Robust and facile detection of formaldehyde through transition metals doped olympicene sensors: a step forward DFT investigation.

Formaldehyde, a volatile organic compound (VOC) released by building and decoration materials, has many applications in the chemical feedstock industry. Excessive release of formaldehyde can cause serious health issues, such as chest tightness, cough, cancer, and tissue damage. Therefore, detection of formaldehyde is required. Herein transition metal (Fe, Ni, and Pd) doped olympicene is evaluated as a gas sensor for the detection of formaldehyde. The performance of the designed electrochemical sensor is evaluated through interaction energy, natural bond orbital (NBO) non-covalent interaction (NCI), electron density differences (EDD), electrostatic potential (ESP), quantum theory of atom in molecule (QTAIM), frontier molecular orbital (FMO), and density of states (DOS) analysis. Interaction energies obtained at B3LYP-D3/def-2 TZVP level of theory shows that formaldehyde is physiosorbed over the surface of transition metal doped olympicene. The trend for interaction energy is OLY(Ni)/HCHO > OLY(Fe)/HCHO > OLY(Pd)/HCHO. The presence of non-covalent interactions is confirmed by the QTAIM and NCI analyses, while transfer of charges is confirmed by natural bond orbital analysis. The reduced density gradient (RDG) approach using noncovalent interaction (NCI) analysis demonstrates that electrostatic hydrogen bonding interactions prevail in the complexes. Recovery time is calculated to check the reusability of the sensor. This study may provide a deep insight for the designing of highly efficient electrochemical sensor against formaldehyde with transition metals doped on olympicene.

Brain Tumor Segmentation from MRI Images Using Handcrafted Convolutional Neural Network.

Brain tumor segmentation from magnetic resonance imaging (MRI) scans is critical for the diagnosis, treatment planning, and monitoring of therapeutic outcomes. Thus, this research introduces a novel hybrid approach that combines handcrafted features with convolutional neural networks (CNNs) to enhance the performance of brain tumor segmentation. In this study, handcrafted features were extracted from MRI scans that included intensity-based, texture-based, and shape-based features. In parallel, a unique CNN architecture was developed and trained to detect the features from the data automatically. The proposed hybrid method was combined with the handcrafted features and the features identified by CNN in different pathways to a new CNN. In this study, the Brain Tumor Segmentation (BraTS) challenge dataset was used to measure the performance using a variety of assessment measures, for instance, segmentation accuracy, dice score, sensitivity, and specificity. The achieved results showed that our proposed approach outperformed the traditional handcrafted feature-based and individual CNN-based methods used for brain tumor segmentation. In addition, the incorporation of handcrafted features enhanced the performance of CNN, yielding a more robust and generalizable solution. This research has significant potential for real-world clinical applications where precise and efficient brain tumor segmentation is essential. Future research directions include investigating alternative feature fusion techniques and incorporating additional imaging modalities to further improve the proposed method's performance.

Transition Metal Sensing with Nitrogenated Holey Graphene: A First-Principles Investigation.

The toxicity of transition metals, including copper(II), manganese(II), iron(II), zinc(II), hexavalent chromium, and cobalt(II), at elevated concentrations presents a significant threat to living organisms. Thus, the development of efficient sensors capable of detecting these metals is of utmost importance. This study explores the utilization of two-dimensional nitrogenated holey graphene (C2N) nanosheet as a sensor for toxic transition metals. The C2N nanosheet's periodic shape and standard pore size render it well suited for adsorbing transition metals. The interaction energies between transition metals and C2N nanosheets were calculated in both gas and solvent phases and were found to primarily result from physisorption, except for manganese and iron which exhibited chemisorption. To assess the interactions, we employed NCI, SAPT0, and QTAIM analyses, as well as FMO and NBO analysis, to examine the electronic properties of the TM@C2N system. Our results indicated that the adsorption of copper and chromium significantly reduced the HOMO-LUMO energy gap of C2N and significantly increased its electrical conductivity, confirming the high sensitivity of C2N towards copper and chromium. The sensitivity test further confirmed the superior sensitivity and selectivity of C2N towards copper. These findings offer valuable insight into the design and development of sensors for the detection of toxic transition metals.

