bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regioselective Addition of Dithiophosphinic Acids to Vinyl Sulfides and Selenides: An Efficient Route Toward Functional Dithiophosphinates
Authors: Oparina Ludmila A. , Artem'ev Alexander V. , Kolyvanov Nikita A. , Vysotskaya Oksana V. , Chernysheva Nataliya A. , Smirnov Vladimir I. , Borodina Tatyana N. , Gusarova Nina K. , Trofimov Boris A. 
Published: September 2014

ABSTRACTEarlier unknown S‐[1‐(organosulfanyl)ethyl]‐ and S‐[1‐(organoselenyl)ethyl] dithiophosphinates were synthesized in 85–97% yields by regioselective addition of dithiophosphinic acids to diverse vinyl sulfides and selenides under mild conditions (ambient temperature, Et2O, 3 h).
Characteristic molecular and proteomic signatures of drug‐induced liver injury in a rat model
Authors: Eun Jung Woo , Bae Hyun Jin , Shen Qingyu , Park Se Jin , Kim Hyung Seok , Shin Woo Chan , Yang Hee Doo , Jin Chan Young , You Jueng Soo , Kang Hyun Joo , Kim Hoguen , Ahn Young Min , Park Won Sang , Lee Jung Young , Nam Suk Woo 
Published: September 2014

ABSTRACTDrug‐induced liver injury (DILI) is a major safety concern during drug development and remains one of the main reasons for withdrawal of drugs from the market. Although it is crucial to develop methods that will detect potential hepatotoxicity of drug candidates as early and as quickly as possible, there is still a lack of sensitive and specific biomarkers for DILI that consequently leads to a scarcity of reliable hepatotoxic data. Hence, in this study, we assessed characteristic molecular signatures in rat liver treated with drugs (pyrazinamide, ranitidine, enalapril, carbamazepine and chlorpromazine) that are known to cause DILI in humans. Unsupervised hierarchical clustering analysis of transcriptome changes induced by DILI‐causing drugs resulted in three different subclusters on dendrogram, i.e., hepatocellular, cholestatic and mixed type of DILI at early time points (2 days), and multiclassification analysis suggested 31 genes as discernible markers for each DILI pattern. Further analysis for characteristic molecular signature of each DILI pattern provided a molecular basis for different modes of DILI action. A proteomics study of the same rat livers was used to confirm the results, and the two sets of data showed 60 matching classifiers. In conclusion, the data of different DILI‐causing drug treatments from genomic analysis in a rat model suggest that DILI‐specific molecular signatures can discriminate different patterns of DILI at an early exposure time point, and that they provide useful information for mechanistic studies that may lead to a better understanding of the molecular basis of DILI. Copyright © 2014 John Wiley & Sons, Ltd.
Influence of the nanostructure of F‐doped TiO2 films on osteoblast growth and function
Authors: Lozano Daniel , Hernández‐López Juan M. , Esbrit Pedro , Arenas Maria A. , Gómez‐Barrena Enrique , de Damborenea Juan , Esteban Jaime , Pérez‐Jorge Concepción , Pérez‐Tanoira Ramón , Conde Ana 
Published: September 2014

AbstractThe aim of this study was to evaluate the proliferation and mineralization ability of mouse osteoblastic MC3T3‐E1 cells on F‐containing TiO2 films with different morphology and nanostructure that previously confirmed antibacterial properties. F‐containing TiO2 films were fabricated by anodizing Ti‐6Al‐4V alloy ELI ‐grade 23. By using a mixture of H2SO4/HF acid at 20 V for 5 and 60 min, a TiO2 film grows with nanoporous (NP) and nanotubular (NT) features, characterized with a pore diameter of 20 and 100 nm, respectively. Fluoride‐TiO2 barrier films (FBL) were produced in 1M NH4H2PO4/0.15M NH4F solution at constant voltage controlled at 20 V for 120 min. The amount of F incorporated in the nanostructured oxide films was 6 at % and of 4 at %, for the NP and NT, respectively, while for the FBL film was 12 at %. MC3T3‐E1 cells exhibited different behavior when seeded and grown onto these surfaces. Thus, F‐doped TiO2 films with NP structures increased proliferation as well as osteogenic gene expression and the mineralization capacity of these osteoblastic cells. These results confirm that anodizing process is suitable to fabricate multifunctional surfaces on Ti‐6Al‐4V alloy with improved not only antibacterial but also osteogenic properties useful for bone fixation of prosthetic devices © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 103A: 1985–1990, 2015.
Housing experimental rats in solid‐based cages with digestible bedding may confound outcomes of nutritional studies
Authors: Le Leu Richard K , Conlon Michael A , Bird Anthony R , Clarke Julie M 
Published: September 2014

