miR-221 and Parkinson's disease: A biomarker with therapeutic potential.

Parkinson's disease (PD) is a neurodegenerative disorder characterized by the loss of dopaminergic neurons in the substantia nigra, leading to various motor and non-motor symptoms. Several cellular and molecular mechanisms such as alpha-synuclein (α-syn) accumulation, mitochondrial dysfunction, oxidative stress and neuroinflammation are involved in the pathogenesis of this disease. MicroRNAs (miRNAs) play important roles in post-transcriptional gene regulation. They are typically about 21-25 nucleotides in length and are involved in the regulation of gene expression by binding to the messenger RNA (mRNA) molecules. miRNAs like miR-221 play important roles in various biological processes, including development, cell proliferation, differentiation and apoptosis. miR-221 promotes neuronal survival against oxidative stress and neurite outgrowth and neuronal differentiation. Additionally, the role of miR-221 in PD has been investigated in several studies. According to the results of these studies, (1) miR-221 protects PC12 cells against oxidative stress induced by 6-hydroxydopamine; (2) miR-221 prevents Bax/caspase-3 signalling activation by stopping Bim; (3) miR-221 has moderate predictive power for PD; (4) miR-221 directly targets PTEN, and PTEN over-expression eliminates the protective action of miR-221 on p-AKT expression in PC12 cells; and (5) miRNA-221 controls cell viability and apoptosis by manipulating the Akt signalling pathway in PD. This review study suggested that miR-221 has the potential to be used as a clinical biomarker for PD diagnosis and stage assignment.

Multi-gigabit X-band transmitter for satellite communication using the optical phase-locked loop.

Optical generation of microwave signals using photonic techniques offers benefits of frequency agility, ease of frequency scaling, and reduced hardware complexity. We demonstrate the generation and detection of QPSK modulated with symbol rates up to 5 GBaud at carrier frequencies of 8-12 GHz through optical heterodyning of two-phase-locked lasers. The received data is demodulated through appropriate post-processing to correct for the phase noise and IQ imbalance. The approach is scalable to mmWave and THz communication.

Polytyrosine-Coated Paper Electrode for Sensitive and Selective Sensing of NADH.

Reduced nicotinamide adenine dinucleotide (NADH)-detecting electrochemical sensors are attractive in monitoring and diagnosing various physiological disorders of NADH abnormalities. The NADH detection methods using conventional electrodes are challenging due to slow electron transfer and fouling effect. Interestingly, paper-based flexible and disposable electrodes (PE) are superior for sensing biomolecules through simple detection procedures with excellent sensitivity and selectivity. Herein, to construct a conducting polypeptide-modified paper electrode, initially, polytyrosine (PTyr) is synthesized from l-tyrosine N-carboxy anhydride through ring-opening polymerization, and PTyr is drop-coated on the PE. The PTyr-modified paper electrode (PMPE) demonstrated excellent electrochemical properties and facilitated the electrooxidation of NADH at a lower potential of 576 mV. The PMPE displayed a linear detection between 25 and 145 µM of NADH concentration, with a lower detection limit of 0.340 µM. Under ideal circumstances, the sensor developed displayed an excellent NADH detection capability without interference with the most common electroactive species, ascorbic acid. The PMPE facilitates good electrocatalytic activity toward NADH, which can also be employed as a substrate material for biofuel cells.

Simple and Cost-effective Synthesis of a Rare-earth Free Long Afterglow Phosphor for Dark Visual Markings.