Emergency esophagectomy: Experience of a high volume esophageal cancer center.

Objective: The objective of the study was to review the experience of dealing oncological emergency esophagectomies at a dedicated Cancer hospital. Methods: We performed a retrospective review of data of eleven esophagectomies at the Department of Surgical Oncology, Shaukat Khanum Memorial Cancer Hospital and Research Centre, Lahore (SKMCH&RC) Pakistan, from 1st January, 2009 to 30th June, 2019. Out of 590 oncological esophagectomies, eleven patients had emergency resection. We collected the data of demographics, primary disease, comorbidities, location of tumor and perforation, cause of perforations, radiological and endoscopic findings, clinical findings and follow-up visits after discharge. Data was analyzed by SPSS version 21 for windows. Result: All 11 patients out of five hunded ninety had esophageal cancer. At the time of initial staging, eight (72%) had locally advanced stage (stage III and IV). Open transhiatal approach was used in six (55%) patients, and the rest had three stage esophagectomies. Primary reconstructions with gastric conduit were performed in all, except in two (18%) patients, Respiratory complications were the most common of the encountered complications, seven (63%) of the patients had palliative resection. Ninety day mortality was observed in 3(27.3%) patients. On long term follow up, six patients had recurrence, with median Disease-Free Survival (DFS) 5.88 months and Median Overall Survival (OS) was 6.37 months. Out of 11, only three patients are alive without disease, while one patient is lost during follow-up. Conclusion: Emergency esophagectomy is a lifesaving procedure; there should be multidisciplinary team approach towards the management. Early diagnosis and management is of paramount importance.

Phytotoxic responses of wheat to an imidazolium based ionic liquid in absence and presence of biochar.

Research on ionic liquids (ILs) and biochars (BCs) is a novel site of scientific interest. An experiment was designed to assess the effect of 1-propanenitrile imidazolium trifluoro methane sulfonate ([C2NIM][CF3SO3]) ionic liquid (IL) and IL-BC combination on the wheat plant. Three working standards of the IL; 50, 250, 500 and 1000 mg/L, prepared in deionized water, were tested in the absence and presence of BC on wheat seedling. Results indicated significant decrease in seed germination (%), length, fresh weight, chlorophyll a, b and carotenoid contents of wheat seedlings at 250, 500 and 1000 mg/L of the IL. An admirable increase in phenolic and 2,2-diphenyl-1-picrylhydrazyl (DPPH) contents of wheat seedlings was noted at 250, 500 and 1000 mg/L of the IL. The application of BC significantly ameliorated the negative effects of IL on the selected parameters of wheat. It is inferred that the undesirable effects of the IL on wheat growth can be positively restored by addition of BC.

Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene: A DFT and CCSD(T) Investigation.

Olympicene C19H12, an organic semiconductor, is investigated as an adsorption material for toxic industrial gas molecules such as CH4, CO2, and CO. A deep insight of complexation of CH4, CO2, and CO with olympicene (analyte@OLY) was obtained by interaction energy, symmetry-adopted perturbation theory (SAPT2+), quantum theory of atoms in molecules (QTAIM), density of states (DOS), noncovalent interaction (NCI), and frontier molecular orbital and natural bond orbital analysis. Domain-based local pair natural orbital coupled cluster theory single-point energy calculations were performed using the cc-pVTZ basis set in combination with corresponding auxiliary cc-pVTZ/JK and cc-pVTZ/C basis sets. For all property calculations of doped olympicene complexes, the ωB97M-V functional was employed. The stability trend for interaction energies is CO2@OLY > CH4@OLY > CO@OLY. QTAIM and NCI analysis confirmed the presence of NCIs, where the dispersion factor (in CH4@OLY) has the highest contribution, as revealed from SAPT2+. The chemical sensitivity of the system was evidenced by the origination of new energy states in DOS spectra. The recovery time for the analyte@OLY complex was calculated at 300 K, and an excellent recovery response was observed. All results evidently indicated weak interactions of the olympicene surface with CH4, CO2, and CO.

Deep GRU-CNN Model for COVID-19 Detection From Chest X-Rays Data.

