
Published: September 2018

Anhydrous dinitrogen trioxide, N2O3, dissolved in toluene or dichloromethane rapidly forms stable adducts with tertiary amines such triethyl‐, tribenzyl‐, or trihexyl‐amine. With DABCO, 1,4‐diazabicyclo[2.2.2]octane it forms a free flowing orange solid. The analytical and spectroscopic data for the DABCO adduct indicate a formula of DABCO(N2O3)2 which has been characterized by IR, Raman, and UV/Vis spectroscopy. The R3N‐N2O3 adducts are hydrolytically sensitive oils or solids which rapidly react quantitatively with thiols to give RSNO. The reactivity of the amine adducts is variable, and the products include amine N‐oxides, ammonium nitrites, and ammonium nitrates depending upon the adduct, conditions, and substrate. Density functional theory, B3LYP/aug‐cc‐pvtz, has been used to compare the predicted structures and spectroscopic data for mono and bis adducts. Geometry optimization of the R3N N2O3 adduct gives a weakly bound Lewis acid/base adduct with the amine nitrogen closest to the nitrosyl N with a strongly tilted planar ONNO2 unit.
NMR Spectroscopy and Metal Ions in Life Sciences
Authors: Ravera Enrico , Takis Panteleimon G. , Fragai Marco , Parigi Giacomo , Luchinat Claudio
Published: September 2018

Metal ions play important structural and functional roles in many biological systems. The NMR spectroscopic characterization of biomolecules not only had to deal with the need of taking them into account, but also successfully exploited the characteristics of the paramagnetic metals to obtain structural information. The latter proved so important that diamagnetic proteins are in several cases made paramagnetic through substitution of a diamagnetic metal ion with a paramagnetic one or attachment of a paramagnetic tag. NMR studies of metal ions are also important for biomedical applications. Examples are provided here in the field of drug discovery and the development of contrast agents for MRI. More recently, paramagnetic metals proved useful also for improving the NMR sensitivity by dynamic nuclear polarization. Finally, NMR metabolomics studies are emerging for the identification and quantification of metal ions present in biological fluids.
Asymmetric Addition of Pyrazolones to Allenamides Catalyzed by a Chiral Phosphoric Acid
Authors: Yang Kai , Bao Xiaoze , Liu Siyuan , Xu Jingnan , Qu Jingping , Wang Baomin
Published: September 2018

We describe a new asymmetric allylic alkylation of pyrazolones, in which an all‐carbon quaternary stereocenter with broad substrate scope and good enantioselectivity was generated. The asymmetric addition of pyrazolones to allenamides could be carried out under mild conditions in excellent yields with a relatively low catalyst loading. The allylic products with an enamide structure can be easily transformed to the pyrazolones with other functional groups, which provides a new approach for the asymmetric introduction of new functional groups into the pyrazolone skeleton.
Synthesis of Polysubstituted 3‐Methylisoquinolines through the 6π‐Electron Cyclization/Elimination of 1‐Azatrienes derived from 1,1‐Dimethylhydrazine
Authors: Vargas Didier F. , Larghi Enrique L. , Kaufman Teodoro S.
Published: September 2018

A convenient one pot microwave‐assisted 6π‐electron cyclization/aromatization approach toward 3‐methylisoquinolines is reported. The starting 1‐azatriene derivatives were prepared in situ by reaction of 2‐propenylbenzaldehydes with 1,1‐dimethylhydrazine, which exhibited superior performance when compared with other hydrazine derivatives. Minor amounts of the related 3,4‐dihydro isoquinolines were formed concomitantly with the isoquinolines, and a mechanism for their generation was proposed. The reaction conditions were optimized, and its scope and limitations were explored. In general, the transformation proceeded in moderate to good yields.
Multiple Isomers of a Small, Strained Phosphaphane
Authors: Xiao Yonglong , Mague Joel T. , Pascal Robert A.
Published: September 2018

