Direct synthesis, characterization, in vitro and in silico studies of simple chalcones as potential antimicrobial and antileishmanial agents.

Chalcone represents a vital biosynthetic scaffold owing to its numerous therapeutic effects. The present study was intended to synthesize 17 chalcone derivatives (3a-q) by direct coupling of substituted acetophenones and benzaldehyde. The target chalcones were characterized by spectroscopic analyses followed by their in vitro antimicrobial, and antileishmanial investigations with reference to standard drugs. The majority of the chalcones displayed good to excellent biological activities. Chalcone 3q (1000 µg ml-1) exhibited the most potent antibacterial effect with its zone of inhibition values of 30, 33 and 34 mm versus Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa respectively. The results also confirmed chalcone 3q to be the most potent versus Leishmania major with the lowest IC50 value of 0.59 ± 0.12 µg ml-1. Chalcone 3i (500 µg ml-1) was noticed to be the most potent antifungal agent with its zone of inhibition being 29 mm against Candida albicans. Computational studies of chalcones 3i and 3q supported the preliminary in vivo results. The existence of the amino moiety and bromine atom on ring-A and methoxy moieties on ring-B caused better biological effects of the chalcones. In brief, the investigations reveal that chalcones (3i and 3q) can be employed as building blocks to discover novel antimicrobial agents.

Meckel's "Wallet": A Unique Case of Intestinal Obstruction.

While bowel obstruction is the most common surgical disorder of the small intestine, small bowel obstruction due to Meckel's diverticulum is a relatively rare occurrence. We encountered a compelling case of small bowel obstruction that turned out to be more complex than anticipated, involving a Meckel's diverticulum with some unforeseen findings. We followed standard guidelines for history-taking, examination, investigations, and management of the intestinal obstruction. After exhausting conservative treatment options, we opted for surgical intervention, and the unexpected cause of the obstruction took us by surprise. This case report highlights an exceedingly rare entity: Meckel's diverticulum precipitating uncommon complications.

Performance of a Ship-Based Cupronickel Alloy in Exposure Conditions of Arabian Seawater-A Comparative Study.

Cupronickel-based alloys are widely known for their excellent resistance against aqueous corrosion, however, they can be susceptible to corrosion at accelerated rates and premature failure when exposed to a polluted or brackish seawater medium, even for short-term exposure durations. This unfamiliar corrosion behavior may be a result of the formation of an unprotected corrosion film during the early exposure durations. The paper investigates the corrosion phenomenon in cupronickel 90/10 alloy, by exposing the coupons in two different seawater compositions in the Arabian Sea region. Corrosion losses were investigated on the experimental coupons in a submerged position, for a maximum exposure duration of 150 days, using the conventional weight loss method and a new dimensional metrology-based measurement technique. Additionally, in this research the tubes of a marine heat exchanger having similar material that failed prematurely during operation in the Arabian Sea were also investigated for corrosion losses, followed by the characterization of the corrosion deposits using following analytical techniques: SEM, EDS, XRD and Raman Scattering. The experimental results showed significantly higher corrosion losses on coupons exposed to seawater site rich in pollutants and nutrients including dissolved inorganic nitrogenous compounds, compared to those subjected to a natural seawater solution in corrosion tanks maintained in a controlled environment.

Antibacterial and anti-biofilm activities of antibiotic-free phosphatidylglycerol/docosahexaenoic acid lamellar and non-lamellar liquid crystalline nanoparticles.

