BN Nanotube Serving as a Gas Chemical Sensor for N₂O by Parallel Electric Field

Density functional theory calculations were performed to understand the electronic properties of C₂₄, B₁₂N₁₂, B₁₂P₁₂, and (6, 0) BNNT interacted with N₂O molecule in the presence and absence of an external electric field using the B3LYP method and 6-31G** basis set. The adsorption of N₂O from O-side on the surface of (6, 0) BNNT has high sensitivity in comparison with B₁₂N₁₂ nano-cage. The adsorption energy of N₂O (O-side) on the sidewalls of B₁₂N₁₂ and BNNT in the presence of an electric field are −21.01 and −15.48 kJ mol⁻¹, respectively. Our results suggest that in the presence of an electric field, the B₁₂N₁₂ nano-cage is the more energetically notable upon the N₂O adsorption than (6, 0) BNNT, C₂₄, and B₁₂P₁₂. Whereas, our results indicate that the electronic property of BNNT is more sensitive to N₂O molecule at the presence of an electric field than B₁₂N₁₂ nano-cage. It is anticipated that BNNT could be a favorable gas sensor for the detection of N₂O molecule. © 2016, Springer Science+Business Media New York

A DFT study of 5-fluorouracil adsorption on the pure and doped BN nanotubes

Abstract The electronic and adsorption properties of the pristine, Al-, Ga-, and Ge-doped BN nanotubes interacted with 5-fluorouracil molecule (5-FU) were theoretically investigated in the gas phase using the B3LYP density functional theory (DFT) calculations. It was found that the adsorption behavior of 5FU molecule on the pristine (8, 0) and (5, 5) BNNTs are electrostatic in nature. In contrast, the 5FU molecule (O-side) implies strong adsorption on the metal-doped BNNTs. Our results indicate that the Ga-doped presents high sensitivity and strong adsorption with the 5-FU molecule than the Al- and Ge-doped BNNTs. Therefore, it can be introduced as a carrier for drug delivery applications. © 2015 Elsevier Ltd

Comparison of growth indices, survival and total production of Fenneropenaeus merguiensis and Fenneropenaeus indicus in Hormozgan Province

The aim of the project was to assess production per hectare and other growth indices of Fenneropenaeus merguiensis and F. indicus in Zarabzy farm in earthen ponds of Tiab area, Hormozgan province. We used two treatments, one for each species three replications each. Post larvae of the species were stocked at density 20 ind/m2. Shrimp were fed by imported pellet on the basis of standard feeding table. In order to obtain the growth rate and calculate daily feeding status, the shrimp were biometrically assessed twice a month. We also measured physic-chemical factors of water including pH, temperature, dissolved oxygen and salinity twice a day. The recorded mean results of survival rate in treatment 1 and 2 were 10% and 64%, respectively. Final product and mean body weight in treatment 1 and 2 were 337.5 and 1526Kg/ha and 16.97 and 11.44g, respectively. The result of final product, survival rate and F.C.R. were above standards. The result of physico-chemical tests showed the parameters were higher than standard which had negative impact on production in both treatments. The results showed that propagation of F. merguiensis is feasible and it can be cultured provided that the suitable food is made available

Artificial reproduction of Siganus sutor using LHRHα2 and HCG in Hormozgan Province, south of Iran

Feasibility of reproduction of rabbitfish, Siganus sutor, using LHRHα2 and HCG hormones were carried out during the years 2003 and 2004. Thirteen fishes were injected in April and May 2004 with LHRHα2 and HCG hormones used for males and females respectively. Injection dosage was 200 mu g/kg of fish body weight amounting to 500 IU fish/day. Fish larvae were fed with rotifers which were themselves fed with cultured algae. Two injected female fish and four males responded to injection and spawned in April 2004. The total number of obtained eggs was 1,404,000. Fertilization and hatching rate were %100 and %98.5 respectively. Results revealed that reproduction of Siganus sutor is possible in Hormozgan Province, south Iran

Assessing the effects of urea and TMRL media on laboratory cultivation of Gracilaria corticata

The effects of urea and TMRL media have been surveyed on the laboratory cultivation of Gracilaria corticata during 41 days in spring 2002, using sea water as control. We used nine 25 liter aquariums each containing 100 grams of the red algae. During the experiments, pH, salinity and water temperature were measured daily, airing was conducted continually, and 80% of the water in each aquarium was changed every other day adding the required culture media after the change. Water pH ranged between 8.1±0.02 to 9.05±0.4, salinity was recorded between 37-41 ppm, and temperature range was 24.5±0.49 to 35.3±0.86 degrees centigrade. We measured daily growth rate, net production and final weight of the algae for urea and TMRL culture media which the TMRL culture media provided the highest growth rate and we spotted a change in colour of the algae treated with this medium ranging from dark brown to light brown and colourless phase