Three cyclophanes with the formula (C28H31PS3)n, where n = 1 or 2, were isolated from the base‐promoted macrocyclization of tris(2‐mercaptophenyl)phosphine (4) and tris(3‐bromopropyl)methane (5). Spectroscopic and X‐ray analysis showed them to be the in,in‐isomer 1, the in,out‐isomer 2, and a dimeric in,out,in,out‐isomer 3. Compounds 1 and 3 display approximately C3‐symmetric and Ci‐symmetric structures, respectively, in the crystal, but compound 2 adopts two distinct low‐symmetry conformations in the solid state. In each case, the observed structures correspond to the lowest energy conformations of their respective isomers as calculated at the B3PW91/6‐31G(d) level of theory. The in,in‐isomer 1 displays a close contact between the phosphine in‐lone pair and the in‐methine group, with through‐space spin–spin coupling constants of JPH = 9 Hz and JPC = 24 Hz, the latter of which appears to be the largest reported phosphorus‐carbon through‐space coupling constant.
Bicyclic Heterocycles from Levulinic Acid through a Fast and Operationally Simple Diversity‐Oriented Multicomponent Approach
Authors: Lambruschini Chiara , Basso Andrea , Moni Lisa , Pinna Alessandro , Riva Renata , Banfi Luca
Published: September 2018

Levulinic acid, which is one of the most important renewable building blocks derived from lignocellulosic biomass, has been converted in a diversity‐oriented manner into two families of drug‐like bicyclic nitrogen heterocycles. The methodology, endowed with high step economy and operational simplicity, is based on an Ugi multicomponent reaction, which employs amino alcohols as components, followed by a SN2 cyclization. Noteworthy is the successful synthesis of hexahydro pyrrolodiazepinediones, since the cyclization of the isocyanide‐derived secondary amide onto an alcohol to give a seven‐membered ring was unprecedented. Also enantiopure products have been prepared by using chiral amino alcohols.
Investigation of Glycosyl Nitrates as Building Blocks for Chemical Glycosylation
Authors: Wang Tinghua , Singh Yashapal , Stine Keith J. , Demchenko Alexei V.
Published: September 2018

Glycosyl nitrates are important synthetic intermediates in the synthesis of 2‐amino sugars, 1,2‐orthoesters or, more recently, 2‐OH glucose. However, glycosyl nitrates have never been glycosidated. Presented herein is our first attempt to use glycosyl nitrates as glycosyl donors for O‐glycosylation. Lanthanide triflates showed good affinity to activate the nitrate leaving group.
A review on solar‐assisted gas turbines
Authors: Ahmadi Mohammad H. , Alhuyi Nazari Mohammad , Ghasempour Roghayeh , Pourfayaz Fathollah , Rahimzadeh Mohammad , Ming Tingzhen
Published: September 2018

The thermal energy of the sun can be used for electricity generation. Solar thermal energy can be applied with fossil fuels or independently in order to reduce the cost of generated electricity and CO2 emission. Several cycles are introduced to extract solar thermal energy to be used in power plants. Brayton cycles, Rankine‐Brayton cycles, and supercritical Brayton cycles are among the most conventional ones. Based on the reviewed researches, using solar energy in addition to fossil fuels results in lower carbon dioxide emission and lower levelized cost of the generated electricity. Moreover, thermodynamic and economic analyses of the cycles revealed that heat recovery leads to higher efficiency while increase capital cost. The efficiency of solar‐assisted gas turbines depend on various parameters including pressure ratio, turbine inlet temperature, heat absorber geometry and the performance of the components. The enhancement in the efficiency of the cycles by applying each method depends on the configuration, operating condition. For instance, results have shown that 10% increase in turbine efficiency can led to 6%‐12% improvement in the efficiency of a closed‐Brayton cycle.
Quantitative structure‐property relationship modeling of phosphoric polyester char formation
Authors: Crisan Luminita , Iliescu Smaranda , Ilia Gheorghe , Funar‐Timofei Simona
Published: September 2018

A required characteristic for almost all commercial polymers is to be flame retardant. This can be achieved if they have intrinsic flame‐retardant behavior, or by incorporating in them flame‐retardant materials. Polyphopshpoesters can be used as flame‐retardant materials for other polymers. In the present work, the multiple linear regression (MLR) technique was used for a quantitative structure‐property relationship study of char yields of 32 polyphosphonates and polyphosphates. The polyphosphoesters were modeled by their mer units, which were pre‐optimized using the MMFF94 force field. The molecular descriptors derived from the optimized structures were calculated for the minimum energy conformers, using the InstantJChem and Dragon programs. The polymer char yield was related to the structural descriptors, using MLR calculations, which were combined with a genetic algorithm for variable selection. Several stable MLR models were obtained, which were externally validated using seven compounds, as a test set. Model equations emphasize the important influence of structural descriptors to the polymer charring behavior. The best‐developed regression models contain Randić molecular profiles, Geometry, Topology and Atom‐Weights Assembly, and 3D Molecule Representation of Structures based on Electron diffraction descriptors, which influence positively the char formation. These models were used for the prediction of potential char formation of nine polyphosphonates and polyphosphates.
A sociotechnical design toolkit for bridging the gap between systems‐based analyses and system design
Authors: Read Gemma J. M. , Salmon Paul M. , Goode Natassia , Lenné Michael G.
Published: September 2018

