Miracle-dz/UniFAR-FTUs huggingface dataset:
Controllable Synthesis of 1, 3, 5-tris (1H-benzo[d]imidazole-2-yl) Benzene-Based MOFs

The growing interest in metal–organic frameworks (MOFs) in both industrial and scientific circles has increased in the last twenty years, owing to their crystallinity, structural versatility, and controlled porosity. In this study, we present three novel MOFs obtained from the 1, 3, 5-tris (1H-benzo[d]imidazole-2-yl) benzene (TIBM) organic linker. The formed TIBM crystal powders were characterized by scanning electron microscopy (SEM) to estimate the morphology of the particles, powder X-ray diffraction (XRD) to confirm the crystal structure, Brunauer–Emmett–Teller (BET) method for structural analysis, and thermogravimetric measurements to examine the thermal stability. The TIBM-Cu MOF showed excellent CO2 (3.60 mmol/g) adsorption capacity at 1 bar and 298 K, because of the open Cu site, compared to TIBM-Cr (1.6 mmol/g) and TIBM-Al (2.1 mmol/g). Additionally, due to the high porosity (0.3–1.5 nm), TIBM-Cu MOF showed a considerable CO2/N2 selectivity (53) compared to TIBM-Al (35) and TIBM-Cr (10).
Ecophysiological Studies of Lead Stress on Vigna mungo L. Seedlings

In the present study of eco physiological effects of lead nitrate was observed by taking a local cultivated cereal crop Vigna mungo (L). The germination data showed that there is a negative impact of concentration of lead nitrate on the germination of seeds. There is decrease in seed germination at higher concentration in comparison to control. Root and shoot growth of seedling was effected when exposed to high concentration of lead nitrate. Roots were more affected and much reduced than shoots. Morphologically they look different from normal roots by their size and shapes. Effect of different concentration of lead nitrate was visible in different pigment concentration of leaves. Lead toxicity inhibits chlorophyll formation which visually showed in degeneration of green pigments in shoots exposed to different concentration of lead nitrate. With the increase in concentration of the toxicant, the exposed seedlings showed a decline in chl-a, chl-b, total chl, carotenoid and pheophytin content in shoots. This was a clear indication that the fall in the growth rate, pigment content had direct impact on photosynthesis. Conclusively, our results show that lead at higher concentration decreases seed germination, chl-a, chl-b, total chl, carotenoid and pheophytin contents in the mung seedlings.Int. J. Appl. Sci. Biotechnol. Vol 6(3): 227-231
Is ESG-ness the vaccine?

ABSTRACT In an attempt to foster debate on whether firms’ commitment to ESG policies affects stocks risk-adjusted performance, we analysed the blue-chips of the European countries most affected by COVID-19. We found statistical evidence that companies that follow high ESG standards outperformed low ESG-ranked firms during Phase 1 of COVID-19. In particular, the dampening effect on the downside stock market movement was more evident during the first part of Phase 1 characterized by the sudden crash of stock prices.
Identification of Lutzomyia longipalpis Odorant Binding Protein Modulators by Comparative Modeling, Hierarchical Virtual Screening, and Molecular Dynamics

Visceral leishmaniasis (VL) is the second most important vector-borne disease in the world. It is transmitted by Lutzomyia longipalpis in America; therefore, controlling the vector is essential to prevent the disease, especially using traps with chemical attractants. It is known that odorant binding proteins (OBPs) act at the first odor selection level, so in silico methodology was used to identify putative vector chemical modulators based on OBPs on known ligand structures. Therefore, 3D structures of L. longipalpis OBP were predicted through different comparative modeling methods. The best model was subjected to molecular dynamics studies. Then, a hierarchical virtual screening approach filtered OBP modulator-like compounds from ZINC12 biogenic database based in global chemical space, using principal components from ChemGPS-NP server. Such compounds then were evaluated and ranked according to their affinity with the OBP orthosteric site by molecular docking in DOCK 6.7. The compounds were scored by Grid Score function and top five ranked poses had their intermolecular complex interactions analyzed in PLIP server. Most ligands in the top of the rank were lysophospholipids, which could potentially interact with the OBP hydrophobic pocket through Phe72, Tyr76, Ile79, Ala87, Lys88, Asp92, Phe61, Leu75, Trp113, His120, and Phe122 residues and H-bonding with His120 and Phe122. Next, compounds in the top of the rank were evaluated by 50 ns MD and the results showed that the phosphate group of these compounds could set a salt bridge with His110. Additionally, Tyr76, Ala87, Met91, Trp113, and Phe122 were important to hydrophobic interactions with the ligand. These results highlight the importance of accurate assessments such as MD studies in order to analyze the docking results in the identification of new odorant modulators.
Phytochemical and GC-MS Analysis of Hydro Ethanolic Leaf Extract of Ocimum sanctum (L.)