In the current era, data is growing exponentially due to advancements in smart devices. Data scientists apply a variety of learning-based techniques to identify underlying patterns in the medical data to address various health-related issues. In this context, automated disease detection has now become a central concern in medical science. Such approaches can reduce the mortality rate through accurate and timely diagnosis. COVID-19 is a modern virus that has spread all over the world and is affecting millions of people. Many countries are facing a shortage of testing kits, vaccines, and other resources due to significant and rapid growth in cases. In order to accelerate the testing process, scientists around the world have sought to create novel methods for the detection of the virus. In this paper, we propose a hybrid deep learning model based on a convolutional neural network (CNN) and gated recurrent unit (GRU) to detect the viral disease from chest X-rays (CXRs). In the proposed model, a CNN is used to extract features, and a GRU is used as a classifier. The model has been trained on 424 CXR images with 3 classes (COVID-19, Pneumonia, and Normal). The proposed model achieves encouraging results of 0.96, 0.96, and 0.95 in terms of precision, recall, and f1-score, respectively. These findings indicate how deep learning can significantly contribute to the early detection of COVID-19 in patients through the analysis of X-ray scans. Such indications can pave the way to mitigate the impact of the disease. We believe that this model can be an effective tool for medical practitioners for early diagnosis.

Mulching impact of Jatropha curcas L. leaves on soil fertility and yield of wheat under water stress.

In present studies we have evaluated mulching impact of Jatropha curcas leaves on soil health and yield of two wheat (Triticum aestivum L.) varieties Wadan-2017 (rainfed) and Pirsabak-2013 (irrigated) under imposed water stress. Mulch of Jatropha leaves was spread on the soil surface at the rate of 0, 1, 3 and 5 Mg ha-1 after seed germination of wheat. Water stress was imposed by skipping irrigations for one month at anthesis stage of wheat maintaining 40% soil field capacity. We found a significant decline in soil microbial biomass carbon (30.27%), total nitrogen (22.28%) and organic matter content (21.73%) due to imposed water stress in non-mulch plots. However, mulch application at 5 Mg ha-1 significantly improved soil organic matter (38.18%), total nitrogen (37.75%), phenolics content (16.95 mg gallic acid equivalents/g) and soil microbial biomass carbon (26.66%) as compared to non-mulch control. Soil health indicators like soil carbonates, bicarbonates, electrical conductivity, chloride ions and total dissolved salts were decreased by 5 Mg ha-1 mulch application. We noted a decline in yield indicators like spike weight (14.74%), grain spike-1 (7.02%), grain length (3.79%), grain width (3.16%), 1000 grains weight (6.10%), Awn length (9.21%), straw weight (23.53%) and total grain yield (5.98%) of wheat due to imposed water stress. Reduction in yield traits of wheat due to water stress was higher in Pirsabak-2013 than Wadan-2017. Jatropha leaves mulch application at 5 Mg ha-1 significantly minimized the loss in yield traits of wheat crop caused by water stress. Jatropha curcas leaves mulch application at 5 Mg ha-1 is recommended for the successful establishment of wheat crop under water deficit conditions.

Inclusive DFT insight into sensing mechanism of cyclotetrapyrole towards lung irritants.