Cognitive work analysis (CWA) is a systems‐based framework for analyzing complex sociotechnical systems; however, its ability to directly inform design has been questioned. The Cognitive Work Analysis Design Toolkit (CWA‐DT) was developed to address this gap. This study describes the development, application, and evolution of the CWA‐DT and examines the extent to which it provides a useful approach to design. The evaluation draws upon five case‐study applications. In three applications, involving the design of public transport ticketing systems, railway level crossing environments and road intersections, the toolkit was used in conjunction with CWA. In addition, we present two case studies where the CWA‐DT was used with other systems‐based analysis frameworks (for the design of incident prevention strategies for led outdoor activities and systemic interventions to improve road safety) to illustrate the flexibility of the toolkit. Based on feedback from participants involved in CWA‐DT design processes, it is concluded that it provides a useful approach for translating human factors analyses into design concepts. Additional applications and adaptations of the approach are encouraged.
Outcome of patients with relapsed or refractory anaplastic large cell lymphoma who have failed brentuximab vedotin
Authors: Chihara Dai , Wong Shannon , Feldman Tatyana , Fanale Michelle A. , Sanchez Larysa , Connors Joseph M. , Savage Kerry J. , Oki Yasuhiro
Published: September 2018

Brentuximab vedotin (BV) is an anti‐CD30 antibody‐drug conjugate that is highly effective in patients with relapsed/refractory anaplastic large cell lymphoma (ALCL). However, survival outcomes following suboptimal response or subsequent relapse are not well known. We conducted a multicenter study analyzing outcomes of patients with relapsed/refractory ALCL who have received BV with a secondary focus on survival after progression following BV. A total of 56 patients were treated with BV for relapsed or refractory ALCL. The overall response rate to BV was 73% with complete response (CR) rate of 46%. The median failure‐free survival and overall survival (OS) after BV were 15.5 month and not reached, respectively. The median duration of response was 27.6 months in patients who achieved CR by BV, while the median OS of those who did not achieve CR by BV was 9.5 months. There was no significant difference in OS between those who underwent stem cell transplant (SCT) and those who did not in patients who achieved CR after BV. However, if patients were in PR after BV, SCT was associated with significantly longer OS. Thirty patients experienced progressive disease on BV or required a subsequent treatment. The median OS after BV failure was 2.9 months with 2‐year OS of 27.1%. There were seven long‐term survivors (≥12 months) following failure. After an adequate response to subsequent salvage therapy, five patients underwent subsequent SCT (three allogeneic and two autologous), four of which were long‐term survivors (17+, 25+, 32+, and 50+ months). In conclusion, BV failure is associated with a poor outcome in patients with ALCL, which defines a small but important group with unmet need. SCT may have benefit in patients with relapsed/refractory ALCL who failed BV.
Comparing the usefulness and applicability of different water footprint methodologies for sustainable water management in agriculture
Authors: Le Roux Betsie , van der Laan Michael , Gush Mark B. , Bristow Keith L.
Published: September 2018

The lack of sustainability of our water resources threatens food security in many places worldwide. Different water footprint (WF) methodologies were investigated for their ability to improve water management at various scales. Methodologies according to the Water Footprint Network (WFN), life cycle assessment (LCA) and hydrological‐based approaches were assessed, and a working example is given for apples produced in South Africa. A fundamental viewpoint was defined and the knowledge hierarchy applied to investigate the approaches and information generated. WFs reported simply as a volume of water used per mass of crop produced cannot indicate the sustainability of the water use unless interpreted within the local hydrological and environmental context. The WFN methodology appears most useful to resource managers due to its quantitative nature and ability to compare blue and green water consumption versus water availability. The LCA approach may be best for comparisons of the impact of different products. None of the methodologies provides a single metric that can be used to inform wise consumer choices as it is not possible to incorporate all the complexities associated with water use into a single number that can be used to inform sustainable water use. © 2018 John Wiley & Sons, Ltd.
A Functional Comparison of Treatment of Intrinsic Sphincter Deficiency with Muscle‐Derived and Adipose Tissue‐Derived Stem Cells
Authors: Cui Lingang , Meng Qingjun , Wen Jianguo , Gao Zhan , Yan Zechen , Tian Yudong , Xu Pengchao , He Xianfei , Yu Haizhou , Lian Pengchao
Published: September 2018