Materials with long afterglow (LAG) became very renowned in the field of luminescence due to their high ability to store energy. However, the development of LAG phosphors is mostly dependent on rare-earth activators, which are commercially expensive due to their limited availability across the world. On the other hand, LAG phosphors that are not based on rare-earth and are developed as an alternative cannot compete with existing rare-earth LAG phosphors. Copper-doped zinc sulfide (ZnS:Cu) phosphor developed long ago has considerable afterglow, but its development has been too tedious, and expensive, and contains usage of toxic gasses such as H2S, CS2, etc. and most of the literature refers to the cubic phase of ZnS. To overcome these issues and simplify the process, we have developed a cost-effective approach to synthesize the hexagonal phase of ZnS, without the involvement of hazardous gases. This is one of the very few reports that highlights the appearance of LAG phenomenon from the hexagonal ZnS:Cu phosphor system. Structural, morphological, and optical studies of the developed ZnS:Cu LAG phosphor have been carried out. The phosphor showed a strong green photoluminescence at 515 nm and an afterglow duration of ~ 1 h useful for specific applications of visual markings in dark conditions. The thermoluminescence spectrum shows a broad and intense glow peak at 377.15 K that indicates the electron trap depth to be at 0.75 eV, supporting our afterglow results.

Gastric sleeve as an extra-anatomical roux for biliary reconstruction in a pediatric third liver transplant.

BACKGROUND: Sir Roy Calne in 1976 described "Biliary reconstruction is the Achilles heel of liver transplantation," and it remains true. In some patients, such as those with short-gut syndrome and concomitant biliary atresia, neither duct to duct nor Roux biliary reconstruction is feasible. METHODS: We present a case of child's third liver transplant (LT), where an innovative extra-anatomical biliary bypass was created using a sleeve from greater curvature of the stomach. RESULTS: The patient is well nearly 10 years following the LT. CONCLUSIONS: This technique could prove to be an important addition to the armamentarium of a surgeon in difficult retransplants and in patients with short-gut syndrome as it provides a viable option with good long-term outcome.

Effect of walnut consumption on markers of endothelial function in adults: A systematic review and meta-analysis of randomized controlled trials.

Findings on the effect of walnut consumption on endothelial function are conflicting. Therefore, the present systematic review and meta-analysis summarized available trials in this regard. A systematic search was performed in online databases including PubMed-Medline, Scopus, and ISI Web of Science up to October 2023. Articles that reported the effect of walnut intake on flow-mediated dilation (FMD), intercellular adhesion molecule-1 (ICAM-1), vascular cell adhesion molecule-1 (VCAM-1), and stimulus-adjusted response measure (SARM) were included. Random effects models for a weighted mean difference (WMD) or standardized mean difference (SMD) were used to test for the overall effect. Six eligible trials were analyzed (250 participants). Walnut intake significantly increased FMD (WMD: 0.94%, 95% CI: 0.12 to 1.75; p = 0.02). However, meta-analysis could not show any beneficial effect of walnut intake on ICAM-1 (SMD: -0.23, 95% CI: -0.68 to 0.22; p = 0.31), VCAM-1 (SMD: -0.02, 95% CI: -1.38 to 1.34; p = 0.97), and SARM (WMD: 0.01%, 95% CI: -0.01 to 0.04; p = 0.28). In conclusion, the present meta-analysis suggests that walnuts may reduce cardiovascular disease risk by improving FMD. However, further studies should be performed on adults to determine the effect of walnut intake on endothelial function.

Radioactive seed localization is a safe and effective tool for breast cancer surgery: an evaluation of over 25,000 cases.

Radioactive seed localization (RSL) provides a precise and efficient method for removing non-palpable breast lesions. It has proven to be a valuable addition to breast surgery, improving perioperative logistics and patient satisfaction. This retrospective review examines the lessons learned from a high-volume cancer center's RSL program after 10 years of practice and over 25 000 cases. We provide an updated model for assessing the patient's radiation dose from RSL seed implantation and demonstrate the safety of RSL to staff members. Additionally, we emphasize the importance of various aspects of presurgical evaluation, surgical techniques, post-surgical management, and regulatory compliance for a successful RSL program. Notably, the program has reduced radiation exposure for patients and medical staff.

British Society of Gastroenterology guidelines for the diagnosis and management of cholangiocarcinoma.