AbstractBACKGROUNDRats used in nutritional studies are often kept in wire‐based cages to prevent ingestion of bedding and minimise ingestion of faeces. However, wire‐based cages are criticised because of potential negative animal welfare implications. This study investigated the effects of wire and solid‐based cages with corncob bedding on large bowel fermentation and microbiota. Rats were group housed in wire or solid‐based cages and fed either a low‐fibre (LF) diet or a high‐fibre (HF) diet composed of resistant starch for 4 weeks.RESULTSBedding material was observed in faeces of rats housed in solid‐based cages. Caging type and diet altered large bowel fermentation variables and bacterial populations. Caecal digesta weight was lower in rats fed HF diet and maintained on bedding than in HF‐fed rats maintained on wire. Bacteria abundance associated with fibre fermentation was higher in LF‐diet fed rats maintained on bedding compared with LF‐fed rats housed on wire.CONCLUSIONMaintaining rats in solid‐based cages with corncob bedding alters large bowel fermentation and bacterial communities owing to ingestion of bedding. These changes may confound outcomes of nutritional studies, particularly those investigating the health effects of fibres. The use of wire‐based caging may be justified in research of this type. © 2014 Society of Chemical Industry
Deforestation and Cultivation with Maize (Zea mays L.) has a Profound Effect on the Bacterial Community Structure in Soil
Authors: Gómez‐Acata Elizabeth Selene , Valencia‐Becerril Isaias , Valenzuela‐Encinas Cesar , Velásquez‐Rodríguez Alma Socorro , Navarro‐Noya Yendi Ebenezer , Montoya‐Ciriaco Nina , Suárez‐Arriaga Mayra Cecilia , Rojas‐Valdez Aketsally , Reyes‐Reyes Basilio Gabriel , Luna‐Guido Marco , Dendooven Luc 
Published: September 2014

AbstractIn this study, the effect of deforestation and cultivation of maize (Zea mays L.) on the physicochemical characteristics and the bacterial community structure in soil were studied at the national park Área de Protección de Flora y Fauna Nevado de Toluca in Mexico. Soil was sampled from three forested areas in the national park, from three deforested areas grazed by animals and from three areas cultivated with maize. The soil was characterized chemically and biologically, whilst the bacterial community structure was investigated through 454 pyrosequencing of the 16S rRNA gene. The pH in the forest soil decreased from 6·1 to 5·3 in the maize‐cultivated soil, whilst the soil organic C content decreased 1·4 times in the arable soil compared with the forest soil. The microbial biomass C decreased 2·9 times in the arable soil compared with the forest soil, but the metabolic quotient qCO2 (ratio basal respiration to microbial biomass C) nearly doubled. Deforestation and maize cultivation reduced the abundance of Proteobacteria, Actinobacteria and Bacteroidetes, whereas Acidobacteria, Chloroflexi, Gemmatimonadetes and Firmicutes were resistant to these changes. It was found that soil characteristics were affected negatively by deforestation and nearly half of the organic matter was lost, and on these sloped fields, erosion will be high, further decreasing soil fertility. Although the relative abundance of a number of bacterial groups was reduced by deforestation, others were not affected by land‐use change. Copyright © 2014 John Wiley & Sons, Ltd.
Ugi Reactions with CO2: Access to Functionalized Polyurethanes, Polycarbonates, Polyamides, and Polyhydantoins
Authors: Sehlinger Ansgar , Schneider Rebekka , Meier Michael A. R. 
Published: September 2014

A novel strategy for the incorporation of carbon dioxide into polymers is introduced. For this purpose, the Ugi five‐component condensation (Ugi‐5CC) of an alcohol, CO2, an amine, an aldehyde, and an isocyanide is used to obtain step‐growth monomers. Polymerization via thiol‐ene reaction or polycondensation with diphenyl carbonate gives diversely substituted polyurethanes or alternating polyurethane‐polycarbonates, respectively. Furthermore, the application of 1,12‐diaminododecane and 1,6‐diisocyanohexane as bifunctional components in the Ugi‐5CC directly results in the corresponding polyamide bearing methyl carbamate side chains ( = 19 850 g mol−1). The latter polymer is further converted into the corresponding polyhydantoin in a highly straightforward fashion.
image
‘Hope for safe prenatal gene tests’. A content analysis of how the UK press media are reporting advances in non‐invasive prenatal testing
Authors: Lewis Celine , Choudhury Mahrufa , Chitty Lyn S. 
Published: September 2014