Infectious diseases, particularly those associated with biofilms, are challenging to treat due to an increased tolerance to commonly used antibiotics. This underscores the urgent need for innovative antimicrobial strategies. Here, we present an alternative simple-by-design approach focusing on the development of biocompatible and antibiotic-free nanocarriers from docosahexaenoic acid (DHA) that has the potential to combat microbial infections and phosphatidylglycerol (DOPG), which is attractive for use as a biocompatible prominent amphiphilic component of Gram-positive bacterial cell membranes. We assessed the anti-bacterial and anti-biofilm activities of these nanoformulations (hexosomes and vesicles) against S. aureus and S. epidermidis, which are the most common causes of infections on catheters and medical devices by different methods (including resazurin assay, time-kill assay, and confocal laser scanning microscopy on an in vitro catheter biofilm model). In a DHA-concentration-dependent manner, these nano-self-assemblies demonstrated strong anti-bacterial and anti-biofilm activities, particularly against S. aureus. A five-fold reduction of the planktonic and a four-fold reduction of biofilm populations of S. aureus were observed after treatment with hexosomes. The nanoparticles had a bacteriostatic effect against S. epidermidis planktonic cells but no anti-biofilm activity was detected. We discuss the findings in terms of nanoparticle-bacterial cell interactions, plausible alterations in the phospholipid membrane composition, and potential penetration of DHA into these membranes, leading to changes in their structural and biophysical properties. The implications for the future development of biocompatible nanocarriers for the delivery of DHA alone or in combination with other anti-bacterial agents are discussed, as novel treatment strategies of Gram-positive infections, including biofilm-associated infections.

A review on titanium oxide nanoparticles modified metal-organic frameworks for effective CO2 conversion and efficient wastewater remediation.

Environmental pollution has been increasing since last decade due to increasing industrialisation and urbanisation. Various kinds ofenvironmental pollutants including carbon dioxide (CO2), dyes, pharmaceuticals, phenols, heavy metals along with many organic and inorganic species have been discovered in the various environmental compartments which possess harmful impacts tox human health, wildlife, and ecosystems. Thus, various efforts have been made through regulations, technological advancements, and public awareness campaigns to reduce the impact of the pollution. However, finding suitable alternatives to mitigate their impacts remained a challenge. Metal-organic frameworks (MOFs) are one of the advanced materials with unique features such as high porosity and stability which exhibit versatile applications in environmental remediation. Their composites with titanium oxide nanoparticles (TiO2) have been discovered to offer potential feature such as light harvesting capacity and catalytic activity. The composite integration and properties have been confirmed through characterization using surface area analysis, scanning electron/transmission electron microscopy, atomic force microscopy, fourier transformed infrared spectroscopy, X-ray diffraction analysis, X-ray photoelectron spectroscopy, thermogravimetric analysis, and others. Thus, this work rigorously discussed potential applications of the MOF@TiO2 nanomaterials for the CO2 capture and effective utilization in methanol, ethanol, acetone, acetaldehyde, and other useful products that served as fuel to various industrial processes. Additionally, the work highlights the effective performance of the materials towards photocatalytic degradation of both organic and inorganic pollutants with indepth mechanistic insights. The article will offer significant contribution for the development of sustainable and efficient technologies for the environmental monitoring and pollution mitigation.

Biosynthesis of copper nanoparticles using Alstonia scholaris leaves and its antimicrobial studies.

The utilization of plants for the production of metallic nanoparticles is gaining significant attention in research. In this study, we conducted phytochemical screening of Alstonia scholaris (A. scholaris) leaves extracts using various solvents, including chloroform, ethyl acetate, n-hexane, methanol, and water. Our findings revealed higher proportions of flavonoids and alkaloids in both solvents compared to other phytochemical species. In the methanol, extract proteins, anthraquinone and reducing sugar were not detected. On the other hand, the aqueous extract demonstrated the presence of amino acids, reducing sugar, phenolic compounds, anthraquinone, and saponins. Notably, ethyl acetate and chloroform extracts displayed the highest levels of bioactive compounds among all solvents. Intrigued by these results, we proceeded to investigate the antibacterial properties of the leaf extracts against two major bacterial strains, Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). All extracts exhibited significant zones of inhibition against both bacterial isolates, with S. aureus showing higher susceptibility compared to E. coli. Notably, the methanol extract displayed the most potent I hibitory effect against all organisms. Inspired by the bioactivity of the methanol extract, we employed it as a plant-based material for the green synthesis of copper nanoparticles (Cu-NPs). The synthesized Cu-NPs were characterized using Fourier infrared spectroscopy (FT-IR), UV-visible spectroscopic analysis, and scanning electron microscopy (SEM). The observed color changes confirmed the successful formation of Cu-NPs, while the FTIR analysis matched previously reported peaks, further verifying the synthesis. The SEM micrographs indicated the irregular shapes of the surface particles. From the result obtained by energy dispersive X-ray spectroscopic analysis, Cu has the highest relative abundance of 67.41 wt%. Confirming the purity of the Cu-NPs colloid. These findings contribute to the growing field of eco-friendly nanotechnology and emphasize the significance of plant-mediated approaches in nanomaterial synthesis and biomedical applications.