These guidelines for the diagnosis and management of cholangiocarcinoma (CCA) were commissioned by the British Society of Gastroenterology liver section. The guideline writing committee included a multidisciplinary team of experts from various specialties involved in the management of CCA, as well as patient/public representatives from AMMF (the Cholangiocarcinoma Charity) and PSC Support. Quality of evidence is presented using the Appraisal of Guidelines for Research and Evaluation (AGREE II) format. The recommendations arising are to be used as guidance rather than as a strict protocol-based reference, as the management of patients with CCA is often complex and always requires individual patient-centred considerations.

Independent endothelial functions of PIEZO1 and TRPV4 in hepatic portal vein and predominance of PIEZO1 in mechanical and osmotic stress.

BACKGROUND & AIMS: PIEZO1 and TRPV4 are mechanically and osmotically regulated calcium-permeable channels. The aim of this study was to determine the relevance and relationship of these channels in the contractile tone of the hepatic portal vein, which experiences mechanical and osmotic variations as it delivers blood to the liver from the intestines, gallbladder, pancreas and spleen. METHODS: Wall tension was measured in freshly dissected portal veins from adult male mice, which were genetically unmodified or modified for either a non-disruptive tag in native PIEZO1 or endothelial-specific PIEZO1 deletion. Pharmacological agents were used to activate or inhibit PIEZO1, TRPV4 and associated pathways, including Yoda1 and Yoda2 for PIEZO1 and GSK1016790A for TRPV4 agonism, respectively. RESULTS: PIEZO1 activation leads to nitric oxide synthase- and endothelium-dependent relaxation of the portal vein. TRPV4 activation causes contraction, which is also endothelium-dependent but independent of nitric oxide synthase. The TRPV4-mediated contraction is suppressed by inhibitors of phospholipase A2 and cyclooxygenases and mimicked by prostaglandin E2 , suggesting mediation by arachidonic acid metabolism. TRPV4 antagonism inhibits the effect of agonising TRPV4 but not PIEZO1. Increased wall stretch and hypo-osmolality inhibit TRPV4 responses while lacking effects on or amplifying PIEZO1 responses. CONCLUSIONS: The portal vein contains independently functioning PIEZO1 channels and TRPV4 channels in the endothelium, the pharmacological activation of which leads to opposing effects of vessel relaxation (PIEZO1) and contraction (TRPV4). In mechanical and osmotic strain, the PIEZO1 mechanism dominates. Modulators of these channels could present important new opportunities for manipulating liver perfusion and regeneration in disease and surgical procedures.

Vanillic acid potentiates insulin secretion and prevents pancreatic ß-cells cytotoxicity under H2O2-induced oxidative stress.

BACKGROUND: Oxidative stress is known to impair cellular functions and, therefore, plays a significant role in the pathophysiology of various diseases, including diabetes. The persistently elevated glucose levels may cause enhanced mitochondrial reactive oxygen species generation, which in turn can damage the pancreatic ß-cells. In this study, we have investigated the effect of vanillic acid on preventing H2O2-induced ß-cells death and retaining its insulin secretion potentiating effect in the presence of H2O2. METHODS: The insulin secretion from the BRIN-BD11 cells was quantified using ELISA-based assays. The viability of the cells was assessed by estimated by the [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide] (MTT) colorimetric assay and DAPI staining. The expression levels of apoptotic and antioxidant proteins were estimated by western blot experiments. RESULTS: Vanillic acid protected pancreatic ß-cells viability and function under the H2O2 oxidative stress condition. The Erk1/2 activation appears to play an important role in vanillic acid potentiated insulin secretion and protection of the ß-cells in the presence of H2O2. Vanillic acid pretreated cells exhibited enhanced expression of antioxidant enzymes such as catalase and SOD-2 and reduced the expression of proapoptotic markers such as BAX and BAD. In addition, it also enhanced the expression of oxidative stress-sensitive transcription factor Nrf-2 and cell survival protein Akt. CONCLUSION: The present study shows that vanillic acid potentiates insulin secretion and protects pancreatic ß-cells from H2O2-induced oxidative stress.