This study investigated the effect of muscle‐derived stem cells (MDSCs) and adipose tissue‐derived stem cells (ADSCs) in the treatment of stress urinary incontinence (SUI) and their differences in a rat model. MDSCs and ADSC were isolated from rats (n = 10), examined for their properties, and labeled with enhanced green fluorescent protein (EGFP) and β‐galactosidase (β‐gal) gene. Rats received bladder‐neck and transurethral sphincter injection of EGFP‐labeled MDSCs and β‐gal gene‐labeled ADSC and injection of D‐Hanks as a control (n = 24 each group). At 0, 15, 30, and 60 days after cells injection, urinary voiding function was assessed by urine dynamics detector. The rats were killed to harvest their urethras for tracking of MDSCs and ADSC. Western blotting and quantitative real‐time reverse transcription PCR (qRT‐PCR) was performed to detect smooth muscle contents. Urodynamic test showed that MDSCs and ADSC improved the function of urination in rats with intrinsic sphincter deficiency (ISD), and effect of MDSCs‐treatment was more pronounced. In addition, histologic analysis showed that the MDSCs and ADSC‐treated groups had significantly higher myosin and α‐smooth muscle actin (α‐SMA) content than the control group. Compared with ADSC‐treated groups, the MDSCs‐treated groups in myosin and α‐SMA content showed the tendency of increase. In summary, MDSCs and ADSCs have obvious effects in the treatment and/or prevention of ISD and transplantation of MDSCs is more effective than ADSC. © 2018 IUBMB Life, 70(10):976–984, 2018
Preclinical three‐dimensional colorectal cancer model: The next generation of in vitro drug efficacy evaluation
Authors: Sensi Francesca , D’Angelo Edoardo , D’Aronco Sara , Molinaro Roberto , Agostini Marco
Published: September 2018

Colorectal cancer (CRC), the third most common cancer diagnosed in both men and women in the United States, shows a highly ineffective therapeutic management. In these years neither substantial improvements nor new therapeutic approaches have been provided to patients. Performing the early lead discovery phases of new cancer drugs in cellular models, resembling as far as possible the real in vivo tumor environment, may be more effective in predicting their future success in the later clinical phases. In this review, we critically describe the most representative bioengineered models for anticancer drug screening in CRC from the conventional two‐dimensional models to the new‐generation three‐dimensional scaffold‐based ones. The scaffold aims to replace the extracellular matrix, thus influencing the biomechanical, biochemical, and biological properties of cells and tissues. In this scenario, we believe that reconstitution of tumor condition is mandatory for an alternative in vitro methods to study cancer development and therapeutic strategies.
T2 Relaxometry and Diffusion Tensor Indices of the Hippocampus and Entorhinal Cortex Improve Sensitivity and Specificity of MRI to Detect Amnestic Mild Cognitive Impairment and Alzheimer's Disease Dementia
Authors: Knight Michael J. , Wearn Alfie , Coulthard Elizabeth , Kauppinen Risto A.
Published: September 2018

Background

Quantitative T2 and diffusion MRI indices inform about tissue state and microstructure, both of which may be affected by pathology before tissue atrophy.

Purpose

To evaluate the capability of both volumetric and quantitative MRI (qMRI) of the hippocampus and entorhinal cortex (EC) for classification of amnestic mild cognitive impairment (aMCI) and Alzheimer's disease dementia (ADD).

Study type

Retrospective cross‐sectional study.

Population

Consecutive cohorts of healthy age‐matched controls (n = 62), aMCI patients (n = 25), and ADD patients (n = 14).

Field strength/sequence

3T using T1‐weighted imaging, T2‐weighted imaging, T2 relaxometry and diffusion tensor imaging (DTI).

Assessment

Montreal Cognitive Assessment and paired associate learning tests for cognitive state. Hippocampal subfield volumes by the automated segmentation of hippocampal subfields system from structural brain images. T2 relaxation time and DTI indices quantified for hippocampal subfields. The fraction of voxels with high T2 values (>20 ms above subfield median) was calculated and regionalized for hippocampus and EC.

Statistical tests

Support vector machine and receiver operating characteristic analyses from cognitive and MRI data.