Structural and functional analyses of an L-asparaginase from Geobacillus thermopakistaniensis.

Genome sequence of Geobacillus thermopakistaniensis contains an open reading frame annotated as a type II L-asparaginase (ASNaseGt). Critical structural analysis disclosed that ASNaseGt might be a type I L-asparaginase. In order to determine whether it is a type I or type II L-asparaginase, we have performed the structural-functional characterization of the recombinant protein as well as analyzed the localization of ASNaseGt in G. thermopakistaniensis. ASNaseGt exhibited optimal activity at 52 °C and pH 9.5. There was a > 3-fold increase in activity in the presence of ß-mercaptoethanol. Apparent Vmax and Km values were 2735 U/mg and 0.35 mM, respectively. ASNaseGt displayed high thermostability with >80 % residual activity even after 6 h of incubation at 55 °C. Recombinant ASNaseGt existed in oligomeric form. Addition of ß-mercaptoethanol lowered the degree of oligomerization and displayed that tetrameric form was the most active, with a specific activity of 4300 U/mg. Under physiological conditions, ASNaseGt displayed >50 % of the optimal activity. Localization studies in G. thermopakistaniensis revealed that ASNaseGt is a cytosolic protein. Structural and functional characterization, and localization in G. thermopakistaniensis displayed that ASNaseGt is not a type II but a type I L-asparaginase.

Biological investigations of Aspergillus ficuum via in vivo, in vitro and in silico analyses.

Serious human health impacts have been observed worldwide due to several life-threatening diseases such as cancer, candidiasis, hepatic coma, and gastritis etc. Exploration of nature for the treatment of such fatal diseases is an area of immense interest for the scientific community. Based on this idea, the genus Aspergillus was selected to discover its hidden therapeutic potential. The genus Aspergillus is known to possess several biologically active compounds. The current research aimed to assess the biological and pharmacological potency of the extracts of less-studied Aspergillus ficuum (FCBP-DNA-1266) (A. ficuum) employing experimental and bioinformatics approaches. The disc diffusion method was used for the antifungal investigation, and the MTT assay was performed to assess the anticancer effects. Mice were employed as an in vivo model to evaluate the antispasmodic effects. A standard spectrophotometric technique was applied to gauge the urease inhibitory activity. The antifungal studies indicate that both n-hexane and ethyl acetate extracts were significantly active against Candida albicans (C. albicans) with their zone of inhibitions (ZOI) values reported as 19 ± 1.06 mm and 25 ± 0.55 mm, respectively at a dose of 30 µg.mL-1. In vitro cytotoxicity assay against HeLa, fibroblast 3T3, prostate PC3, and breast MCF-7 cancer cell lines was performed. The ethyl acetate extract of A. ficuum was found to be significantly active against MCF-7 with its IC50 value of 43.88 µg.mL-1. However, no substantial effects on the percent cell death of HeLa cancer cell lines were observed. In addition, the A. ficuum extracts also inhibited the urease enzyme compared to standard thiourea. The antispasmodic activity of A. ficuum extract was assessed by an in vivo model and the results demonstrated promising activity at 150 mg.kg-1. Molecular docking results also supported the antifungal, anticancer, and antiurease potency of A. ficuum extract. Overall, the results display promising aspects of A. ficuum extract as a future pharmacological source.

