Original Research Article
Nanochemistry
Simin Sharifi; Farzaneh Lotfipour; Mohammad Ali Ghavimi; Solmaz Maleki Dizaj; Shahriar Shahi; Javad Yazdani; Masumeh Mokhtarpour; Rovshan Khalilov
Abstract
In this study, HAP-gelatin and CC-gelatin nanocomposite scaffolds, as bioactive inorganic materials, were synthesized successfully through a chemical precipitation procedure. Next, characterization of the prepared nanocomposite scaffolds was completed using scanning electron microscopy (SEM), dynamic ...
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In this study, HAP-gelatin and CC-gelatin nanocomposite scaffolds, as bioactive inorganic materials, were synthesized successfully through a chemical precipitation procedure. Next, characterization of the prepared nanocomposite scaffolds was completed using scanning electron microscopy (SEM), dynamic light scattering (DLS), zeta-sizer (for zeta potential measurement), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). Then, we soaked the generated nanocomposite scaffolds in the simulated body fluid (SBF) for several times to investigate and compare the bioactivity of these nanocomposites and determine the percent of weight loss. The rate of calcium ions dissolution in SBF media was determined utilizing atomic absorption spectroscopy (AAS). The findings of characterization showed that the preparation of nanocomposites was successful with monodispersed nanosized particles, uniform agglomerated morphology, crystalline form, and negative surface charge. According to the results of the bioactivity test, both nanocomposite scaffolds were of high bioactivity, corroborated well with the patterns of calcium release. Calcium ions released from the HAP-gelatin nanocomposite were higher than that of the CC-gelatin. However, the bioactivity of CC was comparable with well-known bioactive HAP material. Therefore, it could be a promising alternative for use compared with HAP, the preparation of which is more complicated and expensive.

Original Research Article
Management in Chemistry
Kumari Akriti; Ipseeta Satpathy; B.C.M. Patnaik
Abstract
Covid-19 has had adverse impact on various sectors of the economy. India’s Corona epidemic started spreading at the fastest pace across the world, becoming the 3rd highest country with infected corona patients. If no further vaccines or measures are in place, it will be very difficult to stabilize ...
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Covid-19 has had adverse impact on various sectors of the economy. India’s Corona epidemic started spreading at the fastest pace across the world, becoming the 3rd highest country with infected corona patients. If no further vaccines or measures are in place, it will be very difficult to stabilize the situation. The government is trying to manage the various challenges that are coming in their way through various economic packages and providing extra funds for healthcare sector. During the lockdown the informal sector suffered the maximum due to the job losses and food insecurity. The livelihood sector which includes agricultural, fishing, poultry, self-help groups and migrant workers are major sufferers in India. Unemployment level in India reached all-time high reaching 23.5 % in April after imposing nationwide lockdown to curb the spread of pandemic.

Original Research Article
Management in Chemistry
Sadhna Sudershana; Ipseeta Satpathy; B.C.M. Patnaik
Abstract
Employees’ engagement or employees’ commitment is the most sought-after skill in employees for yielding maximum productivity at the work front as well as being happy at the personal front. There are many factors that affect engagement levels such as work culture, job satisfaction, remuneration, ...
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Employees’ engagement or employees’ commitment is the most sought-after skill in employees for yielding maximum productivity at the work front as well as being happy at the personal front. There are many factors that affect engagement levels such as work culture, job satisfaction, remuneration, etc. However, 2020 brought another new factor, i.e. the impact of the Coronavirus pandemic on the lives of people around the globe. This lockdown introduced new modes of work in the form of remote working conditions. Accordingly, Covid19 has had a huge effect on the motivation levels of people and thereby impacted productivity. The objective of this study is to map the impact of this pandemic on the engagement levels of the employees in information technology companies. This research has adopted a descriptive survey method and has used both primary and secondary data to deduce results. The findings of this study can help organizations to adopt new methods to keep their employees committed towards their work during periods of crisis such as Cornona pandemic.

Original Research Article
Computational Chemistry
Kun Harismah; Mahmoud Mirzaei; Muhammad Dai; Zahra Roshandel; Elham Salarrezaei
Abstract
In this work, advantages of applications of nanocarbon materials were investigated for diagnosis purpose of coronavirus disease 2019 (COVID-19). To do so, interactions of four representative models of nanocarbon materials including carbon nanotube (CNT), carbon nanocone (CNC), carbon graphene (CGR), ...
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In this work, advantages of applications of nanocarbon materials were investigated for diagnosis purpose of coronavirus disease 2019 (COVID-19). To do so, interactions of four representative models of nanocarbon materials including carbon nanotube (CNT), carbon nanocone (CNC), carbon graphene (CGR), and carbon fullerene (CFR) were investigated against spike protein (SP) and main protease (MPO) macromolecular targets of coronavirus. The obtained results indicated that the structure of nanocarbon was important to show its functions for complex formation, in which the CNC ligand was seen to strongly interact with both of SP and MPO targets among other nanocarbon ligands. Additionally, CNC showed more flexibility of conformational relaxation against the target through molecular docking simulation processes. As a distinguished achievement of this work, nanocarbon materials could work for diagnosis purpose of COVID-19 with the best function for CNC to achieve the purpose. All results of this work were obtained based on employing the computer-based in silico approach at the lowest molecular scale including structural optimization and molecular docking simulation.