Estudio de la aromaticidad de los compuestos anticancerígenos heterocíclicos mediante el método computacional s-nics

En este estudio, hemos sugerido un enfoque teórico a través de la computación de los cambios químicos independientes del núcleo (S-NICS) en el punto de vista de los movimientos de las sondas en una esfera de espacios de desprotección y protección de anillos de anticancerígenos que contienen anillos heterocíclicos. Pocas investigaciones teóricas sobre un enfoque estadístico en el blindaje de RMN y los cambios químicos independientes del núcleo para el estudio de medicamentos contra el cáncer. El método S-NICS es un método preciso para estimar la cantidad de aromaticidad en los anillos sin benceno, como los anillos heterocíclicos, que es famoso por los compuestos químicos orgánicos como la enfermedad anticancerígena. Teórico de un método estadístico de desplazamiento químico independiente del núcleo NICS a pequeña distancia y se alternan a gran distancia en el centro de los anillos heterocíclicos. En esta investigación, hemos explorado los enfoques estadísticos a través de cálculos de SNICS-cambios químicos independientes del núcleo en el punto de vista de los movimientos Bq en el centro de los espacios de esfera de los anillos heterocíclicos de algunos medicamentos contra el cáncer. El método S-NICS es un método computacional preciso para estimar la aromaticidad en los anillos que no son de benceno, como los anillos heterocíclicos, que son moléculas estándar en los compuestos orgánicos contra el cáncer. Aunque los valores de NICS para benceno y naftaleno, etc., pueden indicarse como criterio de aromaticidad, para otras moléculas como los anillos heterocíclicos y sus derivados, los valores de S-NICS son mucho más precisos en comparación con el índice de NICS. Los compuestos heterocíclicos con buenas pilas π son buenos cacdidatos para medicamentos contra el cáncer. La precedencia de nitrógeno, oxígeno y azufre en estos compuestos los convierte en partes bioquímicas similares, como los ácidos nucleicos y. Aromaticidad del anillo heterocíclico. Esta similitud, especialmente las pilas π, dan la capacidad de interacción con ADN y ARN y los compuestos heterocíclicos

Estudio computacional de compuestos anticancerígenos heterocíclicos mediante el método nbo

En el presente estudio, el método NBO contiene las energías HOMO y LUMO calculadas para 10 fármacos anticancerígenos heterocíclicos diferentes utilizando B3LYP/6-31G(d,p). Los orbitales moleculares fronterizos (HOMO y LUMO) y el mapa de potencial electrostático molecular del compuesto se produjeron utilizando el apilamiento π de estructuras y la actividad anticancerígena de las moléculas. El análisis NBO sugirió que el sistema molecular contiene interacción π- π, fuertes interacciones conjugativas y la molécula se vuelve más polarizada debido al movimiento de la nube de electrones π del donante al aceptor. Se investigaron las energías NBO, HOMO y LUMO y se investigó la actividad anticancerígena de los compuestos heterocíclicos aromáticos mediante el estudio NBO y el resultado se comparó con nuestro estudio anterior sobre NICS y S-NICS de estos 10 fármacos anticancerígenos. La brecha HOMO/LUMO del fármaco anticancerígeno heterocíclico es significativamente diferente entre sí. El método NBO se utiliza tanto en moléculas simétricas como asimétricas y proporciona información precisa sobre los aromáticos del compuesto, especialmente los anillos heterocíclicos. También proporciona información precisa en áreas protegidas. La molécula 8 tiene la mayor cantidad de HOMO y, por lo tanto, aromaticidad entre los compuestos estudiados, lo que confirma el resultado del examen de orbitales moleculares

The Effect of Teaching Palliative Care on the Self-Efficacy of Elderly Patients with Chronic Heart Failure

