Abstract: The paper presents results of the project conducted in Poland devoted to study on bird strikes at military airfields. The main aim of this project was to develop methods of aircraft protection against threats from birds. The studies were carried out using two methods. One by transect and the other one by selected sector scanning. During the research, it was recorded, that 104 species of birds in the number about of 36000 were observed. The most frequent ones were starling Sturnus vulgaris (31.0%), jackdaw Corvus monedula (18.3%), rook Corvus frugilegus (15.9 %), lapwing Vanellus vanellus (6.2%). Moreover, it was found, that starlings constituted the most serious threat. It resulted from their relatively high attendance at the runway (about 300 individuals). Possible repellent techniques concerning of the Deblin military airfield were discussed. The analysis of the birds’ concentration depending on the altitude, part of the day, year, part of the airfield constituted a base to work out critical flight phase and appropriate procedures to prevent bird strikes.
Abstract: In recent years, the use of renewable energy resources
instead of pollutant fossil fuels and other forms has increased.
Photovoltaic generation is becoming increasingly important as a
renewable resource since it does not cause in fuel costs, pollution,
maintenance, and emitting noise compared with other alternatives
used in power applications. In this paper, Perturb and Observe and
Incremental Conductance methods are used to improve energy
conversion efficiency under different environmental conditions. PI
controllers are used to control easily DC-link voltage, active and
reactive currents. The whole system is simulated under standard
climatic conditions (1000 W/m2, 250C) in MATLAB and the
irradiance is varied from 1000 W/m2 to 300 W/m2. The use of PI
controller makes it easy to directly control the power of the grid
connected PV system. Finally the validity of the system will be
verified through the simulations in MATLAB/Simulink environment.
Abstract: Soil improvement using vibro stone column techniques consists of two main parts: (1) the installed load bearing columns of well-compacted, coarse-grained material and (2) the improvements to the surrounding soil due to vibro compaction. Extensive research work has been carried out over the last 20 years to understand the improvement in the composite foundation performance due to the second part mentioned above. Nevertheless, few of these studies have tried to quantify some of the key design parameters, namely the changes in the stiffness and stress state of the treated soil, or have consider these parameters in the design and calculation process. Consequently, empirical and conservative design methods are still being used by ground improvement companies with a significant variety of results in engineering practice. Two-dimensional finite element study to develop an axisymmetric model of a single stone column reinforced foundation was performed using PLAXIS 2D AE to quantify the effect of the vibro installation of this column in soft saturated clay. Settlement and bearing performance were studied as an essential part of the design and calculation of the stone column foundation. Particular attention was paid to the large deformation in the soft clay around the installed column caused by the lateral expansion. So updated mesh advanced option was taken in the analysis. In this analysis, different degrees of stone column lateral expansions were simulated and numerically analyzed, and then the changes in the stress state, stiffness, settlement performance and bearing capacity were quantified. It was found that application of radial expansion will produce a horizontal stress in the soft clay mass that gradually decrease as the distance from the stone column axis increases. The excess pore pressure due to the undrained conditions starts to dissipate immediately after finishing the column installation, allowing the horizontal stress to relax. Changes in the coefficient of the lateral earth pressure K ٭, which is very important in representing the stress state, and the new stiffness distribution in the reinforced clay mass, were estimated. More encouraging results showed that increasing the expansion during column installation has a noticeable effect on improving the bearing capacity and reducing the settlement of reinforced ground, So, a design method should include this significant effect of the applied lateral displacement during the stone column instillation in simulation and numerical analysis design.
Abstract: Approximately 10,000 different types of dyes and
pigments are being used in various industrial applications yearly,
which include the textile and printing industries. However, these dyes
are difficult to degrade naturally once they enter the aquatic system.
Their high persistency in natural environment poses a potential health
hazard to all form of life. Hence, there is a need for alternative dye
removal strategy in the environment via bioremediation. In this study,
fungi laccase is investigated via commercial agar dyes plates and
submerged fermentation to explore the application of fungi laccase in
textile dye wastewater treatment. Two locally isolated basidiomycetes
were screened for laccase activity using media added with commercial
dyes such as 2, 2-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid
(ABTS), guaiacol and Remazol Brillant Blue R (RBBR). Isolate TBB3
(1.70±0.06) and EL2 (1.78±0.08) gave the highest results for ABTS
plates with the appearance of greenish halo on around the isolates.
