bluuebunny/crossref_metadata_2025 huggingface dataset:
Relationships among barodontalgia prevalence, altitude, stress, dental care frequency, and barodontalgia awareness: a survey of Turkish pilots
Authors: Topbaş Celalettin , Şirin Dursun Ali , Gezeravcı Hilal , Özçelik Fatih , Erdem Hepşenoğlu Yelda , Erşahan Şeyda
Published: April 2024

Background

Gas expansion in body cavities due to pressure changes at high altitudes can cause barodontalgia. This condition may compromise flight safety.

Aim

To investigate relationships among barodontalgia awareness, dental visit frequency, and barodontalgia prevalence in civilian and military pilots operating at high altitudes.

Materials and Methods

Civilian pilots from Turkish Airlines and military pilots from the Turkish Air Force, flying between November 2022 and January 2023, participated in this study. A 20-question survey was administered to 750 pilots, covering topics such as barodontalgia awareness, dental visit frequency, breaks after dental treatments, in-flight pain, and pain type and severity. The voluntary surveys were distributed by email.

Results

Of the 750 pilots, 526 completed the survey; 61% were aware of barodontalgia, and 81% of pilots who had experienced it reported pain at altitudes <2000 feet. The study revealed higher barodontalgia awareness among pilots who had experienced it, with the highest prevalence among jet pilots. Pilots with barodontalgia also showed a higher frequency of dental visits (p < 0.001). Additionally, this group reported more frequent interruption of flight due to dental treatment (IFDT), more problems experienced in flights after treatment (PFAT), and higher instances of bruxism or teeth clenching during flight, suggesting stress and anxiety (p < 0.05).

Conclusions

Barodontalgia, a type of pain linked to stress, significantly impacts pilot performance, and can threaten flight safety, even at lower altitudes. Thus, there is a need to educate pilots about stress management, barodontalgia awareness, and the importance of regular dental check-ups.
Análise de desperdício no processo de acoplagem de folhas de papel em uma empresa do ramo gráfico
Authors: Izidoro Giovani , Bristot Vilson Menegon , Guimarães Milla Lúcia Ferreira , Guimarães Filho Leopoldo Pedro
Published: April 2024

No mercado gráfico para manter a competitividade e a excelência entre seus concorrentes, as organizações buscam melhorar cada vez mais o desempenho de seus produtos e processos. Diante dessa perspectiva, a melhoria na qualidade é imprescindível quando se busca reduzir desperdícios e eliminar causas de falhas, garantindo a boa performance dos recursos disponíveis e a viabilidade econômica do negócio. O presente estudo teve como objetivo analisar os defeitos que causam desperdícios no processo de acoplagem, na fabricação de embalagens em papel, através da utilização do método de resolução de problemas e da aplicação das ferramentas da qualidade. Para o desenvolvimento do estudo, primeiramente, foram levantados os dados iniciais referentes ao desperdício no processo e organizados de forma que facilitassem a análise do problema. Utilizou-se o gráfico de Pareto para identificar os problemas com os maiores índices de perdas, podendo assim priorizar o direcionamento das ações corretivas. Uma reunião de brainstorm com os responsáveis do setor de acoplagem foi realiza, com o intuito de discutir as causas do alto índice de desperdícios no processo e delimitar as ações necessárias para buscar a diminuição das não conformidades, foram padronizadas as instruções de trabalho e treinamentos com os colaboradores. Os resultados apresentados foram satisfatórios, pois houve melhorias na prática do processo de acoplagem, com a redução no número de não conformidades, devoluções e no índice de desperdícios, possibilitando futuramente um aumento da lucratividade..
Impact of Nitrogen and Spacing on Onion (Allium cepa L.) Growth in Southern Tigray, Ethiopia
Authors: Shelema Abrhaley , Hruy Getachew
Published: April 2024

The aim of the study was to evaluate the combined effect of nitrogen fertilizer rates and intra-row spacing on the growth, yield, and yield components of onion. The study was carried out using a factorial arrangement in a randomized complete block design. A field experiment was conducted in the experimental field of Alamata Agricultural Research Center kara Adishabo in 2020 with experimental treatments of Nitrogen fertilizer rates (0, 23, 46, 69, and 92 kg N/ha) and intra-row spacing (5, 10, and 15 cm) with three replications. Results indicated that the interaction effect of nitrogen and intra-row spacing significantly swayed most of the yield and yield components of the onion where the highest maturity date was recorded from the 92 Kg N/ha and 15 cm (140 days) and 69 Kg N/ha and 10 cm (127 days) respectively. The highest (40.01t/ha) and lowest (15.03 t/ha) marketable yields were recorded from the treatment combinations of 69 kg N/ha and 5 cm and 0 kg N/ha and 15 cm respectively. Application of 69 Kg N/ha and 5 cm of intra-row spacing in the study area can lead to maximum yield.
Impact to Integrated Management of Childhood Illness (IMCI) Implementation in Developing Countries: A Literature Review
Authors: Pinto Joaquim , Puspitasari Yenny , Periostiwati Yuli , Tilman Carlos Boavida , Pinto Adelina , Ximenes Estevao Menezes
Published: April 2024

Background: Integrated Management of Childhood Illness (IMCI) is needed to address infant mortality in sub-Saharan African and South Asian countries of 11 million cases, due to diarrheal diseases, pneumonia, measles, malnutrition and newborn care problems. (IMCI) is an approach to sick children carried out integrated by combining promotion, prevention, and treatment services for the five leading causes of death in infants and child’s in developing countries. IMCI is used as a service standard for sick infants and childhood illness and a guideline for health workers, especially nurses and midwives and doctors in primary health care facilities. IMCI contributes significantly to reducing the mortality rate of neonates, infants and child if implemented widely, properly, and correctly.