Background: The pharmacological efficiency of herbal drugs has shown to be effective as conventional pharmaceutical drugs. Preliminary screening of herbal extracts helps in analysing the bioactive compounds present. Ocimum sanctum, the queen of herbs keeps a spiritual importance in Indian culture and have important place in traditional medicinal system of India. Objectives: The present study was implement to investigate the preliminary phytochemical screening and GC-MS analysis of leaf extract of O. sanctum to determine the phyto-constituents. Materials and Methods: Leaves collected were dried, crushed and mixed with ethanol and water and further applied for extract preparation. The prepare extract was used for phytochemical and GC-MS analysis. Results: In qualitative phytochemical analysis tannins, carbohydrate, quinine, anthraquinones, coumarins, phlobatanins, alkaloids, flavonoids, glycosides, terpenoids, diterpenes, phenols were found present while GC-MS analysis showed Eugenol, Cyclohexane, bicyclo[7.2. 0]undec-4-ene, 4,11,11-trimethyl-8-methylene, Oxatricy-clo[8.2. 0.0(4,6)]dodecane,,12-trimethyl-9-methylene, Tetracontane, Phytol were present in majority. Conclusion: The study concluded that O. sanctum leaf extracts contain many biological active compounds which could be exploited for a development of plant based drug.
A systematic review and meta-analysis of the prevalence and determinants of gestational diabetes mellitus in Nigeria

Background: Gestational diabetes mellitus (GDM) is any degree of glucose intolerance with onset or first diagnosis in pregnancy. GDM has numerous potential complications and it is important to estimate its burden and risk factors. The objective of the meta-analysis was to determine the pooled prevalence of GDM in Nigeria and identify its determinants. Methods: The study design was a meta-analysis; therefore the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines were followed. Electronic databases (African Journal Online, PubMed, SCOPUS, and Google Scholar) and the gray literature were systematically searched. Statistical analysis was done with MetaXL using the random effect model. Heterogeneity was determined using the I2 statistic and the publication bias was checked with the Doi plot. Results: The total sample size was 46 210. The prevalence of GDM in Nigeria was 0.5 – 38% and the pooled prevalence was 11.0% (95% CI 8-13). The I2 statistic was 99%. The Doi plot suggested some degree of bias. The most frequently reported determinants of GDM were previous macrosomic babies, maternal obesity, family history of diabetes, previous miscarriage, and advanced maternal age. Conclusion: The prevalence of GDM in Nigeria is high and efforts should be geared at modifying its risk factors so as to reduce its prevalence and prevent the associated complications.
Atmospheric Air Plasma Treated SnS Films: An Efficient Electrocatalyst for HER

Here, we demonstrate the enhanced water-splitting performance (I = 10 mA/cm2, Tafel slope = 60 mV/dec, onset potential = −80 mV) of atmospheric air plasma treated (AAPT) SnS thin films by the hydrogen evolution reaction (HER). The as prepared SnS films were subjected to Atmospheric Air Plasma Treatment (AAPT) which leads to formation of additional phases of Sn and SnO2 at plasma powers of 150 W and 250 W, respectively. The AAPT treatment at 150 W leads to the evaporation of the S atoms as SO2 generates a number of S-vacancies and Sn active edge sites over the surface of the SnS thin film. S-vacancies also create Sn active edge sites, surface p-type pinning that tunes the suitable band positions, and a hydrophilic surface which is beneficial for hydrogen adsorption/desorption. At high plasma power (250 W), the surface of the SnS films becomes oxidized and degrades the HER performance. These results demonstrate that AAPT (150 W) is capable of improving the HER performance of SnS thin films and our results indicate that SnS thin films can work as efficient electrocatalysts for HER.
Structured diagnosis and timely treatment of dual diagnosis: effect on the retention rate in outpatient treatment for substance use disorders

