Probabilistic Guarded P Systems, A New Formal Modelling Framework

Multienvironment P systems constitute a general, formal framework for modelling the dynamics of population biology, which consists of two main approaches: stochastic and probabilistic. The framework has been successfully used to model biologic systems at both micro (e.g. bacteria colony) and macro (e.g. real ecosystems) levels, respectively. In this paper, we extend the general framework in order to include a new case study related to P. Oleracea species. The extension is made by a new variant within the probabilistic approach, called Probabilistic Guarded P systems (in short, PGP systems). We provide a formal definition, a simulation algorithm to capture the dynamics, and a survey of the associated software.Ministerio de Economía y Competitividad TIN2012- 37434Junta de Andalucía P08-TIC-0420

A Simulation Workflow for Membrane Computing: From MeCoSim to PMCGPU Through P-Lingua

P system simulators are of high importance in Membrane Computing, since they provide tools to assist on model validation and verification. Keeping a balance between generality and flexibility, on the one side, and efficiency, on the other hand, is always challenging, but it is worth the effort. Besides, in order to prove the feasibility of P system models as practical tools for solving problems and aid in decision making, it is essential to provide functional mechanisms to have all the elements required at disposal of the potential users smoothly integrated in a robust workflow. The aim of this paper is to describe the main components and connections within the approach followed in this pipeline.Ministerio de Industria, Economía y Competitividad TIN2017-89842-

Impact of Region-of-Interest Delineation Methods, Reconstruction Algorithms, and Intra- and Inter-Operator Variability on Internal Dosimetry Estimates Using PET

Purpose: Human dosimetry studies play a central role in radioligand development for positron emission tomography (PET). Drawing regions of interest (ROIs) on the PET images is used to measure the dose in each organ. In the study aspects related to ROI delineation methods were evaluated for two radioligands of different biodistribution (intestinal vs urinary). Procedures: PET images were simulated from a human voxel-based phantom. Several ROI delineation methods were tested: antero-posterior projections (AP), 3D sub-samples of the organs (S), and a 3D volume covering the whole-organ (W). Inter- and intra-operator variability ROI drawing was evaluated by using human data. Results: The effective dose estimates using S and W methods were comparable to the true values. AP methods overestimated (49 %) the dose for the radioligand with intestinal biodistribution. Moreover, the AP method showed the highest inter-operator variability: 11 ± 1 %. Conclusions: The sub-sampled organ method showed the best balance between quantitative accuracy and inter- and intra-operator variability

Characterization Studies of Thermoplastic Starch Enhanced With [Emim][OAc

This study investigates the effect of using ionic liquid 1-ethyl-3-methylimidazolium acetate [Emim][OAc] as plasticizer for the improvement of thermoplastic starch (TPS) material. The physical and chemical properties of the TPS were studied and investigated in this project. The results of morphology analysis with scanning electron microscope (SEM), crystallography analysis by x-ray diffraction (XRD) and thermal degradation by thermogravimetric analysis (TGA) show that 70% of total plasticizer content mixed well during thermo plasticization process. [Emim][OAc] caused starch granule to disrupt as shown by SEM due to its ability to access the passages within the starch structure. By XRD analysis, it was shown that plasticized starch at 70% total plasticizer content and 1:4 [Emim][OAc]/water ratio, made disruption to the A-type crystalline structure, generated -type crystalline structure and thus increased the mobility of the amorphous starch. The presence of [Emim][OAc] promote the thermal degradation of starch molecules as described by TGA as it slows the thermal decomposition rate of the starch. Therefore, plasticizer content and [Emim][OAc]/water ratio were parameters that also influencing the properties of starch-based polymer. The use of ionic liquid as an enhancement for starch as fertilizer coating material fertilizer is anticipated to reduce volatilization of ammonia into environment and increase its utilization by crops

Neutral and cationic di(tert-butyl) cyclopentadienyl titanium, zirconium and hafnium complexes. Dynamic NMR study of the ligand-free cations [M(1,3-tBu2-η5-C5H3)(η5-f5H5)(CH3)]+(M=Zr, Hf)