Antifouling and Water Flux Enhancement in Polyethersulfone Ultrafiltration Membranes by Incorporating Water-Soluble Cationic Polymer of Poly [2-(Dimethyl amino) ethyl Methacrylate].

Novel ultrafiltration (UF) polymer membranes were prepared to enhance the antifouling features and filtration performance. Several ultrafiltration polymer membranes were prepared by incorporating different concentrations of water-soluble cationic poly [2-(dimethyl amino) ethyl methacrylate] (PDMAEMA) into a homogenous casting solution of polyethersulfone (PES). After adding PDMAEMA, the effects on morphology, hydrophilicity, thermal stability, mechanical strength, antifouling characteristics, and filtration performance of these altered blended membranes were investigated. It was observed that increasing the quantity of PDMAEMA in PES membranes in turn enhanced surface energy, hydrophilicity, and porosity of the membranes. These new modified PES membranes, after the addition of PDMAEMA, showed better filtration performance by having increased water flux and a higher flux recovery ratio (FRR%) when compared with neat PES membranes. For the PES/PDMAEMA membrane, pure water flux with 3.0 wt.% PDMAEMA and 0.2 MPa pressure was observed as (330.39 L·m-2·h-1), which is much higher than that of the neat PES membrane with the value of (163.158 L·m-2·h-1) under the same conditions. Furthermore, the inclusion of PDMAEMA enhanced the antifouling capabilities of PES membranes. The total fouling ratio (TFR) of the fabricated PES/PDMAEMA membranes with 3.0 wt.% PDMAEMA at 0.2 MPa applied pressure was 36 percent, compared to 64.9 percent for PES membranes.

Coupling hydrogeochemistry and stable isotopes (δ2H, δ18O and δ13C) to identify factors affecting arsenic enrichment of surface water and groundwater in Precambrian sedimentary rocks, eastern salt range, Punjab, Pakistan.

The study area is a part of the Salt Range, where water quality is being deteriorated by natural and anthropogenic sources. This research integrates water quality assessment, arsenic enrichment, hydrogeochemical processes, groundwater recharge and carbon sources in aquifer. Total dissolved solid (TDS) contents in springs water, lake water and groundwater are in range of 681-847 mg/L, 2460-5051 mg/L and 513-7491 mg/L, respectively. The higher concentrations of magnesium and calcium in water bodies next to sodium are because of carbonates, sulfates, halite and silicates dissolution. The average concentrations of ions in groundwater are in order of HCO3- > SO42- > Cl- > Na+ > Mg2+ > Ca2+ > K+ > NO3-, virtually analogous to springs water, but different from lake water, categorized as poor quality and unfit for drinking purposes. Based on major ions hydrochemistry, NaCl and mixed Ca-Mg-Cl type hydrochemical facies are associated with concentration of arsenic (4.2-39.5 µg/L) in groundwater. Groundwater samples (70%) having arsenic concentration (11 ≤ As ≤ 39.5 µg/L) exceeded from World Health Organization (WHO) guideline (As ≤ 10 µg/L) in near neutral to slightly alkaline (6.7 ≤ pH ≤ 8.3), positive Eh(6 ≤ Eh ≤ 204 mV), signifying its oxic condition. Eh-pH diagrams for arsenic and iron indicate that 80% of groundwater for arsenic and iron were in compartments of HAsO42- and Fe(OH)3, unveil oxic environment. Arsenic is moderately positive correlated with TDS, sodium, chloride, bicarbonate, nitrate, sulfate and weak negative with δ13CDIC in surface and groundwater, forecasting multiple sources of arsenic to aquifer. Stable isotopes of waters show recharge of groundwater from local rain and lake water. The lower δ13CDIC values of groundwater are modified by influx of CO2 produced during biological oxidation of soil natural organic matter.

Structural and functional analyses of Pcal_0917, an α-glucosidase from hyperthermophilic archaeon Pyrobaculum calidifontis.