ABSTRACT Background In patients with substance use disorders (SUD), adherence to outpatient treatment programs is critical. There is little research in Mexico on the evaluation of different treatment models. The objective of this study was to evaluate and adjust an ambulatory treatment model in subjects with SUD in a care centre in Mexico. Methods This project was planned in two stages: the first consisted of evaluating the efficacy of the established model and determining the variables associated with compliance at 12 weeks. The second stage has reevaluated the model once the variables associated with the abandonment of the treatment were modified. Results A total of 220 (S1) and 161 (S2) patients were included. The first model showed a 12-week retention rate of 24% and lower comorbidity than that reported in the literature (32% versus 60–80%). Then the model was adjusted to include the structured diagnosis and the systematized treatment of the dual pathology. In the reassessment phase, psychiatric comorbidity increased to 86.3% and the retention rate was increased to 40.37%. Conclusions The structured diagnosis and timely treatment of dual pathology is a fundamental component to improving retention rates in outpatient programs for treating patients with SUD.
Deep Learning in Healthcare

This article aims to discuss and demonstrate deep learning techniques used in healthcare. After introducing the feasibility of deep learning in the medical field, the article discussed the opportunities and challenges of deep learning in healthcare from different perspectives. Then, the article showed the current implementations and applications of deep learning in the medical healthcare system. Finally, the article summarizes deep learning techniques and applications in healthcare.
A generalized photon-tracking approach to simulate spectral snow albedo and transmittance using X-ray microtomography and geometric optics

Abstract. A majority of snow radiative transfer models (RTMs) treat snow as a collection of idealized grains rather than an organized ice–air matrix. Here we present a generalized multi-layer photon-tracking RTM that simulates light reflectance and transmittance of snow based on X-ray microtomography images, treating snow as a coherent 3D structure rather than a collection of grains. The model uses a blended approach to expand ray-tracing techniques applied to sub-1 cm3 snow samples to snowpacks of arbitrary depths. While this framework has many potential applications, this study's effort is focused on simulating reflectance and transmittance in the visible and near infrared (NIR) through thin snowpacks as this is relevant for surface energy balance and remote sensing applications. We demonstrate that this framework fits well within the context of previous work and capably reproduces many known optical properties of a snow surface, including the dependence of spectral reflectance on the snow specific surface area and incident zenith angle as well as the surface bidirectional reflectance distribution function (BRDF). To evaluate the model, we compare it against reflectance data collected with a spectroradiometer at a field site in east-central Vermont. In this experiment, painted panels were inserted at various depths beneath the snow to emulate thin snow. The model compares remarkably well against the reflectance measured with a spectroradiometer, with an average RMSE of 0.03 in the 400–1600 nm range. Sensitivity simulations using this model indicate that snow transmittance is greatest in the visible wavelengths, limiting light penetration to the top 6 cm of the snowpack for fine-grain snow but increasing to 12 cm for coarse-grain snow. These results suggest that the 5 % transmission depth in snow can vary by over 6 cm according to the snow type.
Synthesis, Growth and Physicochemical Properties of a New Semiorganic Nonlinear Optical Crystal: L-Arginine Monohydrochloride Barium Chloride (LAMBC)

Appropriate amounts of l-arginine monohydrochloride and barium chloride were dissolved in double distilled water at room temperature. Transparent and defect less bulk crystal of LAMBC with dimension 6 x 5 x 3 mm3 have been grown by solution growth method. Single crystal X-ray diffraction study reveals that LAMBC crystal belongs to orthorhombic crystal system and the measured lattice parameters values are a=8.28 A, b=9.37 A, c=14.938 A, α=β=γ=900 and volume V=1158.94 A. In Powder XRD, the powdered sample was scanned over in the range of 10 to 80o at a scan rate of 1o per minute. Thus the powder XRD pattern observed well defined Bragg’s peaks reveal that the LAMBC crystal is in good crystalline nature. FT-IR analysis was carried out to identity the various functional groups present in LAMBC. In the recorded optical transmission spectrum, the UV transparency cut-off wavelength at 307 nm and high transmission percentage of LAMBC crystal from 307 nm to 1000 nm are observed. The powder SHG efficiency of LAMBC crystal is 0.55 times that of standard inorganic KDP. Microhardness study of grown crystal of LAMBC reveals that the grown crystal possesses high mechanical strength. The dielectric properties of LAMBC crystal shows high dielectric constant in lower frequency region and decreases with increase in frequency. The surface of the grown crystal LAMBC has examined by chemical etching analysis.
Near-Complete Genome of SARS-CoV-2 Delta (AY.3) Variant Identified in a Dog in Kansas, USA