The development of smart sensing devices for toxic analytes detection especially lung irritants is much essential. The cyclic conducting polymers having infinite π-conjugation are proved to be highly sensitive for toxic analytes. Herein, by using the DFT approach, we investigated the sensing mechanism of cyclotetrapyrole (CTPy) for accurate detection of phosgene, diphosgene, chloropicrin and chlorine at the B3LYP-D3/6-31 + G (d, p) level. The calculated interaction energies show the physisorption of analytes over the CTPy surface. Natural bond orbital (NBO) and charge decomposition (CDA) analyses predict charge transfer interactions in the complexes. The reduced density gradient (RDG) approach reveals that hydrogen bonding interactions dominate in the complexes. The sensitivity of CTPy towards lung irritants is further illustrated by the reduction in HOMO-LUMO energy gaps, red shifting of [Formula: see text] in UV-Visible spectra. Density of state (DOS) analysis affirm that enhanced conductivity upon complexation is due to the origination of new energy states in occupied and virtual orbitals nearer to the Fermi level. Moreover, PDOS spectra show that CTPy primarily contributes to the energy of HOMO. The outcome of the current study depicts appreciable sensitivity of CTPy towards lung irritants. Moreover, the competing role of naturally occurring atmospheric water is also investigated. We believe that the upshot of the current findings and their forecasts will provide useful guidelines for an experimentalist to design highly sensitive sensors for toxic analytes using CTPy. HIGHLIGHTS: • The highest QNBO transfer towards the analyte (- 0.121) is seen in the chlorine@CTPy complex. • The highest reduction in Eg (61%) between occupied and virtual orbitals is noticed in chlorine@CTPy. • The orbital overlap results in a 41% red shifting of [Formula: see text] in chlorine@CTPy. • Cyclotetrapyrole is highly sensitive for chlorine.

Characterization of functional genes GS3 and GW2 and their effect on the grain size of various landraces of rice (Oryza sativa).

BACKGROUND: Grain size is an essential factor of grain quality and yield in rice. The genetic studies have substantially contributed to enhancing yield and maintaining a good quality of rice. The two major genes GS3 (a negative regulator of grain length) and GW2 (a negative regulator of grain width) with functional mutation play a significant role in controlling the grain size of rice. METHODS AND RESULTS: In the study, 17 different widely grown Pakistani landraces of various genetic and geographic backgrounds were evaluated for grain phenotypic traits (1000-grain weight, length, width, and thickness) and also screened for genotypic mutation in GS3 and GW2 genes. Phenotypic data revealed the range for grain weight from 16.86 g (Lateefy) to 26.91 g (PS2), grain length ranged from 7.27 mm (JP-5) to 12.18 mm (PS2), grain width ranged from 2.01 mm (Lateefy) to 3.51 mm (JP5), and grain thickness ranged from 1.79 mm to 2.19. Correlation revealed a negative and significant correlation between grain width and length. There was no significant correlation between grain length and 1000-grain weight and grain width. LSD test displayed that the means of three variables grain length, grain width, and 1000-grain weight were statistically different from one another except grain width and grain breadth. Fifteen accessions carried the domesticated allele of GS3 while JP5 and Fakhr-e-Malakand carried the dominant allele. Similarly, fifteen accessions carried the dominant allele of GW2 while JP-5 and Fakhr-e-Malakand carried the mutant allele. CONCLUSIONS: The study shows that the mutant alleles of both genes are of significance to pyramid them in any breeding program. However, just incorporating favorable alleles is not the sole solution for improving the grain size. Therefore, further elucidation of GS3 and GW2 genes regulatory network, their interaction, trade-off, and pathways will better coordinate their marker-assisted selection in the future breeding program. Additionally, the study concluded that the selection of grain size was not dependent on 1000-grain weight in the selected germplasm.

Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials.

In this report, the geometric and electronic properties and static and dynamic hyperpolarizabilities of alkali metal-doped C6O6Li6 organometallics are analyzed via density functional theory methods. The thermal stability of the considered complexes is examined through interaction energy (E int) calculations. Doping of alkali metal derives diffuse excess electrons, which generate the electride characteristics in the respective systems (electrons@complexant, e-@M@C6O6Li6, M = Li, Na, and K). The electronic density shifting is also supported by natural bond orbital charge analysis. These electrides are further investigated for their nonlinear optical (NLO) responses through static and dynamic hyperpolarizability analyses. The potassium-doped C6O6Li6 (K@C6O6Li6) complex has high values of second- (ßtot = 2.9 × 105 au) and third-order NLO responses (γtot = 1.6 × 108 au) along with a high refractive index at 1064 nm, indicating that the NLO response of the corresponding complex increases at a higher wavelength. UV-vis absorption analysis is used to confirm the electronic excitations, which occur from the metal toward C6O6Li6. We assume that these newly designed organometallic electrides can be used in optical and optoelectronic fields for achieving better second-harmonic-generation-based NLO materials.

Environmental sustainability assessment of biodiesel production from Jatropha curcas L. seeds oil in Pakistan.