Submerged fermentation performed on Isolate TBB3 with the
productivity 3.9067 U/ml/day, whereas the laccase activity for Isolate
EL2 was much lower (0.2097 U/ml/day). As isolate TBB3 showed
higher laccase production, it was subjected to molecular
characterization by DNA isolation, PCR amplification and sequencing
of ITS region of nuclear ribosomal DNA. After being compared with
other sequences in National Center for Biotechnology Information
(NCBI database), isolate TBB3 is probably from species Trametes
hirsutei. Further research work can be performed on this isolate by
upscale the production of laccase in order to meet the demands of the
requirement for higher enzyme titer for the bioremediation of textile
dyes.
Abstract: The present study investigated the protective effect of
thymoquinone (TQ), against cadmium-induced kidney injury in rats.
Cadmium chloride (1.2 mg Cd/kg/day, s.c.), was given for nine
weeks. TQ treatment (40 mg/kg/day, p.o.) started on the same day of
cadmium administration and continued for nine weeks. TQ
significantly decreased serum creatinine, renal malondialdehyde and
nitric oxide, and significantly increased renal reduced glutathione in
rats received cadmium. Histopathological examination showed that
TQ markedly minimized renal tissue damage induced by cadmium.
Immunohistochemical analysis revealed that TQ markedly decreased
the cadmium-induced expression of inducible nitric oxide synthase,
tumor necrosis factor-α, cyclooxygenase-2, and caspase-3 in renal
tissue. It was concluded that TQ significantly protected against
cadmium nephrotoxicity in rats, through its antioxidant, antiinflammatory,
and antiapoptotic actions.
Abstract: Magnetic Resonance Imaging Contrast Agents
(MRI-CM) are significant in the clinical and biological imaging as
they have the ability to alter the normal tissue contrast, thereby
affecting the signal intensity to enhance the visibility and detectability
of images. Superparamagnetic Iron Oxide (SPIO) nanoparticles,
coated with dextran or carboxydextran are currently available for
clinical MR imaging of the liver. Most SPIO contrast agents are
T2 shortening agents and Resovist (Ferucarbotran) is one of a
clinically tested, organ-specific, SPIO agent which has a low
molecular carboxydextran coating. The enhancement effect of
Resovist depends on its relaxivity which in turn depends on factors
like magnetic field strength, concentrations, nanoparticle properties,
pH and temperature. Therefore, this study was conducted to
investigate the impact of field strength and different contrast
concentrations on enhancement effects of Resovist. The study
explored the MRI signal intensity of Resovist in the physiological
range of plasma from T2-weighted spin echo sequence at three
magnetic field strengths: 0.47 T (r1=15, r2=101), 1.5 T (r1=7.4,
r2=95), and 3 T (r1=3.3, r2=160) and the range of contrast
concentrations by a mathematical simulation. Relaxivities of r1 and r2
(L mmol-1 Sec-1) were obtained from a previous study and the selected
concentrations were 0.05, 0.06, 0.07, 0.08, 0.09, 0.1, 0.2, 0.3, 0.4, 0.5,
0.6, 0.7, 0.8, 0.9, 1.0, 2.0, and 3.0 mmol/L. T2-weighted images were
simulated using TR/TE ratio as 2000 ms /100 ms. According to the
reference literature, with increasing magnetic field strengths, the
r1 relaxivity tends to decrease while the r2 did not show any
systematic relationship with the selected field strengths. In parallel,
this study results revealed that the signal intensity of Resovist at lower
concentrations tends to increase than the higher concentrations. The
highest reported signal intensity was observed in the low field strength
of 0.47 T. The maximum signal intensities for 0.47 T, 1.5 T and 3 T
were found at the concentration levels of 0.05, 0.06 and 0.05 mmol/L,
respectively. Furthermore, it was revealed that, the concentrations
higher than the above, the signal intensity was decreased
exponentially. An inverse relationship can be found between the field
strength and T2 relaxation time, whereas, the field strength was
increased, T2 relaxation time was decreased accordingly. However,
resulted T2 relaxation time was not significantly different between
0.47 T and 1.5 T in this study. Moreover, a linear correlation of
transverse relaxation rates (1/T2, s–1) with the concentrations of
Resovist can be observed. According to these results, it can conclude
that the concentration of SPIO nanoparticle contrast agents and the
field strengths of MRI are two important parameters which can affect the signal intensity of T2-weighted SE sequence. Therefore, when MR
imaging those two parameters should be considered prudently.
