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Chemical warfare agents (CWAs) are very toxic and dangerous to all forms of life. With the purpose of protecting environment and human health, it is essential to identify and eliminate these threats quickly and effectively. B38 nanocage as a sensor is rarely discussed therefore the detection of harmful CWAs (phosgene and thiophosgene) by using the B38 nanocage has been examined using density functional theory (DFT) parameters. Optimized geometries, adsorption energies, NCI, NBO, FMO and QTAIM studies have been used to analyze the interactions between CWAs and the B38 nanocage. The adsorption energy values indicate that CWAs are adsorbed on the B38 nanocage in a stable manner and the reaction is exothermic. The complex T-S@B38-B have the greatest conductivity, lowest stability and maximum sensitivity due to its narrow energy gap of 1.9648 eV while complex T-S@B38-6r, with the highest energy gap of 1.9988 eV is the most stable. The global reactivity parameters indicate that the complex T-S@B38-B has the highest electrophilicity index, the lowest chemical hardness and the highest chemical softness and resultantly leads to highest sensitivity. Van der Waals forces are present between the B38 nanocage and CWAs as shown by NCI and QTAIM studies. The formation of new energy level in PDOS of B38 results into the interaction of CWAs with the surface of B38. Nanocage sensing capacity is evaluated by measuring Eg value, sensitivity and recovery time of the complex. B38 has the highest sensitivity and shortest recovery time for T-S@B38-B and P-Cl@B38-B complex with 5.90 × 10−3 and 2.78259 × 10−12 s values which results the B38 nanocage is more effective sensor for detecting CWAs. Consequently, B38 nanocage is recommended as fine future sensor for the sensing of phosgene and thiophosgene. [ABSTRACT FROM AUTHOR]

Developing economical and high‐performing sensitizers is crucial in advancing dye‐sensitized solar cells (DSSCs) and optoelectronics. This research paper explores the potential of novel red light‐absorbing organic dyes based on Indolo[3,2‐b]carbazole (ICZ) as the donor applied in co‐sensitizer‐free DSSCs for breakthroughs in photovoltaic (PV) applications. DFT and TD‐DFT based computational methods were employed to calculate the conduction band levels, electron injection capabilities, and power conversion efficiency (PCE) of metal‐free organic dyes (ICZ1–ICZ9) having D‐A‐π‐A architecture. Comprehensive analyses included NBO, DOS, FMO, ICT, MEP, binding energy, and TDM analysis. Quantum chemical calculations of the structural, photochemical, and electrochemical properties, as well as the key parameters, reveals that all the designed dyes could be an excellent candidate for high‐efficiency DSSCs due the small energy gap (2.130–1.947 eV), longer wavelength absorption (759.47–520.63 nm), longer lifetimes (15.65–6.67 ns), a lower ΔGreg (0.29–0.14 eV), a significant dipole moment changes (31.489–16.195D), LHE (0.95‐0.46), the large qCT (0.962–0.689), small DCT (7.657, 4.897 Å), and VOC (1.13–0.86 eV). This quantum simulation showed that, when compared to reference D8, the photovoltaic dyes ICZ8, ICZ2, and ICZ7 are recognized as being eye‐catching. Furthermore, dye@(TiO2)9 cluster model results demonstrate promising prospects for enhancing the photovoltaic (PV) performance of ICZ1–ICZ9 dyes by electron injection and conduction band (CB) engineering. This study will help the experimentalists for developing ICZ‐based PVs as more efficient and sustainable energy solutions. [ABSTRACT FROM AUTHOR]

Developing highly effective nonlinear optical (NLO) materials is a cutting-edge field of study. The desirability of promising NLO materials for optoelectronic and electronic applications drove us to investigate the sulflower (C18S9) doped complexes for developing highly efficient NLO materials. A successful computational design technique for superhalogens (BeF3, MgF3, CaF3, CaCl3) doping is employed on sulflower, and eight stable isomers (BeF3@SF-5M, BeF3@SF-9M, MgF3@SF-5M, MgF3@SF-9M, CaF3@SF-5M, CaF3@SF-9M, CaCl3@ SF-5M, CaCl3@SF-9M) are proposed for NLO properties. DFT and TD-DFT simulations confirm the potential use of superhalogen-doped sulflower complexes for NLO response applications by evaluating NLO response properties, photophysical aspects, frontier molecular orbital (FMO), natural bond orbitals (NBO), non-covalent interaction (NCI), vertical ionization energies (VIE), interaction energies (Eint), molecular electrostatic potential (MEP) and density of state (DOS) analysis. The Eint (−28.37 to −53.86 kcal/mol) and VIE (7.0-7.4 eV) findings suggest that superhalogens-doped sulflower complexes are thermodynamically stable and show durable interaction among sulflower and doped superhalogens. Superhalogens doping on sulflower effectively shorten the energy gap from 4.46 eV (pure sulflower) to 4.17 eV in CaCl3@SF-5M isomer. Superhalogens doping causes a change in the dipole moment from 0 D of pure sulflower to 12.57 D in the CaCl3@SF-5M isomer. Proficient intermolecular charge transfers between sulflower and doped superhalogens were established by NCI and NBO analyses. UV-Vis investigation revealed that all superhalogen-doped sulflower complexes are adequately transparent in the near-infrared and visible wavelength ranges. Augmentation in polarizability value from 333.86 a.u.−569.98 a.u and in first hyperpolarizability from 0.00 a.u to 6.6 × 104 a.u. is achieved upon superhalogens doping. A striking NLO response (β0 = 6.6 × 104 a.u) is exhibited by CaCl3@SF-5M isomer. This report provides an efficient superhalogens doping technique for creating highly effective future NLO systems and recommends superhalogens-doped sulflower complexes as ideal entrants for future NLO applications. [ABSTRACT FROM AUTHOR]

People avoid going to the dentist due to fear and anxiety related to dental procedures. The study aimed to determine the estimated percentage of anxiety among individuals undergoing exodontia and the association between gender, previous dental experience, and dental anxiety. A descriptive cross-sectional study was conducted in the oral and maxillofacial surgery ward of Peshawar Dental College Hospital from March to May 2022. A non-probability consecutive sampling technique was used. All adult patients were taken in the survey. Medically compromised patients were not included in the study. The Modified Dental Anxiety Scale was used to assess the anxiety of dental patients. The Chisquare test was used to find an association between variables. Out of 120 respondents, 57(47.5%) were male and 63(52.5%) were female. Most of the respondents were in the age group of 18-29 (40%). The majority (42.5%) of patients had a past dental history of extractions and had rated previous dental experience on a scale of 1-3 (58.5%). MDAS score 1-5 (31.7%) and 6-10 (25%) was found frequently. 16.7% of patients reported experiencing high levels of dental anxiety. A significant Association of MDAS was found with gender p=.001 and previous dental experience p=.041. Gender and previous dental experience impact the anxiety levels of patients undergoing teeth extraction. [ABSTRACT FROM AUTHOR]

Educational research has postulated the learning styles variation from individual to individual. All the students do not have same learning style. Present study highlights the extent to which students' learning style preferences differ on the basis of gender. The study investigates students' learning style preferences in English at Intermediate level in district Poonch AJK, Pakistan. The study employs qualitative method. Data are collected through five point likert scale questionnaire. Data are analyzed by using SPSS software to see students' learning style preferences with respect to gender. The study arrives at the conclusion that 66.6% learning style preferences of the students of both genders are similar and 33.4% are dissimilar. The analysis reveals that students of both genders prefer to learn in friendly environment, by different techniques, by relating lesson with real life, when cultural knowledge is shared, learn the structure better by solving exercises, by discussion in pairs and groups, by doing or solving, when teachers respond politely, clarify concepts confidently when teachers encourage them and they cannot respond properly when teachers behave rude. Moreover, the study concludes that male students feel comfortable when lecture method is used, do not use cramming technique to score, do not feel fear of being scolded and prefer working with others in assignments and projects, while female students use cramming technique to score, feel fear of being scolded, do not prefer assignments or projects and prefer working alone. [ABSTRACT FROM AUTHOR]

Teacher- student interaction is an important element of education system. Strong teacher student relationship is essential for the development of academic process. Teachers' practices used in English classroom play a vital role in students' learning. The study investigated gender based teachers' practices in English at Intermediate level. The study employed qualitative approach. Data were collected through structured observation and analyzed by using SPSS software. The study revealed the fact that the teachers of both genders use practices in classrooms in order to make their teaching effective but male teachers use practices more as compared to female teachers. Less number of female teachers use practices in classroom to make their teaching effective. [ABSTRACT FROM AUTHOR]

Abstract Contemporary fiction has incorporated magical realism, which is seen as an aesthetic category with a literary entry into the epistemological insight that governs our outlook. It is the depiction of the real and magical worlds using true incidents, unreducible materials, contrasting ideas of time and space, as well as myths exclusive to a particular cultural group. This study applies Magical Realism Narration Techniques, described by W. B. Faris, to three short stories: i.e., "The Paper Menagerie", "The Literomancer" and "Good Hunting" by Ken Liu. The study examines how these strategies are used by Ken Liu to convey various themes in his short stories. According to research, W.B. Faris' framework for magical realism narration is useful for analyzing the genre. Prejudice and colonialism are common themes in Ken Liu's writing. Moreover, he tries to evoke magic out of cultural elements and traditional characters which provokes reader's interest in the rich culture of Chinese people and develops the stories interest. [ABSTRACT FROM AUTHOR]

Hydroxyurea (HU) and nitrosourea (NU) are well-known chemotherapeutic medications. Still, their efficiency is limited due to the possibility of their misuse and the emission of small quantities of unmetabolized drugs into the environment. Many side effects might occur from taking these drugs. Nanomaterials for drug detection are crucial in pharmaceutical research, especially in cancer therapy applications like HU and NU. This work aimed to examine the sensitivity of B24O24 nanocage for detecting HU and NU drugs by using density functional theory (DFT). We studied the interactions between HU/NU drugs and the B24O24 nanocage using optimized geometries, adsorption energies, FMO, NCI, NBO and QTAIM analyses by employing DFT and TD-DFT at the B3LYP-D3/6-31G(d,p) level of theory. Specifically, the adsorption energy estimates of −32.06kcal/mol for the NU@B24O24-1∗ complex and −28.79kcal/mol for the HU@B24O24-5 complex show that the HU/NU drugs are firmly adsorbed onto B24O24 and that the process is exothermic. Through NCI and QTAIM analyses, noncovalent interactions, mainly the van der Waals forces, have been observed between B24O24 and the HU/NU drugs. When HU/NU interacts with the surface of B24O24, new energy levels are formed in the B24O24 PDOS. After analyzing the Eg value, sensitivity and recovery time as indicators of the B24O24 nanocage sensing capability, it was found that the NU@B24O24-2∗ complex exhibited the best conductivity (3.94×1012S/m), fine sensitivity (4.74×10−1) and most minor stability due to its small energy gap value of 3.47eV. However, the most stable complex is HU@B24O24-3, which has an energy gap of 5.08eV. At a value of 1.0901×10−9s, the complex NU@B24O24-4∗ has the quickest recovery time. As a result of its rapid recovery time, the B24O24 nanocage is highly desirable for its potential application as an HU/NU drug sensor. This proves that HU/NU drugs can be effectively detected by the B24O24 nanocage. Our results suggest that the B24O24 nanocage has the potential to improve drug detection (HU/NU), suggesting potential avenues for further progress. [ABSTRACT FROM AUTHOR]