Original Research Article
Methematical Chemistry
Faryal Chaudhry; Muhammad Ehsan; Farkhanda Afzal; Mohammad Reza Farahani; Murat Cancan; Idris Çiftçi
Abstract
Chemical graph theory has an important role in the development of chemical sciences. A graph is produced from certain molecular structure by means of applying several graphical operations. The local graph parameter is valency, which is defined for every vertex as the number associates with other vertices ...
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Chemical graph theory has an important role in the development of chemical sciences. A graph is produced from certain molecular structure by means of applying several graphical operations. The local graph parameter is valency, which is defined for every vertex as the number associates with other vertices in a graph, for example an atom in a molecule. The demonstration of chemical networks and chemical compounds with the help of M-polynomials is a novel idea. The M-polynomial of different molecular structures help to compute several topological indices. A topological index is a numeric quantity that describes the whole structure of a molecular graph of the chemical compound and clarifies its physical features, chemical reactivates and boiling activities. In this paper we computed M-Polynomial and topological indices of TUHRC4 Graph, then we recovered numerous topological indices using the M-polynomials.

Original Research Article
Methodologies
Fatemeh Ghanian; Shoka Shahriari; Masoumeh Yadollahi
Abstract
With due attention to increasing use of X-ray imaging techniques, raising the level of knowledge of employees in this regard can play an important role in reducing the frequency of genetic abnormalities and carcinogenesis caused by radiation in the community. The purpose of this study was to evaluate ...
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With due attention to increasing use of X-ray imaging techniques, raising the level of knowledge of employees in this regard can play an important role in reducing the frequency of genetic abnormalities and carcinogenesis caused by radiation in the community. The purpose of this study was to evaluate the level of awareness of nurses in intensive care units from radiation protection during portable radiography. In a descriptive cross-sectional study, 92 nurses working in intensive care units were evaluated. Data were collected by a two-part questionnaire including 4 questions about demographic information (age, sex, background and education) and 11 questions regarding radiation protection. Data were analyzed by SPSS software version 21 using t-test, ANOVA and Kruskal-Wallis tests. The significance level was less than 0.05 of participants, 38.9% had poor knowledge (score less than 5), 56.9% had moderate knowledge (score of 5 to 7) and 4.2% had good knowledge (score of 8 and more). The difference of mean score in male and female and between nurses with different educational levels was not significant (P=0.470 and 0.683, respectively). The mean score in personnel with different work history and age did not show significant difference (P=0.098 and 0.222, respectively). The level of knowledge from radiation protection was moderate and weak in our study. It seems that the provision of in-person training as well as educational brochures in shorter intervals have a good effect on personnel knowledge from radiation protection.

Review Article
Analytical chemistry
Majedeh Bijad; Akbar Hojjati-Najafabadi; Hesam Asari-Bami; Sepideh Habibzadeh; Issa Amini; Farzaneh Fazeli
Abstract
Sulfite is used as preservatives to slow browning and discoloration in foods and beverages during preparation, storage and distribution. In various pharmaceutical and food industries, sulfite is utilized for inhibition of nonenzymatic and enzymatic browning. Also, in brewing industries, it acts as an ...
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Sulfite is used as preservatives to slow browning and discoloration in foods and beverages during preparation, storage and distribution. In various pharmaceutical and food industries, sulfite is utilized for inhibition of nonenzymatic and enzymatic browning. Also, in brewing industries, it acts as an antioxidizing and antibacterial agent. Several toxic and adverse reactions, including vitamin deficiency, hypersensitivity, and allergic diseases have been attributed to sulfites ingestion that may cause dysbiotic oral and gut microbiota events. Thus, the content of sulfite in foods must be controlled and monitored, and it is essential to find a specific, reproducible, and sensitive method to detect sulfite. Some analytical solutions are being tested to quantify sulfite. However, due to their advantage over traditional techniques, electroanalytical techniques are attracting much attention, because they are simple, fast, affordable, and sensitive to implement. In addition, modifying the electrodes controls the morphology and size that results in the miniaturization to be used in portable electro-chemical devices. Therefore, the present review addressed some articles on the electro oxidation of sulfite from the real samples with the use of various kinds of electro-chemical sensors.

Original Research Article
Methematical Chemistry
Süleyman Ediz; Idris Çiftçi; Ziyattin Taş; Murat Cancan; Mohammad Reza Farahani; Mehmet Serif Aldemir
Abstract
Topological indices are important tools for QSPR researches. Wiener, Zagreb, and Randić indices are pioneers of topological indices as the most used topological indices in view of chemistry and chemical graph theory. These three topological indices have been used for modeling physical properties of ...
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Topological indices are important tools for QSPR researches. Wiener, Zagreb, and Randić indices are pioneers of topological indices as the most used topological indices in view of chemistry and chemical graph theory. These three topological indices have been used for modeling physical properties of octanes and other chemical molecules. We firstly define k-total distance degree notion, k-total Zagreb and k-total Randić indices in graph theory. We investigated the prediction power of 3-total Zagreb indices and 3-total Randić index by using some physical properties of octanes such as entropy, acentric factor, enthalpy of vaporizatian and standard enthalpy of vaporization. We showed that these 3-total distance degree based novel indices are possible tools for QSPR studies, which they give a reasonably good correlation greater than 0.92 for modeling acentric factor of octanes. We also showed that 3-total indices give a strong correlation with Wiener index and the second Zagreb index.