According to IPCC Annual Report (AR-5), environmental impact assessment of any product prototype is recommended before its large-scale commercialization; however, no environmental profile analysis of any biodiesel prototype has been conducted in Pakistan. Therefore, objective of this study was to conduct a comprehensive life cycle assessment (LCA), water footprint and cumulative energy demand (CED) of biodiesel production from Jatropha curcas L. (JC) seeds oil in Pakistan. A cradle-to-gate LCA approach was applied for 400 liter (L) JC biodiesel produced in Pakistan. JC biodiesel production chain was divided into three stages i.e., 1). cultivation of JC crop 2). crude oil extraction from JC seeds and 3). crude oil conversion to biodiesel. Primary data for all the stages were acquired through questionnaire surveys, field visits and measurements in the field. Potential environmental impacts were calculated in SimaPro v.9.2 software using Eco-indicator 99 methodology. Results showed that crude oil extraction stage accounted for highest emissions (77%) to the overall environmental impact categories evaluated, followed by oil conversion stage (21%) and JC cultivation stage (02%), respectively. The three stages of JC biodiesel production chain are major contributor to ecotoxicity with a contribution of 57% to this impact category. Higher contribution to ecotoxicity was due to agrochemicals used in the JC cultivation. Similarly, fossil fuels impact category was responsible for 38% of overall environmental impacts. In addition, water footprint of JC biodiesel production chain was 2632.54 m3/reference unit. Cumulative energy required for 400L JC biodiesel production chain was 46745.70 MJ in Pakistan. Fossil diesel consumption, synthetic fertilizers use and purchased electricity were major hotspot sources to environmental burdens caused by JC biodiesel production in Pakistan. By performing sensitivity analysis at 20% reduction of the baseline values of fossil diesel used, synthetic fertilizers and purchased electricity, a marked decrease in environmental footprint was observed. It is highly recommended that use of renewable energy instead of fossil energy would provide environmental benefits such as lower greenhouse gases and other toxic emissions as compared to conventional petroleum fuels. It is also recommended that JC as a biofuel plant, has been reported to have many desired characteristics such as quick growth, easy cultivation, drought resistance, pest and insect resistance, and mainly great oil content in JC seeds (27-40%). Therefore, JC plant is highly recommended to Billion Tree Afforestation Project (BTAP) for plantation on wasteland because it has multipurpose benefits.

Antimicrobial, antioxidant and cytotoxic properties of Chenopodium glaucum L.

We evaluated phytochemical composition, antibacterial, antifungal, anti-oxidant and cytotoxic properties of aqueous (water) and organic extracts (methanol, ethyl acetate and n-hexane) of Chenopodium glaucum. Highest phenolic content 45 mg gallic acid equivalents (GAE)/g d.w was found in aqueous extract followed by ethyl acetate (41mg GAE/g d.w) and methanol extract (34.46 mg GAE/g d.w). Antibacterial potential of aqueous and organic extracts of C. glaucum was examined against Acinetobacter baumannii, Klebsiella pneumoniae, Escherichia coli and Staphylococcus epidermidis. The aqueous, methanolic, ethyl acetate, and n-hexane extract showed antibacterial activity against A. baumannii, K. pneumoniae, E. coli and S. epidermidis. However, against A. baumannii significantly higher inhibition zone (19 mm and 18.96 mm respectively) was shown by ethyl acetate and methanol extracts. Aqueous extract possessed highest growth inhibition (11 mm) against E. coli. Aqueous, ethyl acetate and methanol extracts showed 9 mm, 10 mm, and 10.33 mm zone of inhibition against the K. pneumoniae. For antifungal activity, the extracts were less effective against Aspergillus niger but showed strong antifungal activity against Aspergillus flavus (A. flavus). The antioxidant activity was measured as DPPH (2, 2-diphenyl-1-picrylhydrazyl), H2O2 and ABTS (2, 2'-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) scavenging activity of free radicals. All the organic extracts of C. glaucum possessed ABTS, DPPH and H2O2 scavenging properties. The highest cytotoxic activity measured as half maximal inhibitory concentration (IC50) against human lungs carcinoma cells was recorded for methanolic (IC50 = 16 µg/mL) and n-hexane (IC50 = 25 µg/mL) extracts, respectively. The Gas chromatography-mass spectrometry (GC-MS) analysis showed 4 major and 26 minor compounds in n-hexane extract and 4 major and 7 minor compounds in methanol extract of the C. glaucum. It is concluded that aqueous and organic extracts of C. glaucum would be potential therapeutic agents and could be exploited on a pilot scale to treat human pathogenic diseases.