Purpose: To determine the key of impact to the implementation on integrated management of childhood illnesses (IMCI).

Methods: The design of this study uses systematic review, namely literature research that assess of critically quality health journals, which have been filtered with inclusion criteria and used several Google Scholar, Science Direct and Research Gate databases as literacy in this study. There were 215 results according to the keyword Impact, implementation IMCI and perceptions.

Results: the factors causes to implementation IMCI are supervised by head community health, district authority, attitude of health workers, logistics support, experience, knowledge, and perception of health staffs trained on IMCI determine in process application in each health facility.

Conclusion: Leadership, logistic support, monitoring and supervision and coordination has as impact on IMCI implementation process.
Statistical Assessment of Temperature Trends and Change Points in Telangana State, India
Authors: Laasya Kona Naga Venkata Lakshmi , Kallakuri Supriya , Rathod Santosha , Neelima Lakshmi , Meena Admala , Jyostna Bellamkonda
Published: April 2024

Aim: This study aimed to analyse the trends and changes in long-term monthly and annual temperature patterns in Telangana state, India. For this study monthly temperature data of Telangana state from January 1960 to December 2022 was collected from the IMD website. The linear regression trend line and the non-parametric tests, such as Mann-Kendall test, Modified-Mann Kendall test and Innovative trend analysis tests, were used to understand the trend present in the temperature data of Telangana state. To gain insights into temperature pattern, we applied Pettit's test. This test helps identify the changes in temperature data, contributing to a deeper understanding of the overall trends. Wallis and Moore test was used to test the randomness of the temperature data under consideration.
Results: An Increasing trend pattern was seen in the linear regression trend method for given temperature data. The modified Mann-Kendall test results revealed noteworthy significant trends (* P < 0.05) in January, November, and December, while remaining months showed non-significant trends (NS), suggesting no significant change in temperature patterns. The statistically significant trends (* P < 0.05) were observed in Pre-Summer, Post-Summer, and annual temperature patterns. However, no significant trend (NS) was observed in summer temperatures in the modified Mann-Kendall test. The innovative trend results suggested that most of the trend slopes are positive in nature, indicating an overall increasing trend in temperature for the analysed months and seasonal periods. The Pettit’s test results unveiled significant shifts in temperature across months January, November, December, Pre summer, Post Summer and Annual temperature patterns.
Conclusion: These findings can be valuable for understanding climate patterns and informing decision-making processes related to adaptation and mitigation strategies, and help to create the appropriate policy measures in advance.
Weed Management in Transplanted Paddy in Wetlands under Water Shortage with Alternate Wetting and Drying System of Irrigation
Authors: Paul Ganja Pavani Grace , Joseph P. A. , Katharine S. Praveena , Innazent Anitrosa , Kumar P. Dinesh
Published: April 2024

A field experiment was conducted during the Rabi season of 2023-2024 in the farm of Karunya Institute of Technology and Sciences, Coimbatore, Tamil Nadu to find out an effective weed management system in transplanted paddy under alternate wetting and drying. The experiment was laid out in randomized block design with thirteen treatments and two replications.The results showed that at all stages of observations tallest paddy crop was produced in T13 (continuous submergence in paddy field). The height of paddy crop at harvest was 14.3 % more in T13 than in unweeded control under alternate wetting and drying (T12). Highest number of tillers per plant (16.5) were recorded in T8 which received early post emergence application of Bispyribac sodium @ 0.03 kg ai/ha at 15 DAT + roto weeding at 35 DAT. By 90 DAT highest leaf area index was recorded by pre emergence application of Pyrazosulfuron ethyl along with one  hand weeding at 35 DAT(T6), early post emergence spray of Bispyribac sodium alone (T7), and Bispyribac sodium with one roto weeding at 35 DAT (T8) and Bispyribac sodium and one  hand weeding at 35 DAT (T9). By harvest the dry matter production was the highest in T8 (Bispyribac sodium with one roto weeding at 35 DAT) followed by T9 (Bispyribac sodium with one hand weeding at 35 DAT).Highest production of grains and straw (7362 and 15280 kg ha-1) were also recorded in T8 (early post emergence application of Bispyribac sodium @ 0.03 kg ai/ha at 15 DAT + roto weeding at 35 DAT) closely followed by T9 (early post emergence application of Bispyribac sodium @ 0.03 kg ai/ha at 15 DAT + hand weeding at 35 DAT).
Effects of Nitrogen, Phosphorus and Potassium Level on Growth and Floral Attributes of Gladiolus (Gladiolus grandiflorus L.) cv. Nova Lux
Authors: Singh Jyoti , Kumar Jitendra , Silas Vinay Joseph , Negi Neha , Singh Kaushal , Quatadah Syed Mohd
Published: April 2024

