Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nitro group proceeds through direct pathway along with formation of several reaction intermediates. Most of these intermediaries reside in a significant well-depth in reference to the entrance channel. Central to the constructed mechanism is H-transfer steps from fcc and hcp hollow sites to the NO/–NH groups through modest reaction barriers. Our computed rate constant for the conversion of p-CNB correlates very well with the experimental finding (0.018 versus 0.033 s–1 at ∼500 K). Plotted species profiles via a simplified kinetics model confirms the experimentally reported high selectivity toward the formation of p-CAN at relatively low temperatures. It is hoped that thermokinetics parameters and mechanistic pathways provided herein will afford a molecular level understanding for γ-Mo2N-mediated conversion of halogenated nitrobenzenes into their corresponding nitroanilines; a process that entails significant industrial applications.
significant bits either in the spatial domain or frequency domain sequentially or pseudo
randomly through the cover media (Based on this fact) statistical Steganalysis use different
techniques to detect the hidden message, A proposed method is suggested of a stenographic
scheme a hidden message is embedded through the second least significant bits in the
frequency domain of the cover media to avoid detection of the hidden message through the
known statistical Steganalysis techniques.
The physician's commitment to medical insight is affected by several factors that vary from patient to patient in terms of the nature of the disease, the severity of the disease, the age of the patient, and the purpose of undergoing medical intervention. There are circumstances surrounding patients that require the physician to reduce the insight towards them, by concealing medical information. The physician must firmly commit to expanding the scope of his vision to a wider extent than in normal medical work. Therefore, we will discuss in this regard the cases in which medical explanation is reduced and the cases that require confirmation in the following order.
(1)
Many Iraqi students are reluctant to actively participate in the English
language classroom. This reluctance is attributed to a number of factors, above which
is students' lack of thinking skills necessary to express their points of view. This
eventually results in passive learning, a real problem in English language learning in
Iraq.
A need for educational reforms and innovations seems essential. These involve
developing relevant teaching materials, adopting learner-centered approach,
promoting learner autonomy, and enhancing critical thinking.
This study is hoped to assist teachers of English to initiate change and foster
the expansion of thinking, and adopt various new strategies to increase classroom
par
Many Iraqi students are reluctant to actively participate in the English
language classroom. This reluctance is attributed to a number of factors, above which
is students' lack of thinking skills necessary to express their points of view. This
eventually results in passive learning, a real problem in English language learning in
Iraq.
A need for educational reforms and innovations seems essential. These involve
developing relevant teaching materials, adopting learner-centered approach,
promoting learner autonomy, and enhancing critical thinking.
This study is hoped to assist teachers of English to initiate change and foster
the expansion of thinking, and adopt various new strategies to increase classroom
par
Due to the difficulties that Iraqi students face when writing in the English language, this preliminary study aimed to improve students' writing skills by using online platforms remotely. Sixty first-year students from Al-Furat Al–Awsat Technical University participated in this study. Through these platforms, the researchers relied on stimuli, such as images, icons, and short titles to allow for deeper and more accurate participations. Data were collected through corrections, observations, and feedback from the researchers and peers. In addition, two pre and post-tests were conducted. The quantitative data were analysed by SPSS statistical Editor, whereas the qualitative data were analyzed using the Piot table, an Excel sheet. The resu
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Respiratory syncytial virus (RSV) is an important cause of respiratory infection among children and infants globally. The first line of the immune response against this virus is neutrophils, macrophages, and innate lymphoid cells. Antigen‑presenting cells such as dendritic cells which present the viral antigen to T lymphocytes that mediate viral clearance by T cytotoxic cells and initiate systemic lymphopenia. Humoral immunity will also be stimulated through B‑cell‑stimulating factors derived from epithelial cells of the respiratory tract that play an important factor in antibody production and induction memory to reinfection through IgG and IgA protective antibodies that are useful in vaccine production.
In the last decade, the web has rapidly become an attractive platform, and an indispensable part of our lives. Unfortunately, as our dependency on the web increases so programmers focus more on functionality and appearance than security, has resulted in the interest of attackers in exploiting serious security problems that target web applications and web-based information systems e.g. through an SQL injection attack. SQL injection in simple terms, is the process of passing SQL code into interactive web applications that employ database services such applications accept user input such as form and then include this input in database requests, typically SQL statements in a way that was not intende
... Show MoreIn this research the subject of human ability to change, as it is proven in the Koran , which is proof of the argument against the ability of human change , whether the change in the positive or negative direction .
Here the limits of the research are limited to a study of analysis of human ability to change and this establishes the important of knowing that man has the ability while in the wrong way to change the path to the right path which Gifts and guidance .
The search required three demands and conclusion
- The first required :- is to try the idolaters to take out believers by right .
- The second required :- is to change what is inside the soul as a reason to enter blessings on man .
- The third required :- is good
In this research , we tried to identify the meaning empowerment in the development literatures , and inquire the most enabling prominent actions to promote women , as we considered the most important international conferences that take up the subject of women's empowerment .
In the context of research on the subject of empowering women to occupy leadership positions , we tried to diagnose the target of the empowerment , and we clarify the correlation between human development and empowerment of women , also the research touched on the decision (1325) issued by the United Nations , which includes provisions regarding the importance of women participation at all levels in the process of decision-making .
We realized that there are so