ABSTRACTObjetive: Determine the effect of teaching palliative care on the self-efficacy of elderly with Chronic Heart Failure. Material and Methods: This single-blind randomized clinical trial was done on patients with Chronic Heart Failure attending to the heart clinics of Golestan University of Medical Sciences in 2018. 48 eligible patients with class-III were selected via convenience sampling. Patients allocated into control and intervention group randomly (n=32). Palliative care training was done for intervention group for six weeks. Data was gathered through the Cardiac Self-Efficacy Scale (CSES) on three time points (before, immediately, and one month after intervention). Data were analyzed in SPSS-18 using independent t-test, chi-squared, Fisher's exact, and repeated-measures ANOVA with corrected Bonferroni post-hoc test. Results: Finding showed that before intervention the mean scores of self-efficacy in intervention and control group was 23.95±8.34 and 24.11±9.41, respectively. Immediate and one month after intervention it was 26.30±8.30 vs. 28.95±8.53 in intervention group and 24.68±9.32 vs. 25.53±10.39 in control group. In intervention group there was no significant difference between the mean scores of before with immediate and one month after intervention. However, there was a significant difference between the two time follow up in both intervention (p<0.0001) and control (p<0.003) groups. Conclusion: Although the education of palliative care has increased the ability to care in elderly, it seems that self-managing in complex conditions is required follow-up over time

Estudio de la aromaticidad de los compuestos anticancerígenos heterocíclicos mediante el método computacional s-nics

In this study, we have sujessted a theoritical aproach via computing of nucleus-independent chemical shifts (S-NICS) in view point of probes motions in a sphere of de-shielding and shielding spaces of rings of anticancer contain heterocyclic rings. Few research in theoretical of a statistical approach in NMR shielding and nucleus independent chemical shifts for study of anticancer drugs. S-NICS method is an accurate method for estimation the amount of aromaticity in the non-benzene rings such as heterocyclic rings which is a famous for organic chemical compounds as anti-cancer disease. Theoretical of a statistical method of NICS-nucleus independent chemical shift in small distance and are alternate in large distance in the center of heterocyclic rings. In this research, we have explored the statistical approaches through nucleus-independent chemical shifts-SNICS calculations in view point of Bq motions in the center of sphere spaces of heterocyclic rings of some anticancer drugs. The S-NICS method is an accurate computing method for estimation the aromaticity in the non-benzene rings such as heterocyclic rings which are standard molecules in organic anti-cancer compounds. Although NICS values for benzene and naphthalene and so on can be indicated as aromaticity criterion, for other molecules such as heterocyclic rings and their derivatives, S-NICS values are much more accurate compare to NICS index. Hetrocyclic compound with good π stacks are good cacdidate for anticancer medicines.  Precence of Nitrogen, oxygen and sulfur in these compounds make them similar biochemical parts such as nuclice acids and. Aromaticity of heterocyclic ring.   This similarity especially them π stacks give the the ability of interaction with DNAs and RNAs and the heterocyclic compounds.En este estudio, hemos sugerido un enfoque teórico a través de la computación de los cambios químicos independientes del núcleo (S-NICS) en el punto de vista de los movimientos de las sondas en una esfera de espacios de desprotección y protección de anillos de anticancerígenos que contienen anillos heterocíclicos. Pocas investigaciones teóricas sobre un enfoque estadístico en el blindaje de RMN y los cambios químicos independientes del núcleo para el estudio de medicamentos contra el cáncer. El método S-NICS es un método preciso para estimar la cantidad de aromaticidad en los anillos sin benceno, como los anillos heterocíclicos, que es famoso por los compuestos químicos orgánicos como la enfermedad anticancerígena. Teórico de un método estadístico de desplazamiento químico independiente del núcleo NICS a pequeña distancia y se alternan a gran distancia en el centro de los anillos heterocíclicos. En esta investigación, hemos explorado los enfoques estadísticos a través de cálculos de SNICS-cambios químicos independientes del núcleo en el punto de vista de los movimientos Bq en el centro de los espacios de esfera de los anillos heterocíclicos de algunos medicamentos contra el cáncer. El método S-NICS es un método computacional preciso para estimar la aromaticidad en los anillos que no son de benceno, como los anillos heterocíclicos, que son moléculas estándar en los compuestos orgánicos contra el cáncer. Aunque los valores de NICS para benceno y naftaleno, etc., pueden indicarse como criterio de aromaticidad, para otras moléculas como los anillos heterocíclicos y sus derivados, los valores de S-NICS son mucho más precisos en comparación con el índice de NICS. Los compuestos heterocíclicos con buenas pilas π son buenos cacdidatos para medicamentos contra el cáncer. La precedencia de nitrógeno, oxígeno y azufre en estos compuestos los convierte en partes bioquímicas similares, como los ácidos nucleicos y. Aromaticidad del anillo heterocíclico. Esta similitud, especialmente las pilas π, dan la capacidad de interacción con ADN y ARN y los compuestos heterocíclicos