Group 4 metal complexes containing the di(tert-butyl)cyclopentadienyl ligand (l,3-tBu2-r/5-CsH3) have been synthesized. The\ud reaction of a mixture of 1,3- and 1,4-di(tert-butyl)cyclopentadiene isomers with KH in THF at -78°C gives the salt K+[(1,3 -\ud tBu2CsH3)]-(THF)I_3 2 as a white solid. Treatment of 2 with chlorotrimethylsilane in a 1:1 molar ratio gives the air-stable\ud trimethylsilylcyclopentadienyl derivative Si(1,3-tBu2C5H3XCH3)3 3. The silyl derivative 3 is an excellent precursor for monocyclopentadienyl\ud trichlorotitanium and zirconium compounds M(1,3 -t Bu 2-r/5-C 5 H 3)C13 [M = Ti (4), Zr (5)]. Addition of a stoichiometric amount\ud of water in the presence of NEt 3 to a toluene solution of 4 affords the oxo trimer compound [Ti(1,3-tBu2-~75 - CsH3)CI( p,-O)] 3 6. The\ud reaction of 4 with 2 equiv, of LiMe affords the chloro dimethyl derivative Ti(1,3-tBu2-'r/5-CsH3)CI(CH3)2 7. The mixed dicyclopentadienyl\ud compounds M(1,3-tBu2-r/5-CsH3XCsHs)CI2 [M = Ti (8); Zr (9)] were prepared by reaction of complexes 4 and 5 respectively with\ud TI(CsHs). Treatment of complexes (8) and (9) with the appropriate alkylating reagent and molar ratio, in hexane at -78 °C, gives the\ud chloro alkyl derivatives M(1,3-tBu2-@-C5H3XCsHs)CIR [M = Ti, R = Me (10); M = Zr, R = Me (11), Bz (12)] or the dialkyl\ud complexes M(1,3-tBu2-@-CsH3)(CsHs)Rz [M = Ti, R = Me (13); M = Zr, R = Me (14), Bz (15), Nf (16)]. When 8 reacts with 2 equiv.\ud of MgBz2(THF) 2 or LiCH2CMe2Ph the metallacyclic complexes Ti(1-tBu-3-CMe2CH~-r/5-C~Ha)(CsHs)R [R = Bz (17); Nf (18)] were\ud isolated as red oils at room temperature, with the elimination of toluene or ten-butyl benzene respectively. The previously reported\ud cationic mono 1,3-di(tert-butyl)cyclopentadienyl dibenzyl zirconium species [Zr(1,3 -t Bu 2-'05-C 5 H 3 XCH 2 Ph) 2 ] + (19) can be stabilized\ud by reaction with tBuNC or PMe 3, in CD2C12 at -78°C, and the formation of the new cationic species [Zr(1,3-tBu2-r/5-\ud CsHa)(L)(CH2Ph)2] + [L=tBuNC (20); PMe 3 (21)] was identified by NMR spectroscopy. The reaction of B(CrFs) 3 with the\ud monocyclopentadienyl trimethyl derivatives M(1,3-tBu2-r/5-CsH3XCH3)3 [M = Ti (22), Zr (23)], in the presence of PMe 3, gives the\ud cationic species [M(I,3-tBu2-@-C~H3)(PMe3)2(CH3)2] + [M = Ti (24); Zr (25)], obtained as orange-yellow solids, stable at room\ud temperature. The reaction of B(C6Fs) 3 with the metallocene dimethyl derivatives M(1,3-tBu2-r/5-CsHa)(@-CsHs)(CH3)z [M = Zr (14);\ud Hf (26)], in a 1:1 molar ratio and in hydrocarbon solvents gives the cationic derivatives [M(1,3-tBu2-@-CsH3)(@ -\ud CsHsXCH3)]+[(CH3)B(CrFs)3] - [M = Zr (27); Hf (28)] as yellow oils which can be stored for weeks under an inert atmosphere. When\ud the same reactions of (14) and (26) with B(C6Fs) 3 are carried out in a 2:1 molar ratio at room temperature, the complexes\ud {[M(1,3-tBu2-@-CsH3X@-CsH5)Me]2(/.L-Me)}[MeB(C6Fs)3] [M =Zr (29), Hf (30)] can be obtained as a mixture of syn- and\ud anti-isomers as shown by NMR spectroscopic observations. The formation of (29) and (30) implies the stabilization of the 14-electron\ud cationic intermediate by interaction with one methyl group of the neutral complexes (14) and (26). Complexes (27) and (28) undergo\ud heterolytic dissociation of the Metal-MeB(C6Fs) 3 bonds, leading to the formation of the free [M(I,3-tBu2-r/5-CsH3)(r/5-CsHs)(CH3)] +\ud 14-electron species, verified by 1H DNMR spectroscopy. When compound (27) was heated at 50°C the metallacyclic cation\ud [Zr(1-tBu-3-CMezCH2-@-C5H3)(@-CsHs)] + (31) was formed. The alkyl derivatives synthesized and reported herein, activated with MAO, B(C6Fs) 3 or [Ph3C][B(C6Fs)4], polymerize ethylene with very low activity. The molecular structure of [Ti(1,3-tBu2-r/5-\ud C5H3)C1(/x-O)] 3 6 has been determined by X-ray diffraction methods.Financial support for this research by DGICYT (Project PB92-0178C) is gratefully acknowledged. J.I.A.\ud acknowledges Repsol Petróleo S.A. for a fellowship. A.M. is grateful to Consejeria Educaci6n (CAM) for a fellowship

