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The inclusion complex of diphenylamine (DPA) in 2-hydroxypropyl β-cyclodextrin (HP-β-CD) was synthesized by a co-precipitation method. The structure and molecular properties of the newly synthesized inclusion complex (DPA: HP-β-CD) were investigated along with a β-cyclodextrin (β-CD) inclusion complex (DPA: β-CD) using various analytical and theoretical methods. Phase solubility, absorption, fluorescence, Fourier transform-Infrared spectroscopy (FTIR), powder X-ray diffraction (PXRD) and scanning electron microscope (SEM) techniques were used to investigate the structural properties of the DPA before and after being encapsulated by the CDs (β-CD and HP-β-CD). Furthermore, the antioxidant and antibacterial activities were evaluated for DPA and the inclusion complexes (DPA: β-CD and DPA: HP-β-CD). The structure of the inclusion complexes was proposed based on the experimental results and their structural optimization was done using Becke's three parameter density functional theory using Lee-Yang-Parr's 3-21 G method in the gas phase. Then the various theoretical molecular properties, such as frontier molecular orbitals (FMO), molecular electrostatic potential map (MEP), Mulliken atomic charges, natural bond orbitals (NBO), electron localization function (ELF), localized orbital locator (LOL), quantum theory of atoms in a molecule (QTAIM) and noncovalent interactions—reduced density gradient (NCI-RDG) were studied for DPA and its inclusion complexes using the Gaussian 09 W software and Multiwfn 3.8 tool. [ABSTRACT FROM AUTHOR]

Abstract Brain-inspired resistive random-access memory (RRAM) technology is anticipated to outperform conventional flash memory technology due to its performance, high aerial density, low power consumption, and cost. For RRAM devices, metal oxides are exceedingly investigated as resistive switching (RS) materials. Among different oxides, tin oxide (SnOx) received minimal attention, although it possesses excellent electronic properties. Herein, we demonstrate compliance-free, analog resistive switching behavior with several stable states in Ti/Pt/SnOx/Pt RRAM devices. The compliance-free nature might be due to the high internal resistance of SnOx films. The resistance of the films was modulated by varying Ar/O2 ratio during the sputtering process. The I–V characteristics revealed a well-expressed high resistance state (HRS) and low resistance states (LRS) with bipolar memristive switching mechanism. By varying the pulse amplitude and width, different resistance states have been achieved, indicating the analog switching characteristics of the device. Furthermore, the devices show excellent retention for eleven states over 1000 s with an endurance of > 100 cycles.

Abstract The aetiology of schizophrenia is multifactorial, and the identification of its risk factors are scarce and highly variable. A cross-sectional study was conducted to investigate the risk factors associated with schizophrenia among Malaysian sub-population. A total of 120 individuals diagnosed with schizophrenia (SZ) and 180 non-schizophrenic (NS) individuals participated in a questionnaire-based survey. Data of complete questionnaire responses obtained from 91 SZ and 120 NS participants were used in statistical analyses. Stool samples were obtained from the participants and screened for gut parasites and fungi using conventional polymerase chain reaction (PCR). The median age were 46 years (interquartile range (IQR) 37 to 60 years) and 35 years (IQR 24 to 47.75 years) for SZ and NS respectively. Multivariable binary logistic regression showed that the factors associated with increased risk of SZ were age, sex, unemployment, presence of other chronic ailment, smoking, and high dairy consumption per week. These factors, except sex, were positively associated with the severity of SZ. Breastfed at infancy as well as vitamin and supplement consumption showed a protective effect against SZ. After data clean-up, fungal or parasitic infections were found in 98% (39/42). of SZ participants and 6.1% (3/49) of NS participants. Our findings identified non-modifiable risk factors (age and sex) and modifiable lifestyle-related risk factors (unemployment, presence of other chronic ailment, smoking, and high dairy consumption per week) associated with SZ and implicate the need for medical attention in preventing fungal and parasitic infections in SZ.