Evaluation of Jatropha curcas L. leaves mulching on wheat growth and biochemical attributes under water stress.

BACKGROUND: Organic mulches are widely used in crop production systems. Due to their benefits in improving soil fertility, retention of soil moisture and weed control. Field experiments were conducted during wheat growing seasons of 2018-2019 and 2019-2020 to evaluate the effects of Jatropha leaves mulch on the growth of wheat varieties 'Wadan-17' (rainfed) and 'Pirsabaq-2013' (irrigated) under well irrigated and water stress conditions (non-irrigated maintaining 40% soil field capacity). Jatropha mulch was applied to the soil surface at 0, 1, 3 and 5 Mg ha-1 before sowing grains in the field. Under conditions of water stress, Jatropha mulch significantly maintained the soil moisture content necessary for normal plant growth. RESULTS: We noted a decrease in plant height, shoot and root fresh/dry weight, leaf area, leaf relative water content (LRWC), chlorophyll, and carotenoid content due to water stress. However, water stress caused an increase in leaf and root phenolics content, leaf soluble sugars and electrolytes leakage. We observed that Jatropha mulch maintained LRWC, plant height, shoot and root fresh/dry weight, leaf area and chlorophyll content under water stress. Moreover, water stress adverse effects on leaf soluble sugar content and electrolyte leakage were reversed to normal by Jatropha mulch. CONCLUSION: Therefore, it may be concluded that Jatropha leaves mulch will minimize water stress adverse effects on wheat by maintaining soil moisture and plant water status.

Chronic exposure of bisphenol S (BPS) affect hypothalamic-pituitary-testicular activities in adult male rats: possible in estrogenic mode of action.

BACKGROUND: The industrial revolution has resulted in increased synthesis and the introduction of a variety of compounds into the environment and their potentially hazardous effects have been observed in the biota. The present study was aimed to evaluate the potential endocrine-disrupting effects of chronic exposure to the low concentrations of bisphenol S (BPS) in male rats. METHODS: Weaning male Sprague-Dawley rats (22 days old) were either exposed to water containing 0.1% ethanol for control or different concentrations of BPS (0.5, 5, and 50 µg/L) in drinking water for 48 weeks in the chronic exposure study. After completion of the experimental period, animals were dissected and different parameters (hormone concentrations, histology of testis and epididymis, oxidative stress and level of antioxidant enzymes in the testis, daily sperm production (DSP), and sperm parameters) were determined. RESULTS: Results of the present study showed a significant alteration in the gonadosomatic index (GSI) and relative reproductive organ weights. Oxidative stress in the testis was significantly elevated while sperm motility, daily sperm production, and the number of sperm in epididymis were reduced. Plasma testosterone, luteinizing hormone (LH), and follicle-stimulating hormone (FSH) concentrations were reduced and estradiol levels were high in the 50 µg/L-exposed group. Histological observations involved a significant reduction in the epithelial height of the testis along with disrupted spermatogenesis, an empty lumen of the seminiferous tubules, and the caput region of the epididymis. CONCLUSION: These results suggest that exposure to 5 and 50 µg/L of BPS for the chronic duration started from an early age can induce structural changes in testicular tissue architecture and endocrine alterations in the male reproductive system which may lead to infertility in males.

Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-]thiophene complexes; a DFT approach.