Abstract: Thoracotomy is a great surgery that has serious pulmonary complications, so purpose of this study was to determine the response of diaphragmatic excursion to inspiratory muscle trainer post thoracotomy. Thirty patients of both sexes (16 men and 14 women) with age ranged from 20 to 40 years old had done thoracotomy participated in this study. The practical work was done in cardiothoracic department, Kasr-El-Aini hospital at faculty of medicine for individuals 3 days Post operatively. Patients were assigned into two groups: group A (study group) included 15 patients (8 men and 7 women) who received inspiratory muscle training by using inspiratory muscle trainer for 20 minutes and routine chest physiotherapy (deep breathing, cough and early ambulation) twice daily, 3 days per week for one month. Group B (control group) included 15 patients (8 men and 7 women) who received the routine chest physiotherapy only (deep breathing, cough and early ambulation) twice daily, 3 days per week for one month. Ultrasonography was used to evaluate the changes in diaphragmatic excursion before and after training program. Statistical analysis revealed a significant increase in diaphragmatic excursion in the study group (59.52%) more than control group (18.66%) after using inspiratory muscle trainer post operatively in patients post thoracotomy. It was concluded that the inspiratory muscle training device increases diaphragmatic excursion in patients post thoracotomy through improving inspiratory muscle strength and improving mechanics of breathing and using of inspiratory muscle trainer as a method of physical therapy rehabilitation to reduce post-operative pulmonary complications post thoracotomy.
Abstract: Aerobic dance has becoming a popular mode of
exercise especially among women due to its fun nature. With a catchy
music background and joyful dance steps, aerobic dancers would be
able to have fun while sweating out. Depending on its level of
aggressiveness, aerobic may also improve and maintain
cardiorespiratory fitness other than being a great tool for weight loss.
This study intends to prove that aerobic dance activity can bring the
same, if not better impacts on health than other types of
cardiovascular exercise such as jogging and cycling. The objective of
this study was to evaluate and identify the effect of six weeks aerobic
dance on cardiovascular fitness and weight loss among women. This
study, which was held in Seremban Fit Challenge, used a quasiexperimental
design. The subjects selected include a total of 14
women (n = 14) with age (32.4 years old ± 9.1), weight (65.93 kg ±
11.24) and height (165.36 ± 3.46) who joined the Seremban Fit
Challenge Season 13. The subjects were asked to join an aerobic
dance class with a duration of one hour for six weeks in a row. As for
the outcome, cardiovascular fitness was measured with a 1-mile run
test while any changes on weight were measured using the weighing
scale. The result showed that there was a significant difference
between pre and post-test for cardiovascular fitness when p = 0.02
Abstract: This paper explored the challenges faced by the
management of a Ghanaian state enterprise in managing conflicts and
disturbances associated with its attempt to implement new work
practices to enhance its capability to operate as a commercial entity.
The purpose was to understand the extent to which organizational
involvement, consistency and adaptability influence employees’
consumption of new work practices in transforming the
organization’s organizational activity system. Using selfadministered
questionnaires, data were collected from one hundred
and eighty (180) employees and analyzed using both descriptive and
inferential statistics. The results showed that constraints in
organizational involvement and adaptability prevented the positive
consumption of new work practices by employees in the
organization. It is also found that the organization’s employees failed
to consume the new practices being implemented, because they
perceived the process as non-involving, and as such, did not
encourage the development of employee capability, empowerment,
and teamwork. The study concluded that the failure of the
organization’s management to create opportunities for organizational
learning constrained its ability to get employees consume the new
work practices, which situation could have facilitated the
organization’s capabilities of operating as a commercial entity.