Haptoglobin genotype and risk of diabetic nephropathy in patients with type 1 diabetes mellitus: a study on a Spanish population

[en] BACKGROUND: Few reports have studied the possible association between the haptoglobin (Hp) genotype and the risk of diabetic nephropathy (DN) in type 1 diabetes (T1D), with conflicting results to date. AIMS: To study whether the 2-2 Hp genotype is associated with an increased risk of overt DN in a Spanish population with T1D. METHODS: We performed a case-control study in a Spanish population. CASES: T1D patients with end-stage renal disease (stage 5 of NKF-KDOQI), awaiting reno-pancreatic transplantation or having already been transplanted (reno-pancreatic or renal alone). CONTROLS: T1D patients, matched for sex and time of diabetes evolution, with preserved renal function and normal urinary albumin excretion. Hp genotyping was done using polymerase chain reaction and electrophoresis. RESULTS: We included 57 cases and 57 controls in the study. There were no statistically significant differences in gender (70% vs. 61% males, p=1.0) or the duration of diabetes (23.0 ± 6.7 vs. 20.8 ± 9.3 years; p=0.1), although the age of onset of diabetes was lower in the cases (14.1 ± 6.8 vs. 17.7 ± 10.1 years, p=0.03). The frequency of genotypes 1-1, 1-2 and 2-2 was 19.3%, 42.1% and 38.6% in cases and 17.5%, 49.1% and 33.4% in controls, respectively, with no statistically significant differences between groups (p=0.8). Conditional logistic regression analysis showed no significant association between genotype 2-2 of Hp and the development of DN (OR 1.14, CI 0.52-2.52). CONCLUSIONS: In our sample of a Spanish population with T1D, no association was found between the Hp genotype and risk of overt DN. [spa] Antecedentes: Pocos trabajos han estudiado la asociación entre el genotipo de la haptoglobina (Hp) y el riesgo de nefropatía diabética (ND) en pacientes con diabetes tipo 1 (DM1), con resultados contradictorios hasta ahora. Objetivos: Estudiar si el genotipo 2-2 de Hp se asocia a un incremento del riesgo de ND en población española con DM1. Métodos: Se diseñó un estudio de casos y controles. CASOS: pacientes con DM1 y enfermedad renal crónica estadio 5 de la NKF-KDOQI, en espera de trasplante reno-pancreático o que han sido trasplantados (reno-pancreático o renal aislado). CONTROLES: pacientes con DM1, apareados por sexo y tiempo de evolución de la diabetes, con función renal y excreción urinaria de albúmina normales. El genotipo de Hp se realizó mediante reacción en cadena de la polimerasa y electroforesis. Resultados: Incluimos 57 casos y 57 controles, sin diferencias estadísticamente significativas en el sexo (70 % frente a 61 % varones, p = 1,0) o duración de la diabetes (23,0 ± 6,7 frente a 20,8 ± 9,3 años; p = 0,1), aunque la edad de inicio de la diabetes fue menor en los casos (14,1 ± 6,8 frente a 17,7 ± 10,1 años, p = 0,03). La frecuencia de genotipos 1-1, 1-2 y 2-2 fue de 19,3 %, 42,1 % y 38,6 % en los casos y de 17,5 %, 49,1 % y 33,4 % en los controles, respectivamente, sin diferencias significativas (p = 0,8). El análisis de regresión logística condicional no mostró asociación entre el genotipo 2-2 de Hp y el desarrollo de ND (OR 1,14, IC 0,52-2,52). Conclusiones: En nuestra muestra de población española con DM1, no se ha hallado asociación entre el genotipo de Hp y el riesgo de ND