First jejunal vein, jejunal trunk, and pancreatico-duodenectomy: resolving the literature conundrum.

A detailed knowledge of the surgical anatomy of tributaries of the superior mesenteric vein, especially proximal jejunal venous anatomy (first jejunal vein and jejunal trunk), is a key prerequisite for performing a safe pancreatico-duodenectomy. However, the available literature on the anatomical course and surgical relevance of these vessels is scarce, the nomenclature across the articles is heterogeneous, and the resulting evidence is confusing to interpret. Standardized terminology and an in-depth review of these vessels with regard to their course, termination, vascular relations, and variations will help the surgeons in planning and performing this complex surgery safely, especially when a venous resection and reconstruction is planned in cases of borderline resectable pancreatic cancer. A uniform nomenclature and a unifying classification are proposed in this review for these two tributaries to help resolve the literature conundrum. This standardized terminology and anatomical description will assist the radiologists in reporting pancreatic protocol-computed tomography scans and surgeons in selecting the appropriate steps for the different anatomical orientations of these tributaries for the performance of safe pancreatic surgery. This will also help future researchers communicate in well-defined terms in reference to these tributaries so as to avoid confusion in future studies.

Noninvasive treatment of psoriasis and skin rejuvenation using an akermanite-type narrowband emitting phosphor.

Psoriasis is a noncontagious, long-lasting skin infection that affects many people around the world. Numerous therapeutic artificial treatments are available for the treatment of psoriasis, such as photodynamic therapy using broadband ultraviolet (UV) lamps, which have harmful effects on human skin. Similarly, the natural healing systems such as sunlight have a higher risk of sunburn and can cause dangerous forms of skin cancer. Significant light emission of a specific wavelength (in the UV range), and phosphor-based devices demonstrate the effectiveness of treating psoriasis without damaging the skin. Gd3+ -doped calcium magnesium silicate [Ca2 MgSi2 O7 :Gd3+ ,(CMS:Gd3+ )] phosphor is one of the ideal phosphors that emit specific narrow UV wavelengths for curing psoriasis and is in great demand in the field of dermatology. Photoluminescence analysis at room temperature (~25°C) shows that the synthesized CMS:Gd3+ phosphor emits narrowband UV-B light with a peak intensity at 314 nm. Comparative studies of the standard action spectrum of psoriasis with the emission spectrum of the CMS:Gd3+ phosphor show that the synthesized phosphor was the most suitable material for treating a variety of diseases, including psoriasis, vitiligo, type-1 diabetes, dental disease, sleep and mood disorders, and other skin diseases.

Finite Element Modelling of a Gram-Negative Bacterial Cell and Nanospike Array for Cell Rupture Mechanism Study.

Inspired by nature, it is envisaged that a nanorough surface exhibits bactericidal properties by rupturing bacterial cells. In order to study the interaction mechanism between the cell membrane of a bacteria and a nanospike at the contact point, a finite element model was developed using the ABAQUS software package. The model, which saw a quarter of a gram-negative bacteria (Escherichia coli) cell membrane adhered to a 3 × 6 array of nanospikes, was validated by the published results, which show a reasonably good agreement with the model. The stress and strain development in the cell membrane was modeled and were observed to be spatially linear and temporally nonlinear. From the study, it was observed that the bacterial cell wall was deformed around the location of the nanospike tips as full contact was generated. Around the contact point, the principal stress reached above the critical stress leading to a creep deformation that is expected to cause cell rupture by penetrating the nanospike, and the mechanism is envisaged to be somewhat similar to that of a paper punching machine. The obtained results in this project can provide an insight on how bacterial cells of a specific species are deformed when they adhere to nanospikes, and how it is ruptured using this mechanism.

Impact of shield location on staff and caregiver dose rates for I-131 radiopharmaceutical therapy patients.