Gladiolus (Gladiolus grandiflorus L.) is a networthy flower crop within India. The crop's growth and flowering have been notably impacted by the prevailing climate and agro-climatic conditions of the region, resulting in decreased yield and productivity. One of the main contributing factors is the absence of fertiliser recommendations tailored to specific locations, among other factors. Thus, a field experiments were conducted for two consecutive seasons during 2020-2021 & 2021–2022. A field study was carried out at the Horticulture Research Farm, Department of Horticulture, Faculty of Agricultural Sciences and Allied Industries, Rama University, Kanpur (U.P.). The experiment used a Randomized Block Design with 13 treatments and three replications of different levels of N, P2O5 and K2O. The experiment's major goals were to assess the effects of N, P2O5 and K2O on growth and floral attributes of Gladiolus (Gladiolus grandiflorus L.) cv. Nova Lux. According to the results of the current study, Treatment T11 (NPK @150:100:120) had the best effects on growth attributes like Days to 50% sprouting [8.65 (2020-21), 8.69 (2021-22) and 8.67 (Pooled)] days, Plant height [77.87 (2020-21), 80.57 (2021-22) and 79.22 (Pooled)] cm at harvest, Number of leaves per plant [8.77 (2020-21), 8.95 (2021-22) and 8.86 (Pooled)] at harvest & Days to emergence of spike [71.45 (2020-21), 71.21 (2021-22) and 71.33 (Pooled)] days. It also had significant effects on flowering attributes like Flowering duration [16.80 (2020-21), 16.92 (2021-22) and 16.86 (Pooled)] days, Length of spike [87.35 (2020-21), 87.79 (2021-22) and 87.57 (Pooled)] cm, Days taken for first floret opening [109.95 (2020-21), 110.25 (2021-22) and 110.10 (Pooled)] days, Length of florets [9.87 (2020-21), 9.93 (2021-22) and 9.90 (Pooled)] cm, Diameter of florets [7.78 (2020-21), 7.87 (2021-22) and 7.83 (Pooled)] cm & Number of florets opened at a time (125 DAP) i.e., [5.67 (2020-21), 5.71 (2021-22) and 5.69 (Pooled)].
Synthesis and Characterization of Crab Shell Based Magnetic Nanoparticles for the Remediation of Abattoir Waste Waters
Authors: Onyeka Anthony Okpalaeze, , Promise Chibuzo Nkwocha,
Published: April 2024

Meat and beef consumption rate in Nigeria has recorded increment leading to increase in abattoirs and lack of control in discarding the waste of the slaughtered animals has heightened the rate of ground water, air and environmental pollutions. In this paper, crab shell based magnetic Nanoparticles were utilized in the purification of waste water from abattoir. The factors considered in the purification process were pH, dosage, initial concentration, temperature and time and the response includes: bio-chemical oxygen demand (BOD), chemical oxygen demand (COD), turbidity and colour. Prior to the experimentation in the laboratory, the central composite design (CCD) of the experimental design was carried to determine the number of levels and the possible number of experimental runs during laboratory experiment. The outcome of the laboratory was used for the response surface methodology (RSM) of which linear and interaction model ware utilized in the determination of the relation between the factors and the responses and the model type was multiple input single output model system (all the factors equated to one response per time). Analysis of variance (ANOVA) tables was utilized in the determination of the model performance for each response to determine the best model suitable for the prediction of the responses. From the results obtained, the R-square values from the ANOVA table showed that the interaction model had a better prediction accuracy of 65.75%, 33.65%, 60.73% and 59.74% for the prediction of BOD, COD, turbidity and colour responses, respectively. The interaction model being the best was deployed for the generation of surface and contour plots to graphically obtain the optimal responses and factors that was utilized as a first guess to the optimization of the model and the final optimal response values obtained were 4.33mg/l, 128.9mg/l, 39.87% and 33.41% for BOD, COD, turbidity and colour, respectively at the optimal factor conditions of 5.5, 0.68g, 260mg/l, 335k and 50min for pH, dosage, initial concentration, temperature and time, respectively.
Betacyanin, Antioxidant Activity and Shelf-life Evaluation of Thermally, Microwave, and Chemically Processed Lime-flavored Dragon Fruit Ready to Serve Beverage
Authors: Patel Dharmendrakumar , Bhise Suresh
Published: April 2024

The exploration regarding the utilization of cacti family fruits into the directly consumable drink is limited. So, study was conducted to explore utilization of local fruit lime for preparation of lime-flavored dragon fruit ready to serve beverage, and processed with thermal, microwave, and chemical treatments to increase the shelf-life of beverage. Standardizing lime juice in dragon fruit ready to serve (RTS) beverages, optimizing thermal, microwave, and chemical treatments, and studying shelf life were the goals of this study. Dragon fruit RTS beverage was made with 12% fruit juice, 12°Brix total soluble solids (TSS), and 0.1% citric acid after a preliminary sensory study. Dragon fruit RTS with 3% lime juice tasted best. The standardized RTS beverage was thermal (70, 80, and 90°C for 5, 10, and 15 min), microwave (900 W power density for 30, 60, 90, 120, and 150 sec), and chemical (500, 1000, and 1500 ppm ascorbic acid incorporation) treated to optimize betacyanin content, antioxidant activity, and sensory evaluation. RTS beverage thermally treated at 70°C for 5 min, a 30-second microwave treatment at 900 W, and RTS beverage with 500 ppm ascorbic acid were found best on betacyanin, antioxidant activity, and sensory basis. The shelf life of optimized RTS beverage was tested at room temperature and refrigerated. During storage at the both temperatures, there were significant variations in pH, TSS, betacyanin content, and sensory qualities. The best retention of betacyanin content was reported on the 6th day of ambient storage for lime-flavored dragon fruit RTS beverage with 500 ppm (10.04 mg/L) with overall acceptability of 5.57. For refrigerator storage, lime-flavored dragon fruit RTS beverage with 500 ppm ascorbic acid retained 24.26 mg/L betacyanin and 5.68 overall acceptability on the 60th day. Additionally, the lime-flavored dragon fruit RTS beverage with 500 ppm ascorbic acid retained betacyanin better than other treatments during ambient and refrigerated storage.
Antibiotic Resistance Profiles of Bacteria Isolated from Patients Hospitalized at the Sylvanus Olympio University Teaching Hospital in Lomé, Togo
Authors: Dossim Sika , Bawe Lidaw D. , Dossouvi Komla M. , Maba Détèma , Lawani Abdoul-Aziz , Godonou Amivi M. , Tchedie Essokedi , Salou Mounerou , Dagnra Anoumou Y. , Prince-David Mireille
Published: April 2024

Aims: Bacteria isolated from hospitalized patients are often responsible for healthcare-associated infections (HAI), particularly in developing countries. Thus, this study aimed to determine the antibiotic resistance profiles of bacteria isolated from patients hospitalized at the Sylvanus Olympio University Teaching Hospital (CHUSO) in Lomé, Togo.