AbstractObjectiveTo investigate how non‐invasive prenatal testing (NIPT) is portrayed in the UK press media.MethodsContent analysis of the ten most widely circulated print/digital news sources in the UK.ResultsSeventy‐nine articles were identified focusing on NIPT for Down syndrome (n = 67) including single gene disorders (n = 5), whole genome sequencing (n = 8), NIPT technology (n = 2), Rhesus D (n = 1) and fetal sex determination (n = 1). The majority (63%) were in ‘serious’ papers. Test attributes were frequently cited (100%), in particular that NIPT is a blood test (89%) and avoids risk of miscarriage (56%). The main psychosocial benefit reported was increased time for decision‐making (15%). Concerns were discussed less frequently than benefits (39%), with increase in termination rates the main concern raised (23%). The majority of headlines (52%) projected a positive frame towards NIPT. Regarding overall framing of articles, over two thirds (68%) presented benefits and concerns or limitations; however, only a third (35%) were considered ‘balanced’.ConclusionPositive reporting of NIPT in the UK news media reflects the publics' broadly optimistic view towards genomic technology and prenatal testing. Health professionals should be aware that women may have incomplete information or misunderstandings about NIPT. Pre‐test counselling to ensure informed decision‐making is therefore important. © 2014 John Wiley & Sons, Ltd.
Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
Authors: Fox Stephen J. , Dziedzic Jacek , Fox Thomas , Tautermann Christofer S. , Skylaris Chris‐Kriton 
Published: September 2014

ABSTRACTIn drug optimization calculations, the molecular mechanics Poisson‐Boltzmann surface area (MM‐PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature. To assess the effect of the force field on the calculation of binding energies, in this article we use large‐scale density functional theory (DFT) calculations as an alternative method to evaluate the energies of the configurations in a “QM‐PBSA” approach. Our DFT calculations are performed with a near‐complete basis set and a minimal parameter implicit solvent model, within the self‐consistent calculation, using the ONETEP program on protein–ligand complexes containing more than 2600 atoms. We apply this approach to the T4‐lysozyme double mutant L99A/M102Q protein, which is a well‐studied model of a polar binding site, using a set of eight small aromatic ligands. We observe that there is very good correlation between the MM and QM binding energies in vacuum but less so in the solvent. The relative binding free energies from DFT are more accurate than the ones from the MM calculations, and give markedly better agreement with experiment for six of the eight ligands. Furthermore, in contrast to MM‐PBSA, QM‐PBSA is able to correctly predict a nonbinder. Proteins 2014; 82:3335–3346. © 2014 Wiley Periodicals, Inc.
Molecular assessment of predation by hoverflies (Diptera: Syrphidae) in Mediterranean lettuce crops
Authors: Gomez‐Polo Priscila , Alomar Oscar , Castañé Cristina , Lundgren Jonathan G , Piñol Josep , Agustí Nuria 
Published: September 2014

AbstractBACKGROUNDHoverflies (Diptera: Syrphidae) are generalist predators of a great variety of pests. Nasonovia ribisnigri (Hemiptera: Aphididae) and Frankliniella occidentalis (Thysanoptera: Thripidae) are two common pests in Mediterranean lettuce crops, where they occur alongside alternative prey (e.g. Collembola). A semi‐field experiment was conducted in an experimental lettuce plot where hoverfly predation on N. ribisnigri, F. occidentalis and Collembola was studied by conventional PCR and qPCR using specific primers, as well as by next‐generation sequencing (NGS) in order to reveal other potential trophic interactions.RESULTSTrophic linkages between hoverflies and N. ribisnigri were the strongest both in spring and summer. F. occidentalis and Collembolans were also detected in both seasons, but with less frequency. qPCR detected a higher frequency of consumption than conventional PCR when both tests were run at optimal conditions. NGS analyses showed intraguild predation on other hoverfly species, as well as on anthocorids, spiders and even aphid parasitoids.CONCLUSIONSConventional PCR and qPCR provided important insights into Mediterranean hoverfly species predation on target pest and non‐pest prey. NGS gave a complementary approach revealing a broader diet of these predators within the studied ecosystem. © 2014 Society of Chemical Industry
Novel control methods for insect pests: development of a microencapsulation procedure for proteinaceous bioactives intended for oral delivery
Authors: Richards Elaine H , Wontner‐Smith Tim , Bradish Hannah , Dani M Paulina , Cotterill Jane V 
Published: September 2014