Results

qMRI classified aMCI and ADD with excellent sensitivity (79.0% and 94.5%, respectively) and specificity (85.6% and 86.1%, respectively), superior to volumes alone (70.0% and 84.5% for respective sensitivities; 82.2 and 91.1 for respective specificities) and similar to cognitive tests (61.7% and 87.5% for respective sensitivities; 88.2% and 90.7% for respective specificities). Regions of high T2 are dispersed throughout each hippocampal subfield in aMCI and ADD with higher concentration than controls, and was most pronounced in the EC. No other individual qMRI marker than EC volume can separate aMCI from ADD, however.

Data conclusion

qMRI markers of hippocampal and entorhinal tissue states are sensitive and specific classifiers of aMCI and ADD. They may serve as markers of a neurodegenerative state preceding volume loss.

Level of Evidence: 2

Technical Efficacy: Stage 3

J. Magn. Reson. Imaging 2019;49:445–455.
Unenhanced Velocity‐Selective MR Angiography (VS‐MRA): Initial Clinical Evaluation in Patients With Peripheral Artery Disease
Authors: Shin Taehoon , Menon Rajiv G. , Thomas Rahul B. , Cavallo Armando U. , Sarkar Rajabraka , Crawford Robert S. , Rajagopalan Sanjay
Published: September 2018

Background

Safe and accurate imaging of the peripheral arterial system is important for diagnosis and treatment planning of patients with peripheral artery disease (PAD).

Purpose

To evaluate image quality and diagnostic performance of unenhanced magnetic resonance angiography (MRA) based on velocity‐selective (VS) magnetization preparation (termed VS‐MRA).

Study Type

Prospective.

Population

Thirty‐one symptomatic PAD patients underwent VS‐MRA. Twenty‐four of them underwent clinical digital subtraction angiography (DSA) examination, 18.8 ± 5.2 days after the MR scans.

Field Strength/Sequence

1.5T MRI that included VS‐MRA (homemade research sequence) and phase‐contrast flow imaging (clinical sequence).

Assessment

Image quality (0: nondiagnostic, 3: excellent) and stenosis severity (0: normal, 3: occlusion) of VS‐MRA images were assessed independently by three reviewers. Arterial signal‐to‐noise‐ratio (SNR) and artery‐to‐muscle contrast‐to‐noise ratio (CNR) were calculated.

Statistical Tests

The sensitivity and specificity of VS‐MRA were calculated for the detection of significant stenosis (>50%) with DSA as the reference standard. Interobserver agreement among the three reviewers was evaluated by using Cohen κ‐statistics.

Results

The image quality score of VS‐MRA was 2.7 ± 0.5 for Reader 1, 2.8 ± 0.5 for Reader 2, and 2.8 ± 0.4 for Reader 3; SNR and CNR were 37.8 ± 12.5 and 30.5 ± 11.8, respectively. Segment‐based analysis revealed that VS‐MRA had sensitivities of 85.3%, 74.5%, and 78.4%, respectively, for the three reviewers, and specificities of 93.5%, 96.8%, and 95.2%. The interobserver agreement for the stenosis grading was good, as demonstrated by Cohen κ values of 0.76 (Reader 1 vs. Reader 2), 0.82 (Reader 1 vs. Reader 3), and 0.79 (Reader 2 vs. Reader 3).

Data Conclusion

Unenhanced VS‐MRA allows clear depiction of the peripheral arteries and accurate stenosis grading, as evidenced by high image quality scores and strong agreement with DSA.

Level of Evidence: 2

Technical Efficacy: Stage 2

J. Magn. Reson. Imaging 2019;49:744–751.
Mathematical models for the description of soil genesis
Authors: Hornig Winfried
Published: September 2018