Genome analysis of Pyrobaculum calidifontis revealed the presence of α-glucosidase (Pcal_0917) gene. Structural analysis affirmed the presence of signature sequences of Type II α-glucosidases in Pcal_0917. We have heterologously expressed the gene and produced recombinant Pcal_0917 in Escherichia coli. Biochemical characteristics of the recombinant enzyme resembled to that of Type I α-glucosidases, instead of Type II. Recombinant Pcal_0917 existed in a tetrameric form in solution and displayed highest activity at 95 °C and pH 6.0, independent of any metal ions. A short heat-treatment at 90 °C resulted in a 35 % increase in enzyme activity. A slight structural shift was observed by CD spectrometry at this temperature. Half-life of the enzyme was >7 h at 90 °C. Pcal_0917 exhibited apparent Vmax values of 1190 ± 5 and 3.9 ± 0.1 U/mg against p-nitrophenyl α-D-glucopyranoside and maltose, respectively. To the best of our knowledge, Pcal_0917 displayed the highest ever reported p-nitrophenyl α-D-glucopyranosidase activity among the characterized counterparts. Moreover, Pcal_0917 displayed transglycosylation activity in addition to α-glucosidase activity. Furthermore, in combination with α-amylase, Pcal_0917 was capable of producing glucose syrup from starch with >40 % glucose content. These properties make Pcal_0917 a potential candidate for starch hydrolyzing industry.

Thiophene-Derived Schiff Base Complexes: Synthesis, Characterization, Antimicrobial Properties, and Molecular Docking.

Novel thiophene-derived Schiff base ligand DE, where DE is (E)-N1,N1-diethyl-N2-(thiophen-2-ylmethylene)ethane-1,2-diamine, and the corresponding M(II) complexes, [M(DE)X2] (M = Cu or Zn, X = Cl; M = Cd, X = Br), were prepared and structurally characterized. X-ray diffraction studies revealed that the geometry around the center of the M(II) complexes, [Zn(DE)Cl2] and [Cd(DE)Br2], could be best described as a distorted tetrahedral. In vitro antimicrobial screening of DE and its corresponding M(II) complexes, [M(DE)X2], was performed. The complexes were more potent and showed higher activities against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa, fungi Candida albicans, and protozoa Leishmania major compared to the ligand. Among the studied complexes, [Cd(DE)Br2] exhibited the most promising antimicrobial activity against all the tested microbes compared to its analogs. These results were further supported by molecular docking studies. We believe that these complexes may significantly contribute to the efficient designing of metal-derived agents to treat microbial infections.

A systematic review and meta-analysis of the use of methylene blue to improve the lymph node harvest in rectal cancer surgery.

BACKGROUND: Methylene blue staining of the resected specimen has been described as an alternative to the conventional palpation and visual inspection method to improve lymph node harvest. This meta-analysis evaluates the usefulness of this technique in surgery for rectal cancer, particularly after neoadjuvant therapy. METHODS: Randomized controlled trials (RCTs) comparing lymph node harvest in methylene blue-stained rectal specimens to those of unstained specimens were identified from the Medline, Embase, and Cochrane databases. Non-randomized studies and those with only colonic resections were excluded. The quality of RCTs was assessed using Cochrane's risk of bias tool. A weighted mean difference (WMD) was calculated for overall harvest, harvest after neoadjuvant therapy, and metastatic nodal yield. In contrast, the risk difference (RD) was calculated to compare yields of less than 12 lymph nodes between the stained and unstained specimens. RESULTS: Study selection comprised seven RCTs with 343 patients in the unstained group and 337 in the stained group. Overall lymph node harvest and harvest after neoadjuvant therapy were significantly higher in stained specimens with a WMD of 13.4 and 10.6 and a 95% confidence interval (CI) of 9.5-17.2 and 4.8-16.3, respectively. Harvest of metastatic lymph nodes was significantly higher in the stained group (WMD 1.0, 95% CI 0.6-1.4). The yield of less than 12 lymph nodes was significantly higher in the unstained group with RD of 0.292 and 95% CI of 0.182-0.403. CONCLUSION: Despite a small number of patients, this meta-analysis confirms improved lymph node harvest in surgical specimens stained with methylene blue compared with unstained specimens.