The goal of this study is to investigate the effect of the location and width of a single lead shield on the dose rate of staff and caregivers in a hospital room with an I-131 patient. The best orientation of the patient and caregiver relative to the shield was determined based on minimizing staff and caregiver radiation dose rates. Shielded and unshielded dose rates were simulated using a Monte Carlo computer simulation and validated using real-world ionisation chamber measurements. Based on a radiation transport analysis using an adult voxel phantom published by the International Commission on Radiological Protection, placing the shield near the caregiver yielded the lowest dose rates. However, this strategy reduced the dose rate in only a tiny area of the room. Furthermore, positioning the shield near the patient in the caudal direction provided a modest dose rate reduction while shielding a large room area. Finally, increased shield width was associated with decreasing dose rates, but only a four-fold dose-rate reduction was observed for standard width shields. The recommendations of this case study may be considered as potential candidate room configurations where radiation dose rates are minimized, however these findings must be weighed against additional clinical, safety, and comfort considerations.

Yield, water, and carbon footprint of rainfed rice production under the lens of mid-century climate change: a case study in the eastern coastal agro-climatic zone, Odisha, India.

Water and carbon footprint assessment can be a good indicator of sustainable agricultural production. The present research quantifies the potential impact of near-future (2026-2050) climate change on water footprint (WF) and carbon footprint (CF) of farm-level kharif rice production of three locally grown varieties (Khandagiri, Lalat, and Swarna) in Odisha, India, under the two RCP scenarios of 4.5 and 8.5. The crop yield, water resources utilization, and greenhouse gas (GHG) emissions were estimated using the calibrated and validated DSSAT crop simulation model. The precipitation and temperature estimates from three regional climate models (RCM), namely HadGEM3-RA, RegCM4, and YSU-RSM were downscaled using the quantile mapping method. The results revealed a considerably high increase in the total WF of the Khandagiri, Lalat, and Swarna rice varieties elevating up to 101.9%, 80.7%, and 71.8% respectively during the mid-century for RCP 4.5 scenario, and 67.3%, 66.6%, and 67.2% respectively for RCP 8.5 scenario relative to the baseline WF. Moreover, compared to the green WF, the blue WF was projected to increase significantly (~ 250-450%) in the future time scales. This could be attributed to increasing minimum temperature (~ 1.7 °C) and maximum temperature (~ 1.5 °C) and reduced precipitation during the rice-growing periods. Rice yield was projected to continually decline in the future period (2050) with respect to the baseline (1980-2015) by 18.8% and 20% under RCP 4.5 and 8.5 scenarios respectively. The maximum CF of Swarna, Lalat, and Khandagiri rice were estimated to be 3.2, 2.8, and 1.3 t CO2eq/t respectively under RCP 4.5 and 2.7, 2.4, and 1.3 t CO2eq/t respectively under RCP 8.5 scenario. Fertilizer application (40%) followed by irrigation-energy use (30%) and farmyard manure incorporation (26%) were the three major contributors to the CF of rice production. Subsequently, management of N-fertilizer dose was identified as the major mitigation hotspot, simultaneously reducing carbon footprint and grey water footprint in the crop production process.

Heritable anisotropy associated with cognitive impairments among patients with schizophrenia and their non-psychotic relatives in multiplex families.