To capture the development of soils and their properties mathematically or even predict the formation of soils for certain times and places is a tempting idea of science and has continued a subject of discussions for decades. Soil formation and soil properties depend on soil forming factors. In his Fundamental Equation, Jenny defines soil as a function of climate, organisms, topography, parent material and time. The equation should be used to determine the role of one single variable, when all other factors remain constant. However, the Fundamental Equation gives the impression that all processes are determined and soils as a whole can be calculated. But the factors influence the soil formation only indirectly via the effect on several soil forming processes. It seems to be impossible to understand every detail of soil development completely or to reduce such a complex system to only one considerable value. By this reason, several functions, based on different scientific theories, shall help to discover less or more isolated processes of soil formation. The so‐called Logistic Equation, created to calculate the development of animal populations, may help to describe soil formation as a whole. The combination of the Logistic Equation and the Fundamental Equation results in iterative series of equations with changing steps of soil genesis. They repeatedly take the place of parent material factor and so soil becomes a factor of its own development. Additionally, time can be eliminated as a factor to be considered, because it is taken into account by the series of equations. Important changes of the external factors of the Fundamental Equation result in a new equation series as a part of the whole equation system. Interactions and retroactive effects can be considered and the possibility of iterative computation may lead to a better simulation of the complex system soil. Thus, the presented approach can be a starting point for a modern mathematical model for calculating soil genesis in general.
Lymph node metastases in splenic flexure colon cancer: Is subtotal colectomy warranted?
Authors: Manceau Gilles , Mori Arnaud , Bardier Armelle , Augustin Jeremy , Breton Sylvie , Vaillant Jean‐Christophe , Karoui Mehdi
Published: September 2018

Background and Objectives

Tumors of the splenic flexure (TSF) can be associated with metastatic lymph nodes (LN) along the left colic pedicle, but also along the superior mesenteric vessels. We aimed to detail the anatomical distribution of metastatic LNs in patients undergoing elective subtotal colectomy for TSF.

Method

Between 2000 and 2016, 65 patients were included. At pathological analysis, LNs were classified into two groups: locoregional LN (along the left colic artery) and distant LN (along the middle colic, right colic, and ileocolic arteries).

Results

The median number of LNs examined was 20. Eighteen patients (27%) were pN+. Among them, six (33% of pN+ patients and 9% of the series) had at least one positive distant LN. All these patients had a positive distant LN along the right colic artery. These patients had a significantly advanced stage and more positive LNs than the others (stage III‐IV: 100% vs 22%, P = 0.0009 and 6 [3‐15] vs 0 [0‐15], P < 0.0001, respectively). The presence of synchronous metastases was predictor of metastatic distant LNs (P = 0.042).

Conclusion

Elective subtotal colectomy for TSF allows to discover distant positive LNs in nearly 10% of patients. For those having TSF and synchronous metastatic disease enable to resection, subtotal colectomy should be recommended.
Introducing fluorescence guided surgery into orthopedic oncology: A systematic review of candidate protein targets for Ewing sarcoma
Authors: Bosma Sarah E , van Driel Pieter BAA , Hogendoorn Pancras CW , Dijkstra PD Sander , Sier Cornelis FM
Published: September 2018

Ewing sarcoma (ES), an aggressive bone and soft‐tissue tumor, is treated with chemotherapy, radiotherapy, and surgery. Intra‐operative distinction between healthy and tumorous tissue is of paramount importance but challenging, especially after chemotherapy and at complex anatomical locations. Near infrared (NIR) fluorescence‐guided surgery (FGS) is able to facilitate the determination of tumor boundaries intra‐operatively, improving complete resection and therefore survival. This review evaluates potential ES‐specific proteins from the literature as targets for NIR FGS.
The impact of Middle Eastern Origin, HIV, HCV, and HIV/HCV co‐infection in the development of hypovitaminosis D in adults
Authors: Warraich Saad , Sidhu Aven , Hou Michelle , Alenezi Osamah
Published: September 2018

Background

A relationship between hypovitaminosis D and infection with HIV and HCV has been established in the scientific literature. Studies comparing these illnesses to other risk factors for development of hypovitaminosis D, such as being of Middle Eastern origin, have been lacking. The goals of this study were: (a) to document vitamin D levels in groups of individuals at high risk of developing its deficiency, (b) analyze the data collected to numerically determine which group had the lowest average vitamin D levels, and (c) discuss the impact of the findings and offer possible explanations.

Methods

This retrospective observational study involved reviewing medical charts and documenting recent vitamin D levels. Our subgroups were: (a) individuals infected with HIV, (b) individuals infected with HCV, (c) individuals co‐infected with HIV/HCV, and (d) people of Middle Eastern origin. The gathered data was subsequently subjected to statistical analysis.

Results

People of Middle Eastern origin were found more likely to be vitamin D deficient as compared to those infected with HIV, HCV, or co‐infected with both HIV and HCV.

Conclusion

This suggests that genetic and environmental factors unique to otherwise healthy Middle Eastern people are more detrimental, in terms of developing hypovitaminosis D, than being chronically infected with the aforementioned illnesses.