Abstract: Dietary cholesterol has elicited the most public
interest as it relates with coronary heart disease. Thus, humans have
been paying more attention to health, thereby reducing consumption
of cholesterol enriched food. Egg is considered as one of the major
sources of human dietary cholesterol. However, an alternative way to
reduce the potential cholesterolemic effect of eggs is to modify the
fatty acid composition of the yolk. The effect of palm oil (PO),
soybean oil (SO), sesame seed oil (SSO) and fish oil (FO)
supplementation in the diets of layers on egg yolk fatty acid,
cholesterol, egg production and egg quality parameters were
evaluated in a 42-day feeding trial. One hundred and five Isa Brown
laying hens of 34 weeks of age were randomly distributed into seven
groups of five replicates and three birds per replicate in a completely
randomized design. Seven corn-soybean basal diets (BD) were
formulated: BD+No oil (T1), BD+1.5% PO (T2), BD+1.5% SO (T3),
BD+1.5% SSO (T4), BD+1.5% FO (T5), BD+0.75% SO+0.75% FO
(T6) and BD+0.75% SSO+0.75% FO (T7). Five eggs were randomly
sampled at day 42 from each replicate to assay for the cholesterol,
fatty acid profile of egg yolk and egg quality assessment. Results
showed that there were no significant (P>0.05) differences observed
in production performance, egg cholesterol and egg quality
parameters except for yolk height, albumen height, yolk index, egg
shape index, haugh unit, and yolk colour. There were no significant
differences (P>0.05) observed in total cholesterol, high density
lipoprotein and low density lipoprotein levels of egg yolk across the
treatments. However, diets had effect (P
Abstract: This research work is an experimental study, through
development of an adhesive from Prosopis africana endosperm. The
prosopis seed for this work were obtained from Enugu State in the
South East part of Nigeria. The seeds were prepared by separating the
endosperm from the seed coat and cotyledon. Three methods were
used to separate them, which are acidic method, roasting method and
boiling method. 20g of seed were treated with different
concentrations (25, 40, 55, 70, and 85% w/w) at 100°C and constant
time (30 minutes), under continuous stirring with magnetic stirrer.
Also 20g of seed were treated with sulphuric acid of concentrations
40% w/w at 100°C with different time (10, 15, 20, 25, 30 minutes),
under continuous stirring with magnetic stirrer. Finally, 20g of seed
were treated with sulphuric acid of concentrations 40% w/w at
different temperature (20°C, 40°C, 60°C, 80°C, and 100°C) with
constant time (30 minutes), under continuous stirring with magnetic
stirrer. The whole endosperm extracted was adhesive. The physical
properties of the adhesive were determined (appearance, odour, taste,
solubility, pH, size, and binding strength). The percentage of the
adhesive yield makes the commercialization of the seed in Nigeria
possible and profitable. The very high viscosity attained at low
concentrations makes prosopis adhesive an excellent thickener in the
food industry.
Abstract: Computer education is referred to as the knowledge
and ability to use computers and related technology efficiently, with a
range of skills covering levels from basic use to advance. Computer
continues to make an ever-increasing impact on all aspect of human
endeavours such as education. With numerous benefits of computer
education, what are the insights of students on computer education?
This study investigated the perception of senior secondary school
students on computer education in Federal Capital Territory (FCT),
Abuja, Nigeria. A sample of 7500 senior secondary schools students
was involved in the study, one hundred (100) private and fifty (50)
public schools within FCT. They were selected by using simple
random sampling technique. A questionnaire [PSSSCEQ] was
developed and validated through expert judgement and reliability coefficient
of 0.84 was obtained. It was used to gather relevant data on
computer education. Findings confirmed that the students in the FCT
had positive perception on computer education. Some factors were
identified that affect students’ perception on computer education. The
null hypotheses were tested using t-test and ANOVA statistical
analyses at 0.05 level of significance. Based on these findings, some
recommendations were made which include competent teachers
should be employed into all secondary schools. This will help
students to acquire relevant knowledge in computer education,
technological supports should be provided to all secondary schools;
this will help the users (students) to solve specific problems in
computer education and financial supports should be provided to
procure computer facilities that will enhance the teaching and the
learning of computer education.
Abstract: Zinc borates are used as a multi-functional flame
retardant additive for its high dehydration temperature. In this study,
the method of ultrasonic mixing was used in the synthesis of zinc
borates. The reactants of zinc oxide (ZnO) and boric acid (H3BO3)
were used at the constant reaction parameters of 90°C reaction
temperature and 55 min of reaction time. Several molar ratios of
ZnO:H3BO3 (1:1, 1:2, 1:3, 1:4 and 1:5) were conducted for the
determination of the optimum reaction ratio. Prior to synthesis the
characterization of the synthesized zinc borates were made by X-Ray
Diffraction (XRD) and Fourier Transform Infrared Spectroscopy
(FT-IR). From the results Zinc Oxide Borate Hydrate
[Zn3B6O12.3.5H2O], were synthesized optimum at the molar ratio of
1:3, with a reaction efficiency of 95.2%.