Study Design: This was a descriptive cross-sectional study carried out on laboratory data collected from January 1, 2018, to December 31, 2019.

Methodology: The Kirby-Bauer disc diffusion method was used for antibiotic susceptibility testing and the results were interpreted according to the guidelines of the Antibiogram Committee of the French Society of Microbiology (CA-SFM, 2018).

Results: A total of 639 samples were collected, including mainly pus (n = 339; 53.1%) and urine (n = 260; 40.7%). The samples were mainly from pediatrics (n=107; 16.7%), intensive care units (n=73; 11.4%) and surgical emergencies (n=72; 11.3%). A total of 698 bacteria were isolated, including mainly Escherichia coli (n=247, 35.4%), Staphylococcus aureus (n=123, 17.6%), and Klebsiella pneumoniae (n=114, 16.3%). Enterobacteriaceae strains were resistant to almost all antibiotics tested, except amikacin and ertapenem, which had respective resistance rates of 2.8% and 8.4%. None of the P. aeruginosa strains were resistant to piperacillin-tazobactam. whereas 37.9% were resistant to imipenem. Among A. baumannii strains, 4.2% and 22.9% were respectively resistant to amikacin and imipenem, whereas 56.3% were resistant to levofloxacin. Almost all S. aureus strains (99.2%) were resistant to penicillin, whereas only 2.4% were resistant to rifampicin. Of the 698 bacteria isolated, the prevalence of multidrug-resistant bacteria (MDR) was 41.3% (n = 288), whereas the prevalence of ESBL-producing Enterobacteriaceae was 51.3% (201/392).

Conclusion: We reported various resistance profiles of bacterial species isolated from hospitalized patients at the CHU Sylvanus Olympio, Lomé, Togo. The study of bacterial ecology and resistance in every prefectural, regional, and university teaching hospital would be of great importance to reduce mortality associated with hospital-acquired infections throughout the Togolese territory.
Origin of Enantioselectivity in the Organocatalytic Reductive Amination of α‐Branched Aldehydes
Authors: Marcelli Tommaso , Hammar Peter , Himo Fahmi
Published: March 2009

magnified image

The reason for enantioselectivity in the reductive amination of α‐branched aldehydes was investigated. The relative energies of all the diastereomeric transition states for hydride transfer of a suitable computational model were calculated at the B3LYP/6‐311+G(2d,2p) level of theory. Our calculations successfully reproduce and rationalize the experimentally observed stereochemical outcome of the reaction.
Highly Efficient Cyanosilylation of Sterically Bulky Ketones Catalyzed by Tin Ion‐Exchanged Montmorillonite
Authors: Wang Jiacheng , Masui Yoichi , Watanabe Kenya , Onaka Makoto
Published: March 2009

magnified image

Tin ion‐exchanged montmorillonite (Sn‐Mont) was found to be a powerful catalyst for the cyanosilylation of aromatic and aliphatic ketones having a carbonyl group in sterically congested circumstances with cyanotrimethylsilane, giving the corresponding cyanohydrin trimethylsilyl ethers in excellent yields.
Direct Aerosol Synthesis of Large‐Pore Amorphous Mesostructured Aluminosilicates with Superior Acid‐Catalytic Properties
Authors: Pega Stéphanie , Boissière Cédric , Grosso David , Azaïs Thierry , Chaumonnot Alexandra , Sanchez Clément
Published: March 2009

Katalysatoren en masse: Eine direkte und umweltverträgliche Synthesestrategie für die Aerosol‐basierte Massenproduktion großporiger mesostrukturierter Alumosilicatpulver wurde entwickelt (siehe TEM‐Bild). Obgleich amorph, zeigen einige Pulver eine höhere Aktivität für die Isomerisierung von m‐Xylol sowie eine geringere Koksbildung als ein industrieller Y‐Zeolith‐Referenzkatalysator.

magnified image
Single‐Scan 2D Hadamard NMR Spectroscopy
Authors: Tal Assaf , Shapira Boaz , Frydman Lucio
Published: March 2009

Ein Scan und fertig: Durch Kombination von spektralen/räumlichen 2D‐Radiofrequenzmanipulationen (siehe Schema, links) mit Hadamard‐Wichtungsprinzipien wurden 2D‐NMR‐Spektren in einem einzigen Scan erhalten (rechts). Dieser Ansatz liefert Homo‐ oder Heterokernkorrelationen mit höherer Empfindlichkeit als die üblichen Methoden der schnellen 2D‐NMR‐Spektroskopie.

magnified image
Conformationally Homogeneous Heterocyclic Pseudotetrapeptides as Three‐Dimensional Scaffolds for Rational Drug Design: Receptor‐Selective Somatostatin Analogues
Authors: Beierle John M. , Horne W. Seth , van Maarseveen Jan H. , Waser Beatrice , Reubi Jean Claude , Ghadiri M. Reza
Published: March 2009