In this study, we synthesized the visible-light-driven photocatalytic activity of CdO nanowires and g-C3N4/CdO hybrid nanostructure by the hydrothermal method. X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectrometry, and UV–Vis diffuse reflectance spectroscopy studies were carried out to compare the structural, morphological, and optical properties of CdO nanowires and g-C3N4/CdO hybrid nanostructure. Also, we investigated how CdO nanowires and g-C3N4/CdO hybrid nanostructure function as photocatalysts in the photocatalytic oxidation of RhB under visible light illumination, which revealed that g-C3N4/CdO hybrid nanostructure exhibits better photocatalytic oxidation on RhB than CdO nanowires with the first-order degradation kinetics. The prepared g-C3N4/CdO hybrid nanostructure can provide hybridized conduction band or valence band, which facilitates better charge transport and reduces recombination electron-hole charge carriers leading to higher photocatalytic performance. Hence, making hybrid nanostructures such as g-C3N4/CdO can be a potential approach to develop effective photocatalysts for treating effluents discharged from textile and dyeing industries. [ABSTRACT FROM AUTHOR]

Designing machine learning hardware on flexible substrates is promising for several applications. Here, the authors propose an integrated smart system built with low-cost flexible electronics components for classifying human malodour, and demonstrates that the proposed system scores malodour as good as expert human assessors.

The heterogeneity in the spatial distribution of initial water saturation influences the performance of hot water flooding. The prospect of a reduction in oil recovery arises from the development of viscous instability. In the present study, a numerical simulation model has been developed by coupling heat transport, and multiphase flow in porous media integrated with the non-isothermal flow, and the numerical model has been verified with the existing analytical solution by Buckley and Leverett. The formation of a wavy temperature profile at the condensation front was found with a decreased depth of temperature penetration. The average rise of temperature is drastically affected by the spatial distribution of initial water saturation. The formation of viscous fingering was highly dominating in the reservoir, with initial water saturation randomly distributed and causing the front to move in an irregular pattern from the initial stage of the flooding. The heterogeneous reservoir with initial water distribution showed the earlier formation of viscous fingering than the homogeneous reservoir. The heterogeneity in the spatial distribution of initial water saturation had caused viscous instability, lower viscosity reduction, lower displacement sweeps efficiency, and higher residual oil saturation. The present study is limited to spatial distribution in initial water saturation to a certain degree of heterogeneity. The heterogeneity in the spatial distribution of initial water saturation highly impacted the production performance of hot water flooding. The present study provides an idea for the implementation and future development of hot water flooding in a randomly initial water saturation distributed environment.

Women’s life suffered and killed by invasive cancerous tumors is the most frequently highlighted header in many newsletters since 2010. There can be many. By their nature, invasive tumors spread from tissue to tissue and abduct themselves to cause new tumors. In many of the human biological parts, CT scan has given an objective approach to the early and successful detection of cancerous tumors. However, there were cases where diagnosis with CT scan images failed, resulting in many false positives. In economically backward countries, these false positives raised the notifying concern of women who cannot afford multiple diagnostic tests. Due to changes in biological metabolism, the growth of breast fat in women to considerably abnormal size is the main cause of false positives. In many of the images under study, this huge thick breast fat layer led to the rise of misclassification rate with false positives. Rendering societal help requires a precise mechanism that can reduce the false positives at an initial diagnosis. The proposed method introduces a novel constraint-based algorithm to classify a mammogram image as cancerous, aiming to reduce false positives. The proposed deep learning algorithm WOMT is trained with Wasserstein Distribution constraints that are derived from the mass transfer of cancerous patches to non-cancerous patches. The experimental simulations with a deep learning model trained with these constraints resulted in reduced false positives.