BACKGROUND: To test the functional implications of impaired white matter (WM) connectivity among patients with schizophrenia and their relatives, we examined the heritability of fractional anisotropy (FA) measured on diffusion tensor imaging data acquired in Pittsburgh and Philadelphia, and its association with cognitive performance in a unique sample of 175 multigenerational non-psychotic relatives of 23 multiplex schizophrenia families and 240 unrelated controls (total = 438). METHODS: We examined polygenic inheritance (h2r) of FA in 24 WM tracts bilaterally, and also pleiotropy to test whether heritability of FA in multiple WM tracts is secondary to genetic correlation among tracts using the Sequential Oligogenic Linkage Analysis Routines. Partial correlation tests examined the correlation of FA with performance on eight cognitive domains on the Penn Computerized Neurocognitive Battery, controlling for age, sex, site and mother's education, followed by multiple comparison corrections. RESULTS: Significant total additive genetic heritability of FA was observed in all three-categories of WM tracts (association, commissural and projection fibers), in total 33/48 tracts. There were significant genetic correlations in 40% of tracts. Diagnostic group main effects were observed only in tracts with significantly heritable FA. Correlation of FA with neurocognitive impairments was observed mainly in heritable tracts. CONCLUSIONS: Our data show significant heritability of all three-types of tracts among relatives of schizophrenia. Significant heritability of FA of multiple tracts was not entirely due to genetic correlations among the tracts. Diagnostic group main effect and correlation with neurocognitive performance were mainly restricted to tracts with heritable FA suggesting shared genetic effects on these traits.

Effect of spatio-temporal variables, host fish species and on-farm biosecurity measures on the prevalence of potentially pathogenic Aeromonas species in freshwater fish farms.

AIMS: To determine the prevalence of Aeromonas species in freshwater fish farms, factors affecting their prevalence and virulence factors associated with each species. METHODS AND RESULTS: In a cross-sectional study from 128 farms in four districts of Uttar Pradesh, India, 11 species of Aeromonas were identified by gyrB sequencing including the first report of Aeromonas crassostreae from fish. Four species of Aeromonas were more prevalent (MP) in fish farms, A. veronii bv. sobria (50.0%) was the highest, followed by A. caviae (18.8%), A. veronii bv. veronii (11.7%) and A. dhakensis (7.0%). The less prevalent (LP) species were A. hydrophila, A. media, A. jandaei, A. allosaccharophila, A. salmonicida, A. crassostreae and A. taiwanensis. Spatial variation in the prevalence of Aeromonas species was observed. Dominance of biovar sobria ranged from 33.3 to 68.6%, notably lesser in farms with on-farm biosecurity measures. The prevalence of biovar veronii was significantly associated with pangas fish, rainy season and farms with on-farm biosecurity measures. The prevalence of LP species was significantly higher in mrigal fish and winter season. Multiple virulence factors (>6) were detected in 70.2% of the Aeromonas species. Significant association of ß-hemolysin, DNase, slime production, act, ahh1, aexT and lip was observed with different species of Aeromonas. Moreover, 75.8% of Aeromonas species possessed one or more enterotoxins genes (act/alt/ast). CONCLUSION: Significant association of spatio-temporal variables, host fish species and on-farm biosecurity measures were observed on the prevalence of some of the Aeromonas species in freshwater fish farms. Most of the Aeromonas species harboured virulence factors indicating their potential for pathogenicity. SIGNIFICANCE AND IMPACT OF THE STUDY: This is the first study that determined the prevalence and identified the factors that affect the prevalence of Aeromonas species in freshwater fish farms. This information will be useful in managing Aeromonas infection in fish and their risks to public health.

Monodon baculovirus (MBV) infects wild mud crab, Scylla serrata.

During a survey of farmed and wild crustaceans from India for viruses, spherical baculovirosis otherwise known as Penaeus monodon-type baculovirus (MBV) was detected in field-collected juvenile/sub-adult mud crab, Scylla serrata using a nested polymerase chain reaction (PCR)-based amplification of the hepatopancreatic DNA. Eight out of 115 mud crab (7.0%) examined during the study were found to be positive in the nested PCR resulting in a 361 nt amplicon. Mud crab, S. olivacea and other crustaceans such as marine crab, Portunus sanguinolentus and farmed penaeid shrimp, Penaeus vannamei and P. monodon were tested negative for the virus. Further, degenerate primers reported to amplify polyhedrin protein gene of MBV also showed PCR amplification in one of the MBV-positive crab samples resulting in a 250 