A would‐be amide: A 1,4‐disubstituted 1,2,3‐triazole was used as a surrogate for a trans amide bond to create a library of 16 diastereomeric pseudotetrapeptides as β‐turn mimetics. High‐resolution structural analysis indicated that these scaffolds adopt distinct, rigid, conformationally homogeneous β‐turn‐like structures (see example), some of which bind somatostatin receptor subtypes selectively, and some of which show broad‐spectrum activity.

magnified image
The development of decision‐making capacities in children and adolescents: Psychological and neurological perspectives and their implications for juvenile defendants
Authors: Kambam Praveen , Thompson Christopher
Published: March 2009

The development of decision‐making capacities in children and adolescents has been a topic of interest for hundreds, if not thousands, of years. Questions regarding the development of decision‐making capacities (and moral reasoning) of youth frequently arise in juvenile justice settings, other forensic settings, and sometimes in treatment settings. This article attempts to review the latest and most relevant research on the development of decision‐making capacities likely to be relevant in children and adolescents who are defendants. We distinguish cognition versus judgment in decision‐making and briefly review adolescent decision‐making in laboratory and real world conditions. We review a theoretical framework of two different systems, a cognitive‐control system and socio‐emotional system, and potentially correlated neurobiological and psychological findings. Implications for selected aspects of the juvenile adjudicative process are discussed. Copyright © 2009 John Wiley & Sons, Ltd.
Identification of a Pentaketide Stilbene Produced by a Type III Polyketide Synthase from Pinus sylvestris and Characterisation of Free Coenzyme A Intermediates
Authors: Li Tsung‐Lin , Spiteller Dieter , Spencer Jonathan B.
Published: March 2009

By miscounting the number of malonyl‐CoA condensations, the stilbene synthase (STS) from Pinus sylvestris forms the previously unknown pentaketide, 2‐malonylresveratrol, in addition to the expected tetraketide resveratrol (see scheme). This is the first time that such tetra‐ and pentaketide‐CoA derivatives have been observed; this suggests that these products might be free intermediates in the biosynthesis of stilbenes.

magnified image

The stilbene synthase (STS) from Scots pine (Pinus sylvestris), which is a type III polyketide synthase, produces the well known tetraketide resveratrol from coumaroyl‐CoA and three molecules of malonyl‐CoA. The same stilbene synthase, however, also generates the previously unknown pentaketide 2‐malonylresveratrol from coumaroyl‐CoA and four molecules of malonyl‐CoA; this indicates that the enzyme does not precisely control the number of condensations leading to diverse products. Tetraketide‐ and pentaketide‐CoA intermediates of the STS were identified by LC‐MS/MS; this suggests that CoA‐bound polyketide intermediates are involved in the product formation of type III polyketide synthases.
Optimal Design of Experiments for Parameter Identification of Ceramic Porous Membranes
Authors: Zhang F. , Mangold M. , Kienle A.
Published: March 2009

Six different experimental schemes for mass transfer through porous membranes are compared for the efficiency with respect to parameter identification, namely dynamic single‐gas permeation, dynamic multi‐gas permeation, steady‐state single‐gas permeation, steady‐state multi‐gas permeation, transient diffusion, and isobaric diffusion experiments. The comparison is made under optimal experimental conditions, which are obtained from optimal experimental design (OED) based on the Fisher information matrix. The covariance matrix of the parameters for each experimental scheme is estimated by the Cramér‐Rao lower bound. To solve the optimization problems, a hybrid optimizer which combines a genetic algorithm and a gradient‐based algorithm is used.
Hydrogen‐Atom Transfer in Reactions of Organic Radicals with [CoII(por)]. (por=Porphyrinato) and in Subsequent Addition of [Co(H)(por)] to Olefins
Authors: de Bruin Bas , Dzik Wojciech I. , Li Shan , Wayland Bradford B.
Published: March 2009

Do the hydrogen shuffle! DFT calculations and experiments reveal low‐barrier multistep pathways for hydrogen‐atom transfer from organic radicals to [CoII(por)]. to form [Co(H)(por)], and for the radical pathway leading to net olefin insertion into the CoH bond of [Co(H)(por)] (see scheme). The results suggest that hydrogen‐atom‐transfer pathways could be important in numerous addition reactions of MH complexes with unsaturated substrates.

magnified image

The mechanisms for hydrogen‐atom transfer from the cyanoisopropyl radical .C(CH3)2CN to [CoII(por)]. (yielding [CoIII(H)(por)] and CH2C(CH3)(CN); por=porphyrinato) and the insertion of vinyl acetate (CH2CHOAc) into the CoH bond of [Co(H)(por)] (giving [CoIII{CH(OAc)CH3}(por)]) were investigated by DFT calculations. The results are compared with experimental data. These reactions are relevant to catalytic chain transfer (CCT) in radical polymerization of olefins mediated by [CoII(por)]., the formation and homolysis of organo‐cobalt complexes that mediate living radical polymerization of vinyl acetate, and cobalt‐mediated hydrogenation of olefins. Hydrogen transfer from .C(CH3)2CN to [CoII(por)]. proceeds via a single transition state that has structural features resembling the products [Co(H)(por)] and CH2C(CH3)CN. The separated radicals approach to form a close‐contact radical pair and then pass through the transition state for hydrogen‐atom transfer to form [CoIII(H)(por)] and CH2C(CH3)CN. This process provides a very low overall barrier for the hydrogen‐atom transfer reaction (ΔG≠= +3.8 kcal mol−1). The reverse reaction corresponding to the addition of [Co(H)(por)] to CH2C(CH3)CN has a low barrier (ΔG≠=+8.9 kcal mol−1) as well. Insertion of vinyl acetate into the CoH bond of [CoIII(H)(por)] also proceeds over a low barrier (ΔG≠= +11.4 kcal mol−1) hydrogen‐transfer step from [CoIII(H)(por)] to a carbon atom of the alkene to produce a close‐contact radical pair. Dissociation of the radical pair, reorientation, and radical–radical coupling to form an organo‐cobalt complex are the culminating steps in the net insertion of an olefin into the CoH bond. The computed energies obtained for the hydrogen‐atom transfer reactions from .C(CH3)2CN to [CoII(por)]. and from [Co(H)(por)] to olefins, as well as the organo‐cobalt bond homolysis energies correspond well with the experimental observations. The mechanism of alkene insertion into the CoH bond of [CoIII(H)(por)] is of general interest, because the species does not contain any cis‐vacant sites to the hydride and the usual migratory insertion pathway is not available. The low barrier predicted here for the multistep insertion process suggests that (depending on the bond strengths) even for systems that do have a cis‐vacant site, the radical‐type insertion might compete with classical migratory insertion.
Structure–Activity Relationships of SSAO/VAP‐1 Arylalkylamine‐Based Substrates
Authors: Yraola Francesc , Zorzano Antonio , Albericio Fernando , Royo Miriam
Published: March 2009