Highlights Single fiber polymer composites containing either natural or artificial fibers may not deliver the desired characteristics. The current study used the hand‐layup technique to make a hybrid composite by incorporating the natural fiber, Cordia‐dichotoma (CD) and artificial fiber, carbon fibers (CF) in a polyester matrix and compressing the mixture for the desired size. The current study investigates the influence of carbon fiber loading (0, 5, 10, and 15 wt%) on the mechanical, structural, and crystalline properties of CD/polyester composites keeping the total fiber loading at 20 wt%. Mechanical properties are investigated with a universal testing machine, and impact strength using Izod impact apparatus. Better mechanical properties (tensile strength‐457.38 MPa; flexural strength‐290.09 MPa and impact strength‐346.46 J/m) were obtained for the pure carbon fiber composite arranged in four layers (CF/CF/CF/CF), followed by hybrid composite (CF/CD/CD/CF) (tensile strength‐319.24 MPa; flexural strength‐253.03 MPa and impact strength‐291.34 J/m) whereas pure CD fiber (CD/CD/CD/CD) composite yielded the lowest values (tensile strength‐117.96 MPa; flexural strength‐164.99 MPa and impact strength‐118.11 J/m). Composites undergo hybridization, which improves their mechanical properties, lowers their cost, and makes them more environmentally friendly. The characteristics of the specimens were examined using Fourier Transform Infrared Spectroscopy (FTIR), X‐ray Diffraction Analysis (XRD), Atomic Force Microscope (AFM), and Scanning Electron Microscopy (SEM). According to findings, crystallinity index is increased from 77.94% for CD/CD/CD/CD composite and increased to 78.21% for CF/CD/CD/CF composite. Highest crystallinity index of 82.46% was obtained for CF/CF/CF/CF composite. These hybrid composites may be used for applications involving medium loads. In this study, Cordia‐dichotoma natural fibers are extracted and treated with alkali (NaOH) to reduce the biodegradability. To lower the cost and enhance mechanical and biodegradable properties Carbon and cordia‐dichotoma fibers have been hybridized. Mechanical Properties such as tensile, flexural and impact properties are evaluated for the prepared hybrid composites. Hybrid composites were analyzed using FTIR, AFM, XRD, and SEM to assess their suitability to various applications. [ABSTRACT FROM AUTHOR]

Well killing remains to be the critical technological stage before proceeding with workover operations. Well killing using Visco-Elastic Gel (VEG) has been found to preserve and reinstate the filtration characteristics of bottom-hole formation zone efficiently. Since, these methods exclude the possibility of penetration of well-killing fluids into the reservoirs, the natural permeability of the reservoir retained. In this article, the authors have reported for the first time about a new VEG with controlled fracture times that remains appropriate for killing oil wells associated with both terrigenous carbonate reservoir operations. A distinctive feature of the proposed technology using a VEG with adjustable degradation times (can vary from 3 to 120 h) is that it requires a relatively smaller volumes of the composition in comparison with that of the conventional technologies. As a result, a significant reduction in the negative impact on the reservoir is achieved resulting from a relatively low penetrating ability of the proposed VEG. High structural properties of the VEG make it possible to reliably block the overlapped reservoir interval and it excludes the penetration of process fluid into the reservoir. In addition, it also eliminates the flow of formation fluid from the reservoir, which is absolutely necessary for trouble-free repairing work. It was found from the present study that the use of a breaker of a particular, single type does not provide the desired results and in the present study, the authors have deduced a relatively complex breaker based on peroxyhydrate and citric acid with a 1:1 ratio. The introduction of the encapsulated peroxyhydrate at the stage of preparation of the VEG ensures monodispersity of its dispersion characteristics. The developed VEG was successfully tested in 32 wells of oil fields in the Perm Krai fields in Russia. The well killing technology developed and described in this article using a VEG with adjustable destruction times has successfully been applied in the fields of the Perm Krai. The economic effect from the application of this technology was found to be $6.000 per well.

Daphne bholua Buch. -Ham. ex D. Don (Thymelaeaceae) is a woody shrub native to the temperate forests of the Himalaya. Since the 12th century, the bark of D. bholua has been used as a raw material for handmade paper in Nepal, and employed for value-added products, including government documents, and religious texts. However, unsustainable commercial harvesting now threatens this centuries-old artisanal tradition. To inform and improve the conservation of this important species, we evaluated its habitat characteristics, size class distribution, and regeneration status along an elevation gradient (1900–2500 m) in Madane Mountain, central Nepal. We established 108 plots (5 m× 5 m) at three sites, each with three canopy types: closed, semi-closed, and open. We analyzed habitat characteristics, considering variations in physical and topographic variables and patterns of associated species in different elevation sites. D. bholua exhibited the highest mean density at higher elevations with minimal disturbance, whereas the lowest elevation site, experienced greater human disturbance, with the lowest density. Furthermore, the population structure displayed a ‘reverse J-shaped’ curve, suggesting favorable conditions for natural recruitment and regeneration. Our research findings also indicate that D. bholua populations thrive in semi-closed forest canopies, particularly when associated with Rhododendron arboreum , Quercus semecarpifolia , and Sarcococca coriacea. The outcomes may hold significant value for policymakers, conservationists, harvesters, paper manufacturers, and regulatory bodies aiding in development of environmentally sound conservation programs tailored to various elevations. Our key recommendation may appear surprising: we advise establishing a small, meticulously managed hand papermaking industry in the villages linked to Madane and nearby areas. This initiative would generate supplemental income and produce a culturally valuable and economically marketable product.

The amount of oil together with the water Originally in Place (OIP), makes up the liquid phase in heavy oil reservoir systems. This amount of liquid present in the pores of the reservoir system is known as liquid saturation, plays a vital role in improving oil recovery through In-Situ Combustion (ISC) process. The oil phase acts as fuel in generating thermal energy required for viscosity reduction and the water phase supports in the formation of an enlarged condensation zone that aids in higher mobility of the low viscous oil. A numerical investigation is carried out to study the role of water saturation on the performance of in-situ combustion in a heavy oil reservoir. A finite-difference based numerical model is developed and validated for water recovery. The model is then used to carry out the impact of liquid saturation on the performance of the ISC, as it plays a vital role in screening criteria for the selection of ISC. The numerical results projected a significant effect on the thermal and production profile during the process. A comparison between the effect of variation in water and oil saturations projected a significant increase in reservoir temperatures with increased water saturation than the oil saturation. The highest reservoir temperatures are observed at the maximum liquid (oil and water together) saturation. Further, the additional water drive provided by increased water saturation is observed to contribute to early production rates.

Whilst the influence of intestinal microbiota has been shown in many diseases such as irritable bowel syndrome, colorectal cancer, and aging, investigations are still scarce on its role in altering the nature of other infective organisms. Here we studied the association and interaction of Blastocystis sp. and human intestinal microbiota. In this study, we investigated the gut microbiome of Blastocystis sp.-free and Blastocystis sp. ST3-infected individuals who are symptomatic and asymptomatic. We tested if the expression of phenotype and pathogenic characteristics of Blastocystis sp. ST3 was influenced by the alteration of its accompanying microbiota. Blastocystis sp. ST3 infection alters bacterial composition. Its presence in asymptomatic individuals showed a significant effect on microbial richness compared to symptomatic ones. Inferred metagenomic findings suggest that colonization of Blastocystis sp. ST3 could contribute to the alteration of microbial functions. For the first time, we demonstrate the influence of bacteria on Blastocystis sp. pathogenicity. When Blastocystis sp. isolated from a symptomatic individual was co-cultured with bacterial suspension of Blastocystis sp. from an asymptomatic individual, the parasite demonstrated increased growth and reduced potential pathogenic expressions. This study also reveals that Blastocystis sp. infection could influence microbial functions without much effect on the microbiota diversity itself. Our results also demonstrate evidence on the influential role of gut microbiota in altering the characteristics of the parasite, which becomes the basis for the contradictory findings on the parasite's pathogenic role seen across different studies. Our study provides evidence that asymptomatic Blastocystis sp. in a human gut can be triggered to show pathogenic characteristics when influenced by the intestinal microbiota.

Abstract By exploiting the self‐therapeutic properties of gold nanoparticles (GNPs) a molecular axis that promotes the growth of high‐grade serous ovarian cancer (HGSOC), one of the deadliest gynecologic malignancies with poorly understood underlying molecular mechanisms, has been identified. The biodistribution and toxicity of GNPs administered by intravenous or intraperitoneal injection, both as a single dose or by repeated dosing over two weeks are first assessed; no biochemical or histological toxicity to vital organs is found. Using an orthotopic patient‐derived xenograft (PDX) model of HGSOC, the authors then show that GNP treatment robustly inhibits tumor growth. Investigating the molecular mechanisms underlying the GNP efficacy reveals that GNPs downregulate insulin growth factor binding protein 2 (IGFBP2) by disrupting its autoregulation via the IGFBP2/mTOR/PTEN axis. This mechanism is validated by treating a cell line‐based human xenograft tumor with GNPs and an mTOR dual‐kinase inhibitor (PI‐103), either individually or in combination with GNPs; GNP and PI‐103 combination therapy inhibit ovarian tumor growth similarly to GNPs alone. This report illustrates how the self‐therapeutic properties of GNPs can be exploited as a discovery tool to identify a critical signaling axis responsible for poor prognosis in ovarian cancer and provides an opportunity to interrogate the axis to improve patient outcomes.

In this report, ZnO nanoparticles (NPs) was synthesized by chemical method using Zinc Acetate dehydrate [Zn(CH3COO)2.2H2O)] as precursors and Ethanol and distilled water as solvent. Sodium hydroxide (NaOH) was used to maintain the pH and helps to establish the NPs. The NPs are characterized by XRD, UV-visible spectroscopy and SEM image analysis. The XRD characterization gives the polycrystalline nature of ZnO NPs with the size ~23 nm and ~27 nm calculated by Scherrer’s method and Williamson–Hall method respectively. The crystalline size of these NPs calculated using XRD pattern is validated by SEM image analysis. Using the UV-Visible spectrophotometer and Tauc plot method, the optical band gap of ZnO is found to be 3.35 eV. The uniform size distribution of NPs shown in SEM image and strong UV absorption shown in UV-Visible spectra indicate that thus prepared NPs are highly desirable for photo-catalytic activity and detection applications. BIBECHANA 19 (2022) 90-96

The present invention discloses an Universal Miniplate holder to hold and stabilize miniplate.

Blastocystis sp. is a globally distributed protozoan parasite with uncertain pathogenicity. Phenotypic variation in Blastocystis sp. suggests its adaptation; however, the phenotypic features of Blastocystis sp. ST3 from a distinct source of isolation is unknown. Blastocystis sp. isolated from individuals in urban and orang asli (indigenous population in Selangor, Malaysia) settlements were studied for phenotypic characteristics such as growth profile, morphology, ultrastructure, and resistance to harsh conditions. Subsequently, pathogenic potentials, such as in protease activity and the ability to stimulate the proliferation of cancer cells, were assessed. Higher parasite counts with granular and apoptotic forms were found in Blastocystis sp. from orang asli individuals. Cells with fuzzy coats and amoebic structures which seemingly implicate increased interaction with bacteria were seen predominantly in urban symptomatic persons. Also, Blastocystis sp. from orang asli isolates resisted harsh environments, suggesting longer co-adaptation to the hosts. Urban and orang asli symptomatic isolates possessed a predominance of only cysteine protease, whereas all the asymptomatic isolates showed significantly higher cysteine, serine, or aspartic protease activity. However, only solubilized antigen from urban symptomatic isolates showed significant stimulation of cancer cell proliferation. For the first time, our findings demonstrate significant phenotypic variation in a single subtype, ST3 of Blastocystis sp., isolated from urban and orang asli populations that are known to have distinct gut microbial compositions. The outcome emphasizes the importance of identifying people’s locations and lifestyles during sample collection before forming conclusions on the prevailing data and implicating subtypes to pathogenicity. The environment plays a significant role in Blastocystis sp. infection.

The molecular mechanism of the heme protein, hemoglobin (Hb) interaction with sulfa molecule, sulfadiazine (SDZ) has been investigated through spectroscopic, neutron scattering and molecular modeling techniques. Absorption and emission spectroscopic studies showed that SDZ molecules were bound to Hb protein, non-cooperatively. The binding affinityof SDZ-Hb complex at standard experimental condition was evaluated to be around (4.2 ± 0.07) ×10 4 , M -1 with 1:1 stoichiometry. Drug induced structural perturbation of the 3 D protein moiety was confirmed through circular dichroism (CD), synchronous fluorescence and small angle neutron scattering methods. From the temperature dependent spectrofluorometric studies, the negative standard molar Gibbs energy change suggested the spontaneity of the reaction. The negative enthalpy and positive entropy change(s) indicated towards the involvement of both electrostatic and hydrophobic forces during the association process. Salt dependent fluorescence study revealed major contributions from non-poly-electrolytic forces. Molecular modeling studies determined the probable binding sites, types of interaction involved and the conformational alteration of the compactness of the Hb structure upon interaction with SDZ molecule. Overall, the study provides detailed insights into the binding mechanism of SDZ antibiotics to Hb protein.Communicated by Ramaswamy H. Sarma.

Drug repurposing has been gaining increasing interest recently due to the reduction in development cost and reduced development timelines. Here, we report the antibacterial activity of the anticancer drug etoposide investigated in combination with the eggshell-derived hydroxyapatite (EHA). Hydroxyapatite (HA) is a well-known bioactive material with enhanced osteoconductivity and possesses superior drug delivery properties. In the present work, we have synthesized etoposide-loaded EHA by the wet precipitation method. The physicochemical characterization of the samples confirmed the composition and amount of drug encapsulation. Screening for antibacterial activity confirmed the antibacterial effect of etoposide against Staphylococcus aureus . Biofilm formation test on pristine and etoposide-loaded samples showed the inhibition of biofilm formation on etoposide loading, which was further studied by confocal laser scanning microscopy (CLSM) and colony forming units (CFUs). It has been found that etoposide-loaded HA exhibited a sustained release of the drug upto 168 h. Analysis of the inhibition mechanism of etoposide against S. aureus revealed damage to the cell membrane and has been quantified using flow cytometry by the uptake of propidium iodide. Etoposide-loaded eggshell-derived HA (EHA-ET) exhibited excellent bioactivity and cytocompatibility against mouse fibroblast cells (L929) and supressed the growth of osteosarcoma cells (MG-63). Our studies reveal that the EHA-ET has a great potential for treating osteosarcoma and osteomyelitis.

Protein-ligand interaction studies are useful to determine the molecular mechanism of the binding phenomenon, leading to the establishment of the structure-function relationship. Here, we report the binding of well-known antibiotic sulfonamide drugs (sulfamethazine, SMZ; and sulfadiazine, SDZ) with heme protein myoglobin (Mb) using spectroscopic, calorimetric, ζ potential, and computational methods. Formation of a 1:1 complex between the ligand and Mb through well-defined equilibrium was observed. The binding constants obtained between Mb and SMZ/SDZ drugs were on the order of 10 4 M -1 . SMZ with two additional methyl (-CH 3 ) substitutions has higher affinity than SDZ. Upon drug binding, a notable loss in the helicity (via circular dichroism) and perturbation of the three-dimensional (3D) protein structure (via infrared and synchronous fluorescence experiments) were observed. The binding also indicated the dominance of non-polyelectrolytic forces between the amino acid residues of the protein and the drugs. The ligand-protein binding distance signified high probability of energy transfer between them. Destabilization of the protein structure upon binding was evident from differential scanning calorimetry results and ζ potential analyses. Molecular docking presented the best probable binding sites of the drugs inside protein pockets. Thus, the present study explores the potential binding characteristics of two sulfonamide drugs (with different substitutions) with myoglobin, correlating the structural and energetic aspects., Competing Interests: The authors declare no competing financial interest., (© 2022 The Authors. Published by American Chemical Society.)