Probing the behavior and kinetic studies of amphiphilic acrylate copolymers with bovine serum albumin.

This article presents that acrylate copolymers are the potential candidate against the adsorption of bovine serum albumin (BSA). A series of copolymers poly(methyl methacrylate) (pMMA), poly(3-sulfopropyl methacrylate-co-methyl methacrylate) p(SPMA-co-MMA), and poly(dimethylaminoethyl methacrylate-co-methyl methacrylate) p(DMAEMA-co-MMA) were synthesized via free radical polymerization. These amphiphilic copolymers are thermally stable with a glass transition temperature (Tg) 50-120 °C and observed the impact of surface charge on amphiphilic copolymers to control interactions with the bovine serum albumin (BSA). These copolymers pMD1 and pMS1 have surface charges, - 56.6 and - 72.6 mV at pH 7.4 in PBS buffer solution that controls the adsorption capacity of bovine serum albumin (BSA) on polymers surface. Atomic force microscopy (AFM) analysis showed minimum roughness of 0.324 nm and 0.474 nm for pMS1 and pMD1. Kinetic studies for BSA adsorption on these amphiphilic copolymers showed the best fitting of the pseudo-first-order model that showed physisorption and attained at 25 °C and pH 7.4 within 24 h.

The Synergistic Effect of Polystyrene/Modified Boron Nitride Composites for Enhanced Mechanical, Thermal and Conductive Properties.

Thermal conductivity (TC) and thermal stability are the basic requirements and highly desirable properties in thermal management, heat storage and heat transfer applications. This work is regarding the fabrication of polystyrene/boron nitride composites and melt extruded to produce good thermal stability, increased thermal conductivity and enhanced mechanical properties. Our strategy is potentially applicable to produce thermally conductive composites of low cost over large scale. Boron nitride powder is bath sonicated in 10% NH3 solution to avoid its agglomeration and tendency toward entanglement in a polymer matrix. An approximately 67.43% increase in thermal conductivity and 69.37% increase in tensile strength as well as 56 multiple increases in thermal stability of the optimum samples were achieved. The developed polymeric composites are potentially applicable in the electronic industry, especially in electronic devices used for 5G, heat sink and several other aviation applications.

Global energy markets connectedness: evidence from time-frequency domain.

We examine the presence of dependence across 51 energy markets classified into different regions from Jan 2007 to June 2021. In order to examine the presence of dependence across different energy markets, we apply standard and threshold dependence measures proposed by Diebold and Yilmaz, Int J Forecast 28:57-66, (2012) and Baruník and Krehlík, J Financ Econ 16(2):271-296, (2018). We highlight the presence of strong dependence between the energy markets at both regional level and across other regions. European and American energy markets are highly connected within the region over the long-run whereas Asia-Pacific and the African energy markets offer optimal diversification opportunities. Both short- and long-run dependence exists between Chinese and the Hong Kong energy markets and between the US and Canadian energy markets. We also witness substantial increase dependence across all the energy markets during different crisis periods.

Effectiveness Of Pcr Pool Testing For Screening Of Covid-19 Infection In Pakistan.

BACKGROUND: We tested the utility of mini-pool PCR testing for the rational use of PCR consumables in screening for CoViD-19. METHODS: After pilot experiments, 3-samples pool size was selected. One step RT-PCR was performed. The samples in the mini-pool having COVID gene amplification were tested individually. RESULTS: 1548 samples tested in 516 mini-pools resulted 396 mini-pools as negative and 120 as positive. Upon individual testing, 110 samples tested positive and 9 were inconclusive. 876 PCR reactions were performed to test 1548 samples, saving 43% PCR reagents. Centres with low prevalence resulted in most saving on reagents (50%), while centres with high prevalence resulted in more test reactions. Testing of individual samples resulted in delays in reporting. CONCLUSIONS: Pooling can increase lab capacity, however, pooling delays results and cause degradation of samples.