SSAO/VAP‐1 substratesmay be valuable for the treatment or prevention of diabetes mellitus, as they show insulin‐mimetic properties. This review highlights the importance of studying the relevant steric and electronic features in the development of new ligands with better SSAO/VAP‐1 recognition, enhanced selectivity over other amine oxidases, and improved metabolic behavior.

magnified image

Semicarbazide‐sensitive amine oxidase/vascular adhesion protein‐1 (SSAO/VAP‐1) substrates show insulin‐mimetic effects and are therefore potentially valuable molecules for the treatment of diabetes mellitus. Herein we review several structural and electronic aspects of SSAO arylalkylamine‐based substrates. Two main modifications directly affect amine oxidase (AO) activity: 1) variation in ring substitution modulates the biological activity of the arylalkylamine ligand by converting a substrate into a substrate‐like inhibitor, and 2) variation in the number of methylene units between the aromatic ring and the ammonium groups of the arylalkylamine substrates dramatically alters the oxidation rate between species. Furthermore, we review relevant information about mammalian SSAO/VAP‐1 substrate selectivity and specificity over monoamine oxidases (MAOs).
Synthesis and Pharmacological Activity of a Potent Inhibitor of the Biosynthesis of the Endocannabinoid 2‐Arachidonoylglycerol
Authors: Bisogno Tiziana , Burston James J. , Rai Ravi , Allarà Marco , Saha Bijali , Mahadevan Anu , Razdan Raj K. , Wiley Jenny L. , Di Marzo Vincenzo
Published: March 2009

Biosynthesis Inhibition: O‐5596, a new inhibitor of the biosynthesis of the endocannabinoid, 2‐arachidonoylglycerol, was synthesized and found to be potent (IC50=100 nM) and selective versus other proteins and enzymes of the endocannabinoid system in vitro and active in vivo at reducing food intake in mice.

magnified image
Electron Transfer from Photoexcited TiO2 to Chelating Alizarin Molecules: Reversible Photochromic Effect in Alizarin@TiO2 under UV Irradiation
Authors: Di Iorio Yesica , Brusa Marta A. , Feldhoff A. , Grela María A.
Published: March 2009

Reduction of alizarin molecules coupled to TiO2 nanoparticles occurs on UV irradiation in the presence of a sacrificial electron donor. Reduction is mediated by conduction‐band electrons and yields a 1,2,9,10‐tetrahydroxyanthracene species which remains coupled to the TiO2 nanoparticles (see figure). The process can be reversed by addition of an acceptor (i.e. oxygen).

magnified image

Reduction of alizarin molecules coupled to TiO2 nanoparticles (A@TiO2) occurs on UV irradiation in the presence of a sacrificial electron donor. Evidence is presented that reduction is mediated by conduction‐band electrons and yields a 1,2,9,10‐tetrahydroxyanthracene species which remains coupled to the TiO2 nanoparticles. The spectrum of the reduced complex displays two overlapping broad bands centred at 480 and 650 nm which can harvest visible photons besides 900 nm, in agreement with theoretical predictions by TDDFT. The potential relevance of the dual‐redox behaviour of strongly TiO2 coupled anthraquinone dyes in the field of photocatalysis and in connection with their utilization in the development of dye‐sensitized TiO2 solar cells is briefly discussed.
Synthesis and Structural Features of Rhodium Complexes of Expanded Ring N‐Heterocyclic Carbenes
Authors: Iglesias Manuel , Beetstra Dirk J. , Kariuki Benson , Cavell Kingsley J. , Dervisi Athanasia , Fallis Ian A.
Published: March 2009

The rhodium complexes [Rh(NHC)(COD)Cl] and cis‐[Rh(NHC)(CO)2Cl] of seven‐membered N‐heterocyclic carbenes (NHC) bearing aromatic N‐substituents (mesityl, xylyl and o‐tolyl) were synthesised, and a comparison of their steric and electronic properties with those of the analogous five‐ and six‐membered NHC complexes was made on the basis of infrared and solid‐state data. The X‐ray structures for the complexes Rh(6‐Mes)(COD)Cl, Rh(7‐Mes)(COD)Cl and Rh(7‐oTol)(COD)Cl were determined.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Distance phenomena in high‐dimensional chemical descriptor spaces: Consequences for similarity‐based approaches
Authors: Rupp Matthias , Schneider Petra , Schneider Gisbert
Published: March 2009