The impact of physical, psychological, and sexual intimate partner violence on women's mental health: depressive symptoms, posttraumatic stress disorder, state anxiety, and suicide

Objective: This study aimed to determine the impact of lifetime physical, psychological, and sexual intimate male partner violence (IPV) on the mental health of women, after controlling for the contribution of lifetime victimization. The comorbidity of depressive symptoms and posttraumatic stress disorder (PTSD) and their relation to state anxiety and suicide were also assessed. Methods: Physically/psychologically (n 75) and psychologically abused women (n 55) were compared with nonabused control women (n 52). Information about sociodemographic characteristics, lifetime victimization, and mental health status (depressive and state anxiety symptoms, PTSD, and suicide) was obtained through face-to-face structured interviews. Results: Women exposed to physical/psychological and psychological IPV had a higher incidence and severity of depressive and anxiety symptoms, PTSD, and thoughts of suicide than control women, with no differences between the two abused groups. The concomitance of sexual violence was associated with a higher severity of depressive symptoms in both abused groups and a higher incidence of suicide attempts in the physically/psychologically abused group. The incidence of PTSD alone was very rare, and depressive symptoms were either alone or comorbid with PTSD. The severity of state anxiety was higher in abused women with depressive symptoms or comorbidity, as was the incidence of suicidal thoughts in the physically/psychologically abused group. Lifetime victimization was not a predictor of the deterioration of mental health in this study. Conclusions: These findings indicate that psychological IPV is as detrimental as physical IPV, with the exception of effects on suicidality, which emphasizes that psychological IPV should be considered a major type of violence by all professionals involved.Este es un artículo ampliamente citado internacionalmente respeto a violencia de pareja y consecuencias en la salud de las mujeres

MycoBank gearing up for new horizons.

MycoBank, a registration system for fungi established in 2004 to capture all taxonomic novelties, acts as a coordination hub between repositories such as Index Fungorum and Fungal Names. Since January 2013, registration of fungal names is a mandatory requirement for valid publication under the International Code of Nomenclature for algae, fungi and plants (ICN). This review explains the database innovations that have been implemented over the past few years, and discusses new features such as advanced queries, registration of typification events (MBT numbers for lecto, epi- and neotypes), the multi-lingual database interface, the nomenclature discussion forum, annotation system, and web services with links to third parties. MycoBank has also introduced novel identification services, linking DNA sequence data to numerous related databases to enable intelligent search queries. Although MycoBank fills an important void for taxon registration, challenges for the future remain to improve links between taxonomic names and DNA data, and to also introduce a formal system for naming fungi known from DNA sequence data only. To further improve the quality of MycoBank data, remote access will now allow registered mycologists to act as MycoBank curators, using Citrix software

Synthesis and structure of complexes of acyl N-aminides with zinc(II) salts

The structures of complexes obtained by reacting acyl N-aminides and ZnCl2 were ascertained by X-ray analysis and were show to incorporate one Zn atom and two molecules of the N-aminide in a distorted tetrahedral geometry. Bis-aminides act as bidentate ligands forming ZnLCl2 complexes.The authors acknowledge the Comisió lnterdepartamental de Recerςa i lnnovació Tecnologica (CIRIT, project QFN94-4619) for financial support and the Ministerio de Educación y Ciencia for a studentship (MAH.

Review of multidrug-resistant and extensively drug-resistant TB: global perspectives with a focus on sub-Saharan Africa

Tuberculosis (TB) remains a global emergency and is responsible for 1.7 million deaths annually. Widespread global misuse of isoniazid and rifampicin over three decades has resulted in emergence of the ominous spread of multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) globally. These difficult to treat resistant forms of TB are increasingly seen in Asia, Eastern Europe, South America and sub-Saharan Africa, disrupting TB and HIV control programmes. We review the latest available global epidemiological and clinical evidence on drug-resistant TB in HIV-infected and uninfected populations, with focus on Africa where data are scanty because of poor diagnostic and reporting facilities. The difficult management and infection control problems posed by drug-resistant TB in HIV-infected patients are discussed. Given the increasing current global trends in MDR-TB, aggressive preventive and management strategies are urgently required to avoid disruption of global TB control efforts. The data suggest that existing interventions, public health systems and TB and HIV programmes must be strengthened significantly. Political and funder commitment is essential to curb the spread of drug-resistant TB