Abstract: Value addition to agricultural produce is of possible
potential in reducing poverty, improving food security and
malnutrition, therefore the need to develop small and microenterprises
of sweet potato production. A study was carried out in Nigeria to determine the acceptability
of blends sweet potato (Ipomea batatas) and commodities yellow
maize (Zea mays), millet (Pennisetum glaucum), soybean (Glycine
max), bambara groundnut (Vigna subterranean), guinea corn
(Sorghum vulgare), wheat (Triticum aestivum), and roselle (Hibiscus
sabdariffa) through sensory evaluation. Sweet potato (Ipomea batatas) roots were processed using two
methods: oven and sun drying. The blends were also assessed in
terms of functional, chemical and color properties. Most acceptable blends include BAW (80:20 of sweet
potato/wheat), BBC (80:20 of sweet potato/guinea corn), AAB (60:40
of sweet potato/guinea corn), YTE (100% soybean), TYG (100%
sweet potato), KTN (100% wheat flour), XGP (80:20 of sweet
potato/soybean), XAX (60:40 of sweet potato/wheat), LSS (100%
Roselle), CHK (100% Guinea corn), and ABC (60:40% of sweet
potato/ yellow maize). In addition, carried out chemical analysis
revealed that sweet potato has high percentage of vitamins A and C,
potassium (K), manganese (Mn), calcium (Ca), magnesium (Mg) and
iron (Fe) and fibre content. There is also an increase of vitamin A and
Iron in the blended products.
Abstract: Carbon dioxide is one of the major greenhouse gas
(GHG) contributors. It is an obligation of the industry to reduce the
amount of carbon dioxide emission to the acceptable limits.
Tremendous research and studies are reported in the past and still the
quest to find the suitable and economical solution of this problem
needed to be explored in order to develop the most plausible absorber
for carbon dioxide removal. Amino acids can be potential alternate
solvents for carbon dioxide capture from gaseous streams. This is due
to its ability to resist oxidative degradation, low volatility and its
ionic structure. In addition, the introduction of promoter-like
piperazine to amino acid helps to further enhance the solubility. In
this work, the effect of piperazine on thermo physical properties and
solubility of β-Alanine aqueous solutions were studied for various
concentrations. The measured physicochemical properties data was
correlated as a function of temperature using least-squares method
and the correlation parameters are reported together with it respective
standard deviations. The effect of activator piperazine on the CO2
loading performance of selected amino acid under high-pressure
conditions (1bar to 10bar) at temperature range of (30 to 60)oC was
also studied. Solubility of CO2 decreases with increasing temperature
and increases with increasing pressure. Quadratic representation of
solubility using Response Surface Methodology (RSM) shows that
the most important parameter to optimize solubility is system
pressure. The addition of promoter increases the solubility effect of
the solvent.
Abstract: To evaluate the effect of intramuscular administration
of vitamin A in pregnant dairy cows during late stages of pregnancy,
on vitamin A status of neonatal calves, a total of 30 cows were
randomly selected and divided into three groups; two treatment
groups and one control group. Single intramuscular injection of
2000000 IU vitamin A; was carried in 10 dairy cows at 7 months of
pregnancy (group 1). In second group of treated animals (10 cows)
the injection was performed in 8 months of pregnancy (group 2). Ten
pregnant dairy cows were received saline injection as placebo and
selected as control group. Blood samples were collected from
experimental dairy cows at 7 and 8 months of pregnancy as well as
their newborn calves’ pre and after colostrum intake. There was no
significant difference between vitamin A and β-carotene
concentration of dairy cows of three groups in two last months of
pregnancy (P> 0.05). Vitamin A concentration of calves of two
treatment groups before and after receiving of colostrum were
significantly higher than that in control group (P< 0.05). There was
no significant difference between serum concentrations of vitamin A
in calves of two treated groups (P> 0.05). β-Carotene concentration
of serum samples of dairy cows and neonatal calves of three groups
were not significantly different as compared with together. From
results of the present study it can be concluded that single injection of
vitamin A during at 7 or 8 month of pregnancy can significantly
increase level of vitamin A in their colostrum and neonatal calves.