Measuring the (dis)similarity of molecules is important for many cheminformatics applications like compound ranking, clustering, and property prediction. In this work, we focus on real‐valued vector representations of molecules (as opposed to the binary spaces of fingerprints). We demonstrate the influence which the choice of (dis)similarity measure can have on results, and provide recommendations for such choices. We review the mathematical concepts used to measure (dis)similarity in vector spaces, namely norms, metrics, inner products, and, similarity coefficients, as well as the relationships between them, employing (dis)similarity measures commonly used in cheminformatics as examples. We present several phenomena (empty space phenomenon, sphere volume related phenomena, distance concentration) in high‐dimensional descriptor spaces which are not encountered in two and three dimensions. These phenomena are theoretically characterized and illustrated on both artificial and real (bioactivity) data. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2009
Separation of catechins and methylxanthines in tea samples by capillary electrochromatography
Authors: Dilek Uysal Ulku , Aturki Zeineb , Raggi Maria Augusta , Fanali Salvatore
Published: March 2009

In this paper, the simultaneous separation of several polyphenols such as (+)‐catechin, (–)‐epicatechin, (–)‐epigallocatechin, theophylline, caffeine in green and black teas by capillary electrochromatography (CEC) was developed. Several experimental parameters such as stationary phase type, mobile phase composition, buffer and pH, inner diameter of the columns, sample injection, were evaluated to obtain the complete separation of the analysed compounds. Baseline resolution of the studied polyphenols was achieved within 30 min by using a capillary column (id 100 μm) packed with bidentate C18 particles for 24.5 cm and a mobile phase composed of 5 mM ammonium acetate buffer pH 4 with H2O/ACN (80:20, v/v). The applied voltage and the temperature were set at 30 kV and 20°C. Precision, detection and quantification limits, linearity, and accuracy were investigated. A good linearity (R2 > 0.9992) was achieved over a concentration working range of 2–100 μg/mL for all the analytes. LOD and LOQ were 1 and 2 μg/mL, respectively, for all studied compounds. The CEC method was applied to the analysis of those polyphenols in green and black tea samples after an extraction procedure. Good recovery data from accuracy studies ranged between 90% and 112% for all analytes.
The digraphs and inclusion intervals of matrix singular values
Authors: Tian Gui‐Xian , Huang Ting‐Zhu , Cui Shu‐Yu
Published: March 2009

The paper investigates the inclusion intervals of matrix singular values. By employing the digraph of a matrix, some new inclusion intervals of matrix singular values are presented. These intervals are based mainly on the use of positive scale vectors and their intersections. Theoretic analysis and numerical examples show that these results improve and generalize some known results of Li et al. (Numer. Linear Algebra Appl. 2007; 14(2):115–128) and Kolotilina (J. Math. Sci. 2006; 137(3):4794–4800). Copyright © 2009 John Wiley & Sons, Ltd.
Backward perturbation analysis for scaled total least‐squares problems
Authors: Chang X.‐W. , Titley‐Peloquin D.
Published: March 2009

The scaled total least‐squares (STLS) method unifies the ordinary least‐squares (OLS), the total least‐squares (TLS), and the data least‐squares (DLS) methods. In this paper we perform a backward perturbation analysis of the STLS problem. This also unifies the backward perturbation analyses of the OLS, TLS and DLS problems. We derive an expression for an extended minimal backward error of the STLS problem. This is an asymptotically tight lower bound on the true minimal backward error. If the given approximate solution is close enough to the true STLS solution (as is the goal in practice), then the extended minimal backward error is in fact the minimal backward error. Since the extended minimal backward error is expensive to compute directly, we present a lower bound on it as well as an asymptotic estimate for it, both of which can be computed or estimated more efficiently. Our numerical examples suggest that the lower bound gives good order of magnitude approximations, while the asymptotic estimate is an excellent estimate. We show how to use our results to easily obtain the corresponding results for the OLS and DLS problems in the literature. Copyright © 2009 John Wiley & Sons, Ltd.
An asymptotic approach to analysis of 3D beam stress‐strain elastic states
Authors: Saurin Vasily , Kostin Georgy
Published: March 2009

A regular asymptotic approach to analysis of 3D beam stress–strain states is proposed based on the linear theory of elasticity and the method of integrodifferential relations. Using the integral formulation of Hooke's law and polynomial expansions of unknown stress and displacement functions with respect to transversal Cartesian coordinates the initial system of partial differential equations is reduced to a countable system of ordinary differential equations with constant coefficients. For rectilinear beams with rectangular cross–sections the consistent boundary value problems describing independently the compression and stretch, bends, and torsion states are derived. To find equilibrium stress and admissible displacement fields satisfying boundary conditions an effective numerical algorithm is worked out. Integral and local criteria for explicit bilateral estimates of resulted solution quality are proposed. The numerical results are presented and discussed. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Founder Fukutin mutation causes Walker–Warburg syndrome in four Ashkenazi Jewish families
Authors: Chung Wendy , Winder Thomas L. , LeDuc Charles A. , Simpson Lynn L. , Millar William S. , Dungan Jeffrey , Ginsberg Norman , Plaga Stacey , Moore Steven A. , Chung Wendy K.
Published: March 2009

Objective

Walker‐Warburg syndrome (WWS) is a genetically heterogeneous congenital muscular dystrophy caused by abnormal glycosylation of α‐dystroglycan (α‐DG) that is associated with brain malformations and eye anomalies. The Fukutin (FKTN) gene, which causes autosomal recessively inherited WWS is most often associated with Fukuyama congenital muscular dystrophy in Japan. We describe the clinical features of four nonconsanguinous Ashkenazi Jewish families with WWS and identify the underlying genetic basis for WWS.

Method

We screened for mutations in POMGnT1, POMT1, POMT2, and FKTN, genes causing WWS, by dideoxy sequence analysis.