AbstractBACKGROUNDThe objective was to develop an environmentally favourable microcapsule suitable for delivery of proteinaceous bioactive agents (‘bioinsecticides’) to pest insects.RESULTSUtilising feeding bioassays, we determined that microspheres made of alginate can be produced in a variety of sizes and are palatable and non‐toxic to larvae of the lepidopteran pest Lacanobia oleracea. Dehydrated microspheres were also readily ingested by larvae. Using a novel feeding bioassay and alginate microspheres containing a fluorescent marker material (coumarin 7 encapsulated in styrene maleic anhydride beads), we determined that the microspheres successfully deliver the marker to the insect gut. Moreover, the alginate microspheres rapidly break down in the alkaline conditions of the insect gut and release their contents, the beads passing through the gut in 2–3 h. Using bovine serum albumin as a test protein and western blotting, it was determined that alginate can successfully encapsulate protein, and that the microspheres can be stored in a CaCl2 solution for up to 24 days without extensive leakage. Importantly, it was also determined that alginate and the microsphere‐making procedure developed do not inactivate rVPr1 (an insect immunosuppressive protein and potential bioinsecticide).CONCLUSIONSAn alginate‐based microsphere has potential to deliver the proteinaceous bioactive rVPr1 to pest insects. © 2014 Crown copyright. Pest Management Science © 2014 Society of Chemical Industry
The Impact of Standard Protocol Implementation on the Quality of Colorectal Cancer Pathology Reporting
Authors: Ihnát Peter , Delongová Patricie , Horáček Jaroslav , Ihnát Rudinská Lucia , Vávra Petr , Zonča Pavel 
Published: September 2014

AbstractBackgroundThe aim of the study is to assess the influence of standardized protocol implementation on the quality of colorectal cancer histopathology reporting.MethodsA standardized protocol was created based on the recommendations of The College of American Pathologists. The impact of this protocol was measured by comparing frequencies of assessed parameters in histopathology reports before and after implementation.ResultsIn total, 177 histopathology reports were included in this study. The numbers of harvested lymph nodes were 12.4 ± 5.2 (colon) and 12.6 ± 5.4 (rectum) before protocol; and 17.1 ± 6.5 (colon), and 16.6 ± 7.0 after protocol implementation; differences were statistically significant. The recommended minimum of 12 lymph nodes was not achieved in 42.8 % (colon) and 45.7 % (rectum) of specimens before, and in 10.4 % (colon) and 17.7 % (rectum) of specimens after protocol implementation; differences were statistically significant. There were no differences in histopathology assessment of proximal and distal resection margins, grading assessment, TNM staging recording, and number of positive findings of microscopic tumor aggressiveness. The findings of tumor budding, tumor satellites, and assessment of microscopic tumor aggressiveness were more frequent after protocol implementation. Histopathology reports of rectal specimens contained assessments of the macroscopic quality of mesorectum, circumferential resection margin, and neoadjuvant therapy effect (if administered) only after protocol introduction.ConclusionsA standardized protocol is a valuable and effective tool for improving the quality of histopathology reporting. Its implementation is associated with more precise specimen evaluation, higher numbers of harvested lymph nodes, and improved completeness of histopathology reports.
A Cohort Model of Fertility Postponement
Authors: Goldstein Joshua R. , Cassidy Thomas 
Published: September 2014

Abstract
We introduce a new formal model in which demographic behavior such as fertility is postponed by differing amounts depending only on cohort membership. The cohort-based model shows the effects of cohort shifts on period fertility measures and provides an accompanying tempo adjustment to determine the period fertility that would have occurred without postponement. Cohort-based postponement spans multiple periods and produces “fertility momentum,” with implications for future fertility rates. We illustrate several methods for model estimation and apply the model to fertility in several countries. We also compare the fit of period-based and cohort-based shift models to the recent Dutch fertility surface, showing how cohort- and period-based postponement can occur simultaneously.
Potential risk of port‐site adhesions in patients after laparoscopic myomectomy using radially expanding trocars
Authors: Kumakiri Jun , Kikuchi Iwaho , Kitade Mari , Jinushi Makoto , Shinjyo Azusa , Takeda Satoru 
Published: September 2014

AbstractObjectiveTo investigate the incidence of port‐site adhesions following use of radially expanding trocars (RETs) at laparoscopic myomectomy by observation via second‐look laparoscopy (SLL).MethodsIn a retrospective study, data from patients who underwent SLL after laparoscopic myomectomy between January 2007 and June 2012 at Juntendo University Hospital, Tokyo, were assessed for the incidence of port‐site adhesions forming below RET incisional scars when fascial and peritoneal defects had not been closed.ResultsDuring the study period, 554 patients underwent SLL, and 2176 incisional scars were examined. Adhesions were detected in 15 patients (2.8%); thus, the incidence of port‐site adhesions under scars was 0.7% (15/2176). Among these 15 patients, the wounds with adhesions were located as follows: 6 (1.1%) under the umbilical scar, 5 (0.9%) under the right lower abdominal scar, 2 (0.4%) under the left upper abdominal scar, and 2 (0.4%) under the left lower abdominal scar. According to multiple regression analysis, the duration of laparoscopic myomectomy was positively associated with port‐site adhesions (odds ratio, 1.79; 95% confidence interval, 1.09–2.94; P = 0.02).ConclusionThe present data suggest that the incidence of port‐site hernias and adhesions under RET incisional scars is low despite the non‐closure of fascial and peritoneal defects.
Admission to and Continuation of Inpatient Stroke Rehabilitation in Queensland, Australia: A Survey of Factors that Contribute to the Consultant's Decision
Authors: Hayward Kathryn S. , Aitken Philip D. , Barker Ruth N. , Brauer Sandra G. 
Published: September 2014

Aim: To evaluate factors that may contribute to the decision of the consultant medical officer (CMO) to: (1) admit a person with stroke to inpatient rehabilitation from acute hospitalisation; and (2) continue or cease inpatient rehabilitation.Methods: A web-based survey of CMOs practising in Queensland Australia, who were members of the Australian and New Zealand Society of Geriatric Medicine (n ~ 90) or the Queensland Stroke Clinical Network (n ~ 30) was completed. The survey contained two sections to explore factors that could: (1) favour or disfavour admission to inpatient rehabilitation from acute hospitalisation; and (2) favour continuation or cessation of inpatient rehabilitation. Open and closed questions were used.Results: Twenty-one CMOs (13–20% response rate, 43% geriatrician) completed the survey. Factors related to physical function, along with the presence of social supports favoured admission, while the presence of behavioural and cognitive impairments and a lack of staff capacity disfavoured admission. Improvements in function favoured continuation of inpatient rehabilitation, while a lack of improvement favoured cessation.Conclusion: Factors related to the patient, their social support network and the organisation were found to influence the decision of the CMO to admit a person with stroke to inpatient rehabilitation from acute hospitalisation. Once in rehabilitation, demonstration of benefit was consistently reported to indicate continued service need.
Breakout Session 2 Summary: Health Planning for All Phases of a Disaster Including Risk Assessment with Concern for Vulnerable Populations
Authors: Sugawara Junichi , Yeskey Kevin 
Published: September 2014

Cross-cutting Principle∙Development of public health communications that connect people and communities to their health resources and needs before, during and after a disaster∙Reduction of health disparities to vulnerable populations as a result of a disaster. An end state should be that every population with similar exposures/incidents have identical health outcomes.∙Public health/disaster preparedness as a shared responsibility that starts at the individual and grows to the community/state
Breakout Session 3 Summary: Psychosocial/Mental Health Concerns and Building Community Resilience
Authors: Tomita Hiroaki , Ursano Robert J. 
Published: September 2014

Cross-cutting Principle∙Mental health working group supports the “proposed Key messages – People’s health” of the WHO. Proposed key messages are fundamental principles in support of health including mental health. Our work group’s statement builds on these principles to emphasize the importance of attending to mental health across all phases of Disaster Risk Management (DRM): prevention, preparedness, response, and recovery.∙Changing behaviors can affect a large outcome from disasters∙Strategic and tactical approaches to include mental health in the curriculum∙Strong emphasis on using WHO language to maintain the same universal terminology