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) descriptions of infection and transmission have been increasing in companion animals in the past year. Although canine susceptibility is generally considered low, their role in the COVID-19 disease cycle remains unknown. In this study, we detected and sequenced a delta variant (AY.3) from a 12-year-old Collie living with owners that previously tested positive for SARS-CoV-2. It is unclear if the dogs’ symptoms were related to SARS-CoV-2 infection or underlying conditions. The whole genome sequence obtained from the dog sample had several unique consensus level changes not previously identified in a SARS-CoV-2 genome that may play a role in the rapid adaptation from humans to dogs. Within the spike coding region, 5/7 of the subconsensus variants identified in the dog sequence were also identified in the closest in-house human reference case. Taken together, the whole genome sequence, and phylogenetic and subconsensus variant analyses indicate the virus infecting the animal originated from a local outbreak cluster. The results of these analyses emphasize the importance of rapid detection and characterization of SARS-CoV-2 variants of concern in companion animals.
Adsorption of asphaltenes on mixed oxide synthesized by auto-combustion method

Abstract The oil classified as heavy is the one with the largest number of deposits at present. However, these deposits are usually difficult to exploit since they contain a high concentration of asphaltenes which cause problems in the refineries at the time of extraction. Different strategies were used to decrease the effects of asphaltenes, being the most effective the use of adsorbents based on metal oxides. This is because metal oxides prevent the re-precipitation of asphaltenes under oil extraction; these methods can be easy implemented in modern refineries. In this work, we propose the synthesis of mixed oxide (Ni(3/2)xFe2-xO4) by self-combustion technique, being then used as an effective asphaltene adsorbent. Its asphaltene adsorption capacity was compared with nickel oxide and hematite, which were synthesized by controlled precipitation. The oxides were characterized by the techniques of X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR); their morphological characterization was carried out by scanning electron microscopy (SEM). The capacity of adsorption of asphaltenes was determined with the technique of UV-Vis spectroscopy. The results show that the Ni(3/2)xFe2-xO4 is a good adsorbent being compared with hematite and nickel oxide, both for asphaltenes with ether and amino groups. The mixed oxide shows a mayor affinity to asphaltenes containing amino groups, being compared with the hematite and nickel oxide; in addition, the mixed oxide has a low affinity to petroleum, which makes it selective to asphaltenes. Graphical Abstract
Formulation, Optimization and Evaluation of Luteolin-Loaded Topical Nanoparticulate Delivery System for the Skin Cancer

In the present study, luteolin (LT)-loaded nanosized vesicles (LT-NVs) were prepared by a solvent evaporation–hydration method using phospholipid and edge activator. The formulation was optimized using three factors at a three-level Box–Behnken design. The formulated LT-NVs were prepared using the three independent variables phospholipid (A), edge activator (B) and sonication time (C). The effect of used variables was assessed on the vesicle size (Y1) and encapsulation efficiency (Y2). The selection of optimum composition (LT-NVopt) was based on the point prediction method of the software. The prepared LT-NVopt showed the particle size of 189.92 ± 3.25 nm with an encapsulation efficiency of 92.43 ± 4.12% with PDI and zeta potential value of 0.32 and −21 mV, respectively. The formulation LT-NVopt was further converted into Carbopol 934 gel (1% w/v) to enhance skin retention. LT-NVoptG was further characterized for viscosity, spreadability, drug content, drug release, drug permeation and antioxidant, antimicrobial and cytotoxicity assessment. The evaluation result revealed optimum pH, viscosity, spreadability and good drug content. There was enhanced LT release (60.81 ± 2.87%), as well as LT permeation (128.21 ± 3.56 µg/cm2/h), which was found in comparison to the pure LT. The antioxidant and antimicrobial study results revealed significantly (p ˂ 0.05) better antioxidant potential and antimicrobial activity against the tested organisms. Finally, the samples were evaluated for cytotoxicity assessment using skin cancer cell line and results revealed a significant difference in the viability % at the tested concentration. LT-NVoptG showed a significantly lower IC50 value than the pure LT. From the study, it can be concluded that the prepared LT-NVoptG was found to be an alternative to the synthetic drug as well as conventional delivery systems.
Glucose-Reduced Nano-Graphene Oxide with Excellent Accumulation Removal of Pharmaceuticals and Personal Care Products from Water