Results

We identified an identical homozygous c.1167insA mutation in the FKTN gene on a common haplotype in all four families and identified 2/299 (0.7%) carriers for the c.1167insA mutation among normal American Ashkenazi Jewish adults.

Conclusion

These data suggest that the c.1167insA FKTN mutation described by us is a founder mutation that can be used to target diagnostic testing and carrier screening in the Ashkenazi Jewish population. Copyright © 2009 John Wiley & Sons, Ltd.
Natural metabolites for parasitic weed management
Authors: Vurro Maurizio , Boari Angela , Evidente Antonio , Andolfi Anna , Zermane Nadjia
Published: March 2009

Compounds of natural origin, such as phytotoxins produced by fungi or natural amino acids, could be used in parasitic weed management strategies by interfering with the early growth stages of the parasites. These metabolites could inhibit seed germination or germ tube elongation, so preventing attachment to the host plant, or, conversely, stimulate seed germination in the absence of the host, contributing to a reduction in the parasite seed bank. Some of the fungal metabolites assayed were very active even at very low concentrations, such as some macrocyclic trichothecenes, which at 0.1 µM strongly suppressed the germination of Orobanche ramosa L. seeds. Interesting results were also obtained with some novel toxins, such as phyllostictine A, highly active in reducing germ tube elongation and seed germination both of O. ramosa and of Cuscuta campestris Yuncker. Among the amino acids tested, methionine and arginine were particularly interesting, as they were able to suppress seed germination at concentrations lower than 1 mM. Some of the fungal metabolites tested were also able to stimulate the germination of O. ramosa seeds. The major findings in this research field are described and discussed. Copyright © 2009 Society of Chemical Industry
Four‐wave mixing from individual excitons: Intensity dependence and imaging
Authors: Kasprzak Jacek , Langbein Wolfgang
Published: March 2009

We use heterodyne spectral interferometry (HSI) to investigate the transient four‐wave mixing field (FWM) from an individual localized excitonic transition. FWM intensity and spectrum as well as the spatial resolution in FWM hyperspectral imaging are measured as function of excitation intensity. A third‐order non‐linear response of the FWM followed by saturation and the onset of a Rabi‐flop are observed with increasing intensity. The intensity dependence of the spectral response depends on the excitation pulse duration. For short pulses (∼0.2 ps), having a broad spectrum, a weak broadening of the emission line, similar to excitation induced dephasing (EID), is found. For long pulses (∼0.5 ps) instead, no signatures of EID are found, but individual multi‐excitonic transitions are observed. When using the FWM intensity as image contrast by spatially scanning a region of the sample surface, a spatial resolution beyond the diffraction limit is measured in the third‐order regime, while for higher intensities the FWM saturation deteriorates the spatial resolution. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Brief report: Citizenship concepts among adolescents. Evidence from a survey among Belgian 16‐year olds
Authors: Dejaeghere Yves , Hooghe Marc
Published: March 2009

In this research note we investigate the occurrence of citizenship concepts among adolescents in Belgium. The analysis is based on the Belgian Youth Survey (2006), which is a representative survey among 6330 16‐year olds in the country. Citizenship concepts were shown to be multi‐dimensional, with distinct factors for conventional or electoral participation and civic engagement. A third, weaker factor could be distinguished covering obedience to the law. This structure is largely in line with earlier comparative analysis. An exploratory analysis suggests that these factors have different outcomes on actual or intended political participation behavior of adolescents. We discuss the relevance of these findings with regard to the current debates on civic education and civic engagement among younger age cohorts.
Gamma irradiation alters the phenotype and function of CD4+CD25+ regulatory T cells
Authors: Cao Mengde , Cabrera Roniel , Xu Yiling , Liu Chen , Nelson David
Published: March 2009

To examine the effects of gamma irradiation on Tregs, changes in phenotype and suppression function in Tregs treated with or without gamma ray were analyzed. Purified CD4+CD25+ regulatory T cells were irradiated at different dosages with a 137Cs source gamma ray at 4.8 Gy/min. After culture, the phenotype and function changes were determined by flow cytometry and [3H]‐thymidine incorporation, respectively. A dose‐dependent reduction of Tregs proliferation in response to gamma irradiation was noted, which paralleled the apoptosis induction of Tregs. Gamma irradiation downregulated the Tregs expression of CD45RO, CD62L, FOXP3, membrane TGF‐β, but upregulated Bax and GITR. High dose gamma irradiation (30 Gy) significantly abolished the suppression of Tregs on CD4+CD25− T cells proliferation. Thus Tregs not only influences the phenotype but also alters their suppressive capacities. Our findings suggest that radiotherapy may be an important strategy to alter the immunologic balance of Tregs and effector cells in cancer therapy.
Civil society and the reconstitution of democracy in Europe: Introducing a new research field
Authors: Liebert Ulrike , Trenz Hans-Jörg
Published: March 2009

The article maps new developments in the interdisciplinary research field of European civil society. From the angle of the reconstitution of democracy in the EU, it reviews recent contributions from political science, sociology and law. All share the concern with the pervading empowerment of the institutions of European multi-level governance. But each approaches the question of the democratizing and legitimizing potential of civil society beyond the state from a different vantage point, indicating competing conceptions of European civil society that draw on deliberative, participatory or representative democratic norms. It is argued that the EU-constitutional experience has sharpened the ambivalence between top down activating or “partnership” approaches vs. bottom up mobilizing or “social constituency” approaches to the construction of European civil society. These new tensions in the concept of a European civil society are currently manifested in the upholding of its civic-cosmopolitan promises and a more nuanced view of its contentious role against uncivil practices.