Abstract: The purposes of this research are to make comparisons in
respect of the behaviors on the use of the services of metered taxi
classified by the demographic factor and to study the influence of the
recognition on service quality having the effect on usage behaviors of
metered taxi services of consumers in Bangkok Metropolitan Areas. The
samples used in this research were 400 metered taxi service users in
Bangkok Metropolitan Areas and questionnaire was used as the tool for
collecting the data. Analysis statistics are mean and multiple regression
analysis. Results of the research revealed that the consumers recognize the
overall quality of services in each aspect include tangible aspects of the
service, responses to customers, assurance on the confidence,
understanding and knowing of customers which is rated at the moderate
level except the aspect of the assurance on the confidence and
trustworthiness which are rated at a high level. For the result of
hypothetical test, it is found that the quality in providing the services on
the aspect of the assurance given to the customers has the effect on the
usage behaviors of metered taxi services and the aspect of the frequency
on the use of the services per month which in this connection. Such
variable can forecast at one point nine percent (1.9%). In addition, quality
in providing the services and the aspect of the responses to customers
have the effect on the behaviors on the use of metered taxi services on the
aspect of the expenses on the use of services per month which in this
connection, such variable can forecast at two point one percent (2.1%).
Abstract: The present research aimed at studying the awareness
and attitudes of teachers towards inclusive education. The sample
consisted of 60 teachers, teaching in the primary section (1st – 4th) of
regular schools affiliated to the SSC board in Mumbai. Sample was
selected by Multi-stage cluster sampling technique. A semi-structured
self-constructed interview schedule and a self-constructed attitude
scale was used to study the awareness of teachers about disability and
Inclusive education, and their attitudes towards inclusive education
respectively. Themes were extracted from the interview data and
quantitative data was analyzed using SPSS package. Results revealed
that teachers had some amount of awareness but an inadequate
amount of information on disabilities and inclusive education.
Disability to most (37) teachers meant “an inability to do something”.
The difference between disability and handicap was stated by most as
former being cognitive while handicap being physical in nature. With
regard to Inclusive education, a large number (46) stated that they
were unaware of the term and did not know what it meant. Majority
(52) of them perceived maximum challenges for themselves in an
inclusive set up, and emphasized on the role of teacher training
courses in the area of providing knowledge (49) and training in
teaching methodology (53). Although, 83.3% of teachers held a
moderately positive attitude towards inclusive education, a large
percentage (61.6%) of participants felt that being in inclusive set up
would be very challenging for both children with special needs and
without special needs. Though, most (49) of the teachers stated that
children with special needs should be educated in regular classroom
but they further clarified that only those should be in a regular
classroom who have physical impairments of mild or moderate
degree.
Abstract: The Com-Poisson (CMP) model is one of the most
popular discrete generalized linear models (GLMS) that handles
both equi-, over- and under-dispersed data. In longitudinal context,
an integer-valued autoregressive (INAR(1)) process that incorporates
covariate specification has been developed to model longitudinal
CMP counts. However, the joint likelihood CMP function is
difficult to specify and thus restricts the likelihood-based estimating
methodology. The joint generalized quasi-likelihood approach
(GQL-I) was instead considered but is rather computationally
intensive and may not even estimate the regression effects due
to a complex and frequently ill-conditioned covariance structure.
This paper proposes a new GQL approach for estimating the
regression parameters (GQL-III) that is based on a single score vector
representation. The performance of GQL-III is compared with GQL-I
and separate marginal GQLs (GQL-II) through some simulation
experiments and is proved to yield equally efficient estimates as
GQL-I and is far more computationally stable.
Abstract: The 1:1 cocrystal of 2-amino-4-chloro-6-
methylpyrimidine (2A4C6MP) with 4-methylbenzoic acid (4MBA)
(I) has been prepared by slow evaporation method in methanol,
which was crystallized in monoclinic C2/c space group, Z = 8, and a
= 28.431 (2) Å, b = 7.3098 (5) Å, c = 14.2622 (10) Å and β =
109.618 (3)°. The presence of unionized –COOH functional group in
cocrystal I was identified both by spectral methods (1H and 13C
NMR, FTIR) and X-ray diffraction structural analysis. The
2A4C6MP molecule interact with the carboxylic group of the
respective 4MBA molecule through N—H⋯O and O—H⋯N
hydrogen bonds, forming a cyclic hydrogen–bonded motif R2
2(8).
The crystal structure was stabilized by Npyrimidine—H⋯O=C and
C=O—H⋯Npyrimidine types hydrogen bonding interactions.
Theoretical investigations have been computed by HF and density
function (B3LYP) method with 6–311+G (d,p)basis set. The
vibrational frequencies together with 1H and 13C NMR chemical
shifts have been calculated on the fully optimized geometry of
cocrystal I. Theoretical calculations are in good agreement with the
experimental results. Solvent–free formation of this cocrystal I is
confirmed by powder X-ray diffraction analysis.