In this study, the nonlinear optical (NLO) response of alkali metal atom (Li, Na and K) and their corresponding superalkali (Li3O, Na3O and K3O) doped six membered cyclic thiophene (6CT) has been explored. The optimized geometries of complexes; Li@6CT, Na@6CT, K@6CT, Li3O@6CT, Na3O@6CT and K3O@6CT depict that the superalkalis and alkali metals interact through the active cavity of 6CT. Interaction energies reveal that superalkalis have higher interaction with 6CT than alkali metals. The nonlinear optical (NLO) response of the reported complexes is estimated via both static and dynamic hyperpolarizabilities which are further rationalized by the HOMO-LUMO gap, natural bond orbital (NBO) charge transfer, dipole moment, polarizabilities and ß vec. A remarkably high NLO response is computed for Na3O@6CT among all of the complexes. The static hyperpolarizability of the Na3O@6CT complex is 5 × 104 au along with the highest ß vec value (2.5 × 104 au). High charge transfer (1.53e -) and small E H-L gap (2.96 eV) is responsible for such a large NLO response. For dynamic NLO responses, electro-optic Pockel's effect (EOPE) and second-harmonic generation (SHG) are explored. A very large quadratic nonlinear optical response (3.8 × 10-12 au) is observed for the Na3O@6CT complex. Moreover, the absorption spectrum of the Na3O@6CT complex shows ultra-high transparency in the ultraviolet and visible regions unlike any other of its counterparts.

Spontaneous Perforation Of Meckel's Diverticulum Presenting With Generalized Peritonitis.

Meckel's diverticulum is the most common congenital anomaly of the GIT with a low incidence of 2% and the complication rate is even lower with perforation being the rarest. We report an intriguing case of a 15-year-old male, who presented with one-week history of high-grade fever and diarrhoea followed by acute onset of abdominal pain in the periumbilical region which became generalized. On physical examination his abdomen was distended with guarding and rigidity. A provisional diagnosis of peritonitis secondary to enteric perforation was made and exploratory laparotomy was done which revealed a perforated Meckel's diverticulum and advanced peritonitis. A diverticulectomy with double barrel ileostomy were performed. No heterotopic tissue in the diverticulum was noted on histopathology, nor any other abnormal tissue identified. The patient made an uneventful recovery postoperatively and ileostomy reconstruction was done two months later. This case report is rare case of Meckel's diverticulum complications and highlights the importance of considering Meckel's diverticulum as a differential diagnosis in every patient presenting with acute abdomen, which can aid toward better management through laparoscopy.

Clinicopathological Characteristics and Short-Term Survival Analyses of Cutaneous Malignant Melanoma.

Objective Cutaneous malignant melanoma (CMM) arises from melanocytes, which are pigment-producing cells in the skin. CMM constitutes less than 5% of all cutaneous malignancies worldwide but is associated with the highest mortality rate among all skin cancers. The objective of this study was to examine the profile of clinicopathological factors, survival analyses, recurrence rate, metastatic rates, and the management of CMM at Shaukat Khanum Memorial Cancer Hospital and Research Centre (SKMCH&RC) in Lahore, Pakistan. Methodology All patients with a diagnosis of CMM treated at our institute from 2014 to 2017 were included in the study. Demographic variables and clinicopathological characteristics were collected and short-term oncological outcomes were recorded. All data were entered and analyzed in SPSS Statistics version 21 (IBM, Armonk, NY). Results A total of 28 patients were included in the study. The median age of the patients was 46.5 ±15.9 years. There were 16 male and 12 female patients. A family history of melanoma was present in 7.1% (n=2) of the patients. All patients had a mean survival of 13.43 ±9.09 months. The lower limb was the most common site of tumor among all patients, accounting for 46.4% (n=13) of the cases. On histopathological analyses, ulceration was seen in 53.6% (n=15) of the patients. Unclassified tumor type was present in 75% (n=21) of the patients, followed by nodular in 21.4% (n=6), and superficial spreading in 3.5% (n=1). Clark level IV was the most common presentation, constituting 46.4% (n=13) of the cases. Metastasis was seen in 50% (n=14) of the patients. Local recurrence was observed in 60.7% (n=17) of the patients; 64.3% (n=18) of the patients were alive after one year of treatment. Conclusion CMM is a disease with very high fatality rates. Although it is a disease commonly associated with fair-skinned populations, the incidence of CMM is rising in our part of the world as well. Early diagnosis and prompt management of the disease are crucial in its treatment. However, the mortality rate associated with this disease is still not favorable.

