Radiolabeling and preclinical animal model evaluation of DTPA coupled 99mTc-labelled flutamide complex ([99mTc]DTPA-FLUT) as a potential radiotracer for cancer imaging.

BACKGROUND: Advances in molecular imaging strategies have had an effect on precise diagnosis and treatment. Research has been intensified to develop more effective and versatile radiopharmaceuticals to uplift diagnostic efficiency and, consequently, the treatment. PURPOSE: To label the flutamide (FLUT) coupled with diethylenetriamine pentaacetate (DTPA) with technetium-99 m (99mTc) and to evaluate its binding efficiency with rhabdomyosarcoma (RMS) cancer cells. MATERIAL AND METHODS: Radiolabeling of FLUT with 185 MBq freshly eluted 99mTcO4-1 was carried out via DTPA bifunctional chelating agent using stannous chloride reducing agent at pH 5. The labeled compound was assessed for its purity using chromatography analysis, stability in saline and blood serum, AND charge using paper electrophoresis. Normal biodistribution was studied using a mouse model, while binding affinity with RMS cancer cells was studied using an internalization assay. The in vivo accumulation of RMS cancer cells in a rabbit model was monitored using a SPECT gamma camera. RESULTS: Radiolabeling reaction displayed a pharmaceutical yield of 97% and a stability assay showed >95% intact radiopharmaceutical up to 6 h in saline and blood serum. In vitro internalization studies showed the potential of [99mTc]DTPA-FLUT to enter into cancer cells. This biodistribution study showed rapid blood clearance and minimum uptake by body organs, and scintigraphy displayed the [99mTc]DTPA-FLUT uptake by lesion, induced by RMS cancer cell lines in rabbit. CONCLUSION: Stable, newly developed [99mTc]DTPA-FLUT seeks its way to internalize into RMS cancer cells, indicating it could be a potential candidate for the diagnosis of RMS cancer.

Ab Initio Calculations of the Interaction Potential of the N2O-N2O Dimer: Strength of the Intermolecular Interactions and Physical Insights.

N2O, or nitrous oxide, is an important greenhouse gas with a significant impact on global warming and climate change. To accurately model the behavior of N2O in the atmosphere, precise representations of its intermolecular force fields are required. First principles quantum mechanical calculations followed by appropriate fitting are commonly used to establish such force fields. However, fitting such force fields is challenging due to the complex mathematical functions that describe the molecular interactions of N2O. As such, ongoing research is focused on improving our understanding of N2O and developing more accurate models for use in climate modeling and other applications. In this study, we investigated the strength of the intermolecular interactions in the N2O-N2O dimer using the coupled-cluster theory with single, double, and perturbative triple excitation [CCSD(T)] method with the def2-QZVPP basis set. Our calculations provided a detailed understanding of the intermolecular forces that govern the stability and structure of the N2O dimer. We found that the N2O-N2O dimer is stabilized by a combination of van der Waals forces and dipole-dipole interactions. The calculated interaction energy between the two N2O molecules in the dimer was found to be -5.09 kcal/mol, which is in good agreement with previous theoretical and experimental results. Additionally, we analyzed the molecular properties of the N2O-N2O dimer, including its geometry and charge distribution. Our calculations provide a comprehensive understanding of the intermolecular interactions in the N2O-N2O dimer using the CCSD(T) method with the def2-QZVPP basis set by using the improved Lennard-Jones interaction potential method. These results can be used to improve our understanding of atmospheric chemistry and climate modeling, as well as to aid in the interpretation of experimental data.

Exploring the Adsorption Mechanism of N2O on Graphene: A DFT Study on Circum-Coronene for Catalysis, Sensing, and Energy Storage Applications.

We have investigated the adsorption potential of N2O (nitrous oxide) over graphene. To do this, we utilized various methods and techniques to calculate the potential of N2O over the graphene surface. We performed density functional theory (DFT) calculations for different conformations of N2O on the graphene surface, including parallel, N-up, and O-up and random (∼1000) orientations. We used different force field methods (significantly Improved Lennard-Jones potential) to obtain the best interaction potential that could accurately describe the N2O-graphene adsorption. This involves evaluating the system's potential energy as a function of distance and orientation between the N2O molecule and the graphene surface. By comparing the results of different potential methods, we aimed to identify the most appropriate one that could best describe the adsorption behavior of N2O on graphene. The ultimate goal of the study was to gain insights into the fundamental mechanisms and energetics of N2O adsorption on graphene, which could be useful for a wide range of applications in areas such as catalysis, sensing, and energy storage.

A Survey of Symbiotic Radio: Methodologies, Applications, and Future Directions.

The sixth generation (6G) wireless technology aims to achieve global connectivity with environmentally sustainable networks to improve the overall quality of life. The driving force behind these networks is the rapid evolution of the Internet of Things (IoT), which has led to a proliferation of wireless applications across various domains through the massive deployment of IoT devices. The major challenge is to support these devices with limited radio spectrum and energy-efficient communication. Symbiotic radio (SRad) technology is a promising solution that enables cooperative resource-sharing among radio systems through symbiotic relationships. By fostering mutualistic and competitive resource sharing, SRad technology enables the achievement of both common and individual objectives among the different systems. It is a cutting-edge approach that allows for the creation of new paradigms and efficient resource sharing and management. In this article, we present a detailed survey of SRad with the goal of offering valuable insights for future research and applications. To achieve this, we delve into the fundamental concepts of SRad technology, including radio symbiosis and its symbiotic relationships for coexistence and resource sharing among radio systems. We then review the state-of-the-art methodologies in-depth and introduce potential applications. Finally, we identify and discuss the open challenges and future research directions in this field.

Estimation of some heavy metals contamination in waste newspapers.

Heavy metals in waste newspapers produce varying degrees of contamination concerns during food consumption, and when heavy metals levels exceed the permissible level, they become harmful to human. Different types of waste newspapers were analyzed for As, Cd, Cr, Ni, Pb, Al, and Zn by ICP-OES. The digestion solution included 10 ml of 69% nitric acid and 2 ml of 30% hydrogen peroxide. Based on the results for light fonts, the average content of As, Cd, Cr, Ni, and Pb was 2.8, 1.5, 6.9, 5.6, and 5.0 µg/l, while was 3.4 and 0.18 mg/l for Al, and Zn, respectively. In bold fonts, the content of As, Cd, Cr, Ni, and Pb was 4.9, 2.4, 9.1, 7.9, and 7.0 µg/l, respectively, while Al and Zn were 5.7 mg/l and 0.32 mg/l, respectively. In the pictures, the levels of As, Cd, Cr, Ni, and Pb were 6.1, 2.99, 11.2, 9.4, and 8.99 µg/l, while Al and Zn were 8.2 and 0.39 mg/l, respectively. The results showed that all levels of heavy metals under study were within the specialized global councils' permitted limits.

Perceptions of faculty on promotion policy in medical and dental colleges associated with Shaheed Zulfiqar Ali Bhutto Medical University Islamabad, Pakistan.

OBJECTIVE: To explore the perceptions of medical and dental faculty regarding the existing promotion criterion and develop a proposed alternative criterion. METHODS: The qualitative exploratory study was conducted from November 2019 to May 2020 at Shaheed Zulfiqar Ali Bhutto Medical University, Islamabad, Pakistan, after approval from the Islamic International Medical College which is affiliated with Riphah International University, Rawalpindi, Pakistan. It comprised focus group discussions involving experts from two medical and dental colleges from both private and public sectors. Data was analysed manually to develop codes, subthemes and themes. RESULTS: Of the 24 participants, 12(50%) participated in each of the two focus groups discussions. Each discussion included 1(8.3%) principal, 2(16.7%) professors, 1(8.3%) associate professor, 2(16.7%) assistant professors and 1(8.3%) senior lecturer from basic sciences, and 1(8.3%) professor, 1(8.3%) associate professor and 1(8.3%) assistant professor from the clinical side as well as 1(8.3%) final year student each from the medical and dental streams. All 24(100%) believed that the current promotion criteria was unrealistic, inconsistent and biased, and lacked justified faculty evaluation; 19(80%) agreed on strengthening the role of research in promotion; 3(12.5%) highlighted lack of opportunities for post-graduation, and 18(75%) were in favour of introducing faculty e-portfolio. Collectively, they suggested that in order to make the criteria dependable, it should include comprehensive teacher assessment with mandatory continuing professional development activities, by standardising research work, and through introducing robust faculty promotion policy and guidelines. CONCLUSIONS: Faculty opinions outlining the gaps in the existing promotion criteria of medical and dental colleges associated with a specific medical university in Pakistan carries critical value as they proposed a modified criteria contextual to the needs of the faculty.

Primary defect of ileal mesentery presenting as internal herniation and strangulation of the small bowel: Case report.

Primary internal hernia is a rare entity of acute intestinal obstruction. Delay in diagnosis and surgical intervention can cause ischaemia or gangrene of the small bowel and result in high morbidity and mortality. A 14-year-old boy presented to the emergency department with acute intestinal obstruction. On exploration, 3-4cm mesenteric defect was noted in the ileal region. Strangulated loops of the small bowel had gone through the mesenteric defect in a complicated way. Primary anastomosis was done after resection of the gangrenous small bowel.

How Does Bridging Core Modification Alter the Photovoltaic Characteristics of Triphenylamine-Based Hole Transport Materials? Theoretical Understanding and Prediction.

Perovskite solar cells have gained immense interest from researchers owing to their good photophysical properties, low-cost production, and high power conversion efficiencies. Hole transport materials (HTMs) play a dominant role in enhancing the power conversion efficiencies (PCEs) and long diffusion length of holes and electrons in perovskite solar cells. In hole transport materials, modification of π-linkers has proved to be an efficient approach for enhancing the overall PCE of perovskite solar cells. In this work, π-linker modification of a recently synthesized H-Bi molecule (R) is achieved with novel π-linkers. After structural modifications, ten novel HTMs (HB1-HB10) with a D-π-D backbone are obtained. The structure-property relationship, and optoelectronic and photovoltaic characteristics of these newly designed hole transport materials are examined comprehensively and compared with reference molecules. In addition, different geometric parameters are also examined with the assistance of density functional theory (DFT) and time-dependent DFT. All the designed molecules exhibit narrow HOMO-LUMO energy gaps (Eg =2.82-2.99 eV) compared with the R molecule (Eg =3.05 eV). The designed molecules express redshifting in their absorption spectra with low values of excitation energy, which in return offer high power conversion efficiencies. Further, density of states and molecular electrostatic potential analysis is performed to locate the different charge sites in the molecules. The reorganizational energies of holes and electrons are found to have good values, suggesting that these novel designed molecules are efficient hole transport materials for perovskite solar cells. In addition, the low binding energy values of the designed molecules (compared with R) offer high current charge density. Finally, complex study of HB9:PC61 BM is also undertaken to understand the charge transfer between the molecules of the complex. The results of all analyses advocate that these novel designed HTMs are promising candidates for the construction of future high-performance perovskite solar cells.

Prediction and Understanding: Quantum Chemical Framework of Transition Metals Enclosed in a B12N12 Inorganic Nanocluster for Adsorption and Removal of DDT from the Environment.

Emission of harmful pollutants from different sources into the environment is a major problem nowadays. Organochlorine pesticides such as DDT (C14H9Cl5) are toxic, bio-accumulative, and regularly seen in water bodies, air, biota, and sediments. Various systems can be considered for minimizing the DDT (dichloro-diphenyl-trichloroethane) pollution. However, due to simplicity and acceptability, the adsorption method is the most popular method. Adsorption is gradually employed for the removal of both organic and inorganic pollutants found in soil and water. Thus, in this regard, efforts are being made to design inorganic nanoclusters (B12N12) encapsulated with late transition metals (Zn, Cu, Ni, Co, and Fe) for effective adsorption of DDT. In this context, detailed thermodynamics and quantum chemical study of all the designed systems have been carried out with the aid of density functional theory. The adsorption energy of DDT on metals cocooned in a nanocluster is found to be higher, and better adsorption energy values as compared to that of the pristine B12N12-DDT nanocluster have been reported. Further, analysis of the dipole moment, frontier molecular orbitals, molecular electrostatic potential plots, energy band gap, QNBO, and Fermi level suggested that the late-transition-metal-encapsulated inorganic B12N12 nanoclusters are efficient candidates for effective DDT adsorption. Lastly, the study of global descriptors of reactivity confirmed that the designed quantum mechanical systems are quite stable in nature with a good electrophilic index. Therefore, the recommendation has been made for these novel kinds of systems to deal with the development of DDT sensors.

Theoretical Framework for Encapsulation of Inorganic B12N12 Nanoclusters with Alkaline Earth Metals for Efficient Hydrogen Adsorption: A Step Forward toward Hydrogen Storage Materials.

The increasing demand for energy storage materials has gained considerable attention of scientific community toward the development of hydrogen storage materials. Hydrogen has become more important, as it not only works efficiently in different processes but is also used as an alternative energy resource whenever it is combined with a cell technology like fuel cell. Herein, efforts are being made to develop efficient hydrogen storage materials based on alkaline earth metal (beryllium, magnesium, and calcium)-encapsulated B12N12 nanocages. Quantum chemical calculations were performed using density functional theory (DFT) and time-dependent DFT at B3LYP/6-31G(d,p) and CAM-B3LYP/6-311+G(d,p) levels of theory for all the studied systems. The adsorption energies of Be-B12N12, Mg-B12N12, and Ca-B12N12 systems suggested that Mg and Ca are not fitted accurately in the cavity of nanocages because of their large size. However, H2 adsorbed efficiently on the metal-encapsulated systems with high adsorption energy values. Furthermore, dipole moment and QNBO (Charges-Natural Bond Orbital) calculations suggested that a greater charge separation is seen in H2-adsorbed metal-encapsulated systems. The molecular electrostatic potential analysis also unveiled the different charge sites in the studied systems and also demonstrated the charge separation upon hydrogen adsorption on metal-encapsulated systems. Partial density of states analysis was performed in the support of frontier molecular orbital distribution that indicates the narrow highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap in hydrogen-adsorbed metal-encapsulated systems. Results of all analyses and global descriptions of reactivity suggested that the designed H2-adsorbed metal-encapsulated B12N12 systems are efficient systems for designing future hydrogen storage materials. Thus, these novel kinds of systems for efficient hydrogen storage purposes have been recommended.

Putative Digenic GJB2/MYO7A Inheritance of Hearing Loss Detected in a Patient with 48,XXYY Klinefelter Syndrome.

OBJECTIVES: Nonsyndromic hearing loss (NSHL) is the most frequent type of hereditary hearing impairment. Here, we explored the underlying genetic cause of NSHL in a three-generation family using whole-exome sequencing. The proband had concomitant NSHL and rare 48,XXYY Klinefelter syndrome. MATERIAL AND METHODS: Genomic DNA was extracted from the peripheral blood of the proband and their family members. Sanger sequencing and pedigree verification were performed on the pathogenic variants filtered by whole-exome sequencing. The function of the variants was analyzed using bioinformatics software. RESULTS: The proband was digenic heterozygous for p.V37I in the GJB2 gene and p.L347I in the MYO7A gene. The proband's mother had normal hearing and did not have any variant. The proband's father and uncle both had NSHL and were compound for the GJB2 p.V37I and MYO7A p.L347I variants, thus indicating a possible GJB2/MYO7A digenic inheritance of NSHL. 48,XXYY Klinefelter syndrome was discovered in the proband after the karyotype analysis, while his parents both had normal karyotypes. CONCLUSIONS: Our findings reported a putative GJB2/MYO7A digenic inheritance form of hearing loss, expanding the genotype and phenotype spectrum of NSHL. In addition, this is the first report of concomitant NSHL and 48,XXYY syndrome.

Congenital Scoliosis of the Pediatric Cervical Spine: Characterization of a 17-Patient Operative Cohort.

BACKGROUND: Congenital cervical scoliosis is rare, and there is a paucity of literature describing surgical outcomes. We report surgical outcomes in a 17-patient cohort with surgical correction for congenital cervical scoliosis and identify risk factors associated with complications. METHODS: Data were retrospectively collected from a single-center cohort of 17 consecutive patients (9 boys, 8 girls) receiving surgical deformity correction for congenital cervical scoliosis. The mean age at surgery was 7.1±3.4 years with an average follow-up of 3.6±1.1 years. RESULTS: There were 24 operations performed on 17 patients, and 4 complications (17%) were reported in the series, including one each of pressure ulcer, asystole, vertebral artery injury, and pseudarthrosis. The mean preoperative major curve angle was 36±20 degrees, which improved to 24±14 degrees (P=0.02). The mean operative time was 8±2 hours with a mean estimated blood loss of 298±690 mL. Halo-gravity traction was used in 5 patients and 6 cases were staged with anterior/posterior procedures. CONCLUSIONS: Congenital scoliosis of the cervical spine is a complex process. The spinal deformity of this nature can be managed successfully with carefully planned and executed surgical correction. LEVEL OF EVIDENCE: Level IV-retrospective review.

Identification of two novel mutations in three Chinese families with Kallmann syndrome using whole exome sequencing.

Kallmann syndrome (KS) is a rare developmental disorder that manifests as congenital hypogonadotropic hypogonadism with anosmia. More than 19 genes have been found to be associated with KS. However, approximately 70% of the causes of KS remain unclear. Here, we studied seven KS patients, from three families, who had delayed puberty and olfactory bulb dysplasia. However, the families of these patients showed a range of other unique clinical features, including hearing loss, anosmia (to varying degrees) and unilateral renal agenesis. We performed whole exome sequencing and copy number variation (CNV) sequencing on samples acquired from these patients. We identified two novel mutations (c.844delC in ANOS1, c.475C>T in SOX10) and a novel trigenic pattern, PROKR2/CHD7/FEZF1 (c.337T>C in PROKR2, c.748C>G in FEZF1, c.8773G>A in CHD7). The c.844delC mutation in the ANOS1 gene was predicted to generate a truncated form of the anosmin-1 protein. SIFT and PolyPhen-2 predicted that the c.475C>T mutation in SOX10 had a damaging effect. The PROKR2 mutation (c.337T>C) was previously reported as harmful. No pathogenic copy number alterations were detected. Our study expands the genotypic and phenotypic spectrum of KS, a disease that shows considerable clinical and genetic heterogeneity. The application of whole exome sequencing could facilitate our understanding of the pathogenesis of KS.

Use of a Checklist for the Postanesthesia Care Unit Patient Handoff.

PURPOSE: This quality improvement project aimed to evaluate the benefits of implementing a checklist in the postanesthesia care unit (PACU) setting to decrease the omission of health information during the handoff from anesthesia to PACU nurses. DESIGN: Patient handoffs from anesthesia providers were anonymously assessed by PACU nurses before and after the implementation of a handoff checklist with the Situation, Background, Assessment, Recommendation format. METHODS: PACU nurses recorded use of the handoff checklist and if five items of health information were included in the handoff during the preintervention and postintervention phase. FINDINGS: Checklist use increased from 0% to 73% with omitted information decreasing with checklist use: procedure from 19% to 2%, allergies 23% to 4%, input and output 16% to 0%, antiemetic used 21% to 4%, and lines 19% to 11%. Completed handoffs increased from 13% to 82% whereas checklist use remained high, at over 79%, for the 12 weeks after implementation. CONCLUSIONS: The project was successful in implementing a standardized checklist and echoed the success of the articles reviewed. The use of a PACU handoff checklist can improve transfer of care by ensuring the provider receives more pertinent medical information during these transfers.

Photocatalytic degradation of reactive black 5 on the surface of tin oxide microrods.

A simple co-precipitation technique is proposed for synthesis of tin oxide (SnO2) microrods. Stannous chloride and urea were used during synthesis. X-ray powder diffraction (XRD) analysis revealed that the annealed product consists of SnO2 microrods having tetragonal unit cells, while scanning electron microscopy (SEM) analysis revealed the rod-like morphology of a synthesized product. These synthesized microrods are used as photocatalyst for the degradation of reactive black 5 (RB5). Degradation kinetics of RB5 are monitored under daylight in different concentrations of hydrogen peroxide (H2O2) and catalyst. The percentage of RB5 conversion is also calculated at various concentrations of hydrogen peroxide and catalyst which demonstrate that RB5 shows high catalytic degradation at high concentrations of hydrogen peroxide and catalyst.

Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.

A chemical cosubstitution strategy was implemented to design potential ultraviolet (UV) and deep-UV nonlinear optical (NLO) materials. Taking the classic ß-BaB2O4 as a maternal structure, by simultaneously replacing the Ba2+ and [B3O6]3- units with monovalant (K+), divalent (alkaline earth metal), trivalent (rare-earth metal, Bi3+) ions, and the [B5O10]5- clusters through two different practical routes, 12 new mixed-metal noncentrosymmetric borates K7MIIRE2(B5O10)3 (MII = Ca, Sr, Ba, K/RE0.5; RE = Y, Lu, Gd) as well as K7MIIBi2(B5O10)3 (MII = Pb, Sr) were successfully designed and synthesized as high-quality single crystals. The selected K7CaY2(B5O10)3, K7SrY2(B5O10)3, and K7BaY2(B5O10)3 compounds were subjected to experimental and theoretical characterizations. They all exhibit suitable second-harmonic generation (SHG) responses, as large as that of commercial KH2PO4 (KDP), and also exhibit short UV cutoff edges. These results confirm the feasibility of this chemical cosubstitution strategy to design NLO materials and that the three selected crystals may have potential application as UV NLO materials.

The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5]2·H2O: a theoretical perspective.

In this work, a potential semiorganic nonlinear optical candidate NH4B[D-(+)-(C4H4O5)]2·H2O (NBC) has been studied using Density Functional Theory. The origin of the second harmonic generation (SHG) effect of NBC crystals for the NH4B[D-(+)-(C4H4O5)]2·H2O molecular complex is explained by employing a combination of the density of states, SHG density and molecular orbital analysis. It reveals a way in which the organic and ammonium groups affect the SHG processes in a significantly different manner in the crystals and the molecular complex. In particular, the role of hydrogen bonding interaction in influencing the electronic structure and nonlinear optical properties is explicitly identified and explained.

Electronic absorption spectra and nonlinear optical properties of ruthenium acetylide complexes: a DFT study toward the designing of new high NLO response compounds.

In this study we have used density functional theory (DFT) to calculate nonlinear optical properties and simulate the UV-VIS absorption spectra of ruthenium acetylide complexes.Among the studied systems, system 4 has shown highest non-linear optical properties (a = 72.92 × 10(-24)esu and b = 76.32 × 10(-30)esu).New compounds have been theoretically designed by the extension of conjugation length and substitution of electron withdrawing atom/groups as acceptor on system 4. All designed compounds show intense band due to metal-to-ligand charge transfer (MLCT).Second-order polarizabilityof new design compounds was remarkablyhigh as compared to system 4 (123.35 × 10(-30)to 360.23 × 10(-30)esu). Effect of acceptors was more prominent than pi-spacers. Results of theoretical investigation indicate that all systems should be excellent non-linear optical materials.

Antioxidant and antibacterial activities of Hibiscus Rosa-sinensis Linn flower extracts.

Antioxidant and antibacterial potential of different solvent extracts of locally grown Hibiscus rosa-sinensis Linn was evaluated. The antioxidant activity was assessed by estimation of total flavonoids contents, total phenolic contents, DPPH free radical scavenging activity and percentage inhibition of linoleic acid oxidation capacity. Agar disc diffusion method was used to assess antibacterial potential of crude extract of H. rosa-sinensis. The yield of the crude extracts (23.21 ± 3.67 and 18.36 ± 2.98% in 80% methanol and ethanol solvents was calculated, respectively. Methanol and ethanol extract of H. rosa-sinensis showed total phenolics 61.45 ± 3.23 and 59.31 ± 4.31 mg/100g as gallic acid equivalent, total flavonoids 53.28 ± 1.93 and 32.25±1.21 mg/100g as catechine equivalent, DPPH free radical scavenging activity 75.46±4.67 and 64.98 ± 2.11% and inhibition of linoleic acid oxidation potential 75.8 ±3.22 and 61.6 ± 2.01% respectively, was measured. Antibacterial study against three human pathogens such as staphlococus sp. Bacillus sp. and Escherichia coli showed growth inhibitory effect in the range of 12.75 ± 1.17 to 16.75 ± 2.10 mm. These results showed H. rosa-sinensis indigenous to Kallar Kahar and its allied areas bear promising medicinal values and could be used for developing herbal medicines to target oxidative stress and infectious diseases.