Accumulation and removal of pharmaceuticals and personal care products (PPCPs) such as naproxen, ibuprofen and oxybenzone, bezafibrate, clofibric acid, carbamazepine, diclofenac from aqueous solutions was investigated using glucose-reduced nano-graphene oxide (nrGO) under UV light. Graphite oxide was firstly oxidized by nitronium ions (NO2+) solution using microwave heating to get nano-GO (nGO) with about 50 nm of diameter, and then nGO was reduced in glucose at 135°C for 30 min to get nrGO with about 40 nm of diameter. The nrGO under UV light was very effective in removing pharmaceuticals, exhibits excellent accumulation and removal of diclofenac, naproxen and carbamazepine by more than 95%, while bezafibrate, ibuprofen and oxybenzone was eliminated by 80%. Clofibric acid was more stable, only eliminated by 60%. The synthesis mechanism of nrGO nanocomposite was tested and characterized with Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, Atomic force microscopy (AFM) image analysis, UV-Vis spectra, X-ray diffraction patterns, thermogravimetric analysis (TGA) and Differential scanning calorimetry (DSC). The adsorption capacity of diclofenac, naproxen and carbamazepine to nrGO nanocomposite was the highest (approx. 500.0 mgg-1, 493.4 mgg-1, 490.5 mgg-1). The calculated maximum adsorption capacities of bezafibrate, ibuprofen, oxybenzone and Clofibric acid under UV light were 325.5, 348.2, 315.8, and 245.3 mg/g, respectively).
REPETITIVE FEATURE EXTRACTION WITH LOCALIZED DELAUNAY TRIANGULATION FOR COPY-MOVE-FORGERY-DETECTION

The newly invented sophisticated softwares like Adobe Photoshop make the alteration of image very easy. Advanced tools are provided in these softwares that make the image look real which makes it inconvenient to be identified by the naked eye. Taking out features with key point based method using Scale Invariant Feature Transform (SIFT) is discussed in this paper. The extracted feature points are then modeled to with Delaunay Triangulation to get a group of triangles. Mean vertex descriptor of these triangles is matched. Outlier detection is done using Random Sample Consensus (RANSAC). Equivalent methods are outdone by the proposed approach in implementation.
iPSC-Derived Gaucher Macrophages Display Growth Impairment and Activation of Inflammation-Related Cell Death

Gaucher disease is a lysosomal storage disorder characterized by β-glucosidase enzyme deficiency and substrate accumulation, especially in cells of the reticuloendothelial system. Typical features of the disease are the unrestrained activation of inflammatory mechanisms, whose molecular pathways are still unclear. To investigate biological mechanisms underlying the macrophage activation in GD, we derived iPSCs from a healthy donor and a GD patient line and differentiated them into hematopoietic progenitors. While GD iPSCs are able to efficiently give rise to CD33+/CD45+ myeloid progenitors, the maturation towards the CD14+/CD163+ monocyte/macrophages fate resulted enhanced in the GD lines, that in addition displayed a decreased growth potential compared to control cells either in semisolid or in liquid culture. The GD lines growth impairment was associated with a significant upregulation of RIPK3 and MLKL, two key effectors of necroptosis, the inflammation related cell death pathway. The activation of necroptosis, which has already been linked to neuronopathic GD, may play a role in the disease proinflammatory condition and in the identified cell growth defects. Understanding the GD macrophage role in the alteration of mechanisms linked to cellular metabolism imbalance, cell death and inflammation are crucial in identifying new ways to approach the disease.