Synchronous Primary Endometrial and Ovarian Cancers: Trends and Outcomes of the Rare Disease at a South Asian Tertiary Care Cancer Center.

Background and objective The incidence of synchronous primary endometrial and ovarian cancer is uncommon and poses a diagnostic challenge to the treating physician about their origin as either primary or metastasis. The purpose of this study was to evaluate the clinicopathological behavior, treatment modality-related outcomes, and prognosis related to primary endometrial and ovarian cancers at a tertiary care referral center in South Asia. Methods We retrospectively analyzed 30 patients with synchronous ovarian and endometrial cancers treated at Shaukat Khanum Memorial Cancer Hospital and Research Centre in Lahore, Pakistan from January 2005 to August 2017. Results The median age of the patients at the time of diagnosis was 51 years (range: 25-72 years). The common presenting symptoms were irregular uterine bleeding (30%), post-menopausal bleeding (26.7%), abdominal mass (16.7%), and abdominal pain (26.7%). Endometrial adenocarcinoma type was the most common histological variant found among the participants: 90% (n=27) of uterine and 56.7% (n=17) of ovarian cancers. All patients underwent surgical intervention. Among them, 25 patients received platinum-based adjuvant chemotherapy, four received neoadjuvant chemotherapy, and 18 received adjuvant radiotherapy. The early-stage group [International Federation of Gynecology and Obstetrics (FIGO) stage I and II] had a more favorable prognosis than the advanced stage group (FIGO stages III and IV). Conclusion Based on our findings, patients with synchronous primary endometrial and ovarian cancers have better overall survival rates than patients with single primary ovarian or endometrial cancers. Also, synchronous primary endometrial and ovarian cancer endometroid types have better overall survival than patients with non-endometrioid or mixed histologic types.

Malignant Melanoma of the Female Genital Tract: Experience of an Oncology Center in Pakistan.

Introduction Malignant melanoma, which arises from melanocytes or pigment cells, is one of the most common forms of epithelial cancer. Cutaneous and noncutaneous melanomas differ clinically and genetically. Mucosal melanomas are rare. In the female genital tract, the most frequent location of melanoma is the vulva, whereas the vagina is seldom affected. The occult nature of their anatomical location contributes to the late presentation and late diagnosis of vaginal melanoma, resulting in an exceedingly poor patient prognosis. The present study describes the incidence, symptoms, management, and prognosis of women in Pakistan with malignant melanoma of the vulva, vagina, and cervix. Materials and methods The Hospital Information System of Shaukat Khanam Memorial Cancer Hospital and Research Center was searched electronically to identify patients diagnosed with malignant melanoma from January 1995 to December 2017. Patients with cutaneous malignant melanoma, multiple primary tumors, and metastases to the female genital tract from primary tumors located elsewhere were excluded. All included patients had been diagnosed with primary malignant melanoma of the female genital tract. Results The search of medical records identified 271 patients with malignant melanoma, of whom 13 had primary malignant melanomas of the female genital tract. Of these 13 patients, nine, three, and one had primary vaginal, vulvar, and cervical melanomas, respectively. Median age at presentation was 60 years (range, 30-70 years), with 10 patients being post-menopausal. The most common presentations were per-vaginal bleeding and per-vaginal discharge (five patients each). The mean duration of symptoms was 7.46 months. Seven patients underwent wide local excision. Six patients had nodular type malignant melanoma, two had superficial spreading type, and five were unclassified. Nine patients had pathological T4 disease, and two had pathological T3. Mean Breslow depth was 5.4 millimeters (mm), with 10 patients having tumor depth >4 mm. Eight patients were positive for the microscopic involvement of margins. The mean time to recurrence was 11.8 months (range, 1-24 months), and the mean time to metastasis was 17.6 months (range, 2-44 months). The median survival after surgery was 25 months (range, 2-75 months). Conclusion This study is the first to report the incidence, symptoms, management, and prognosis of patients in Pakistan with malignant melanoma of the female genital tract. Meta-analyses and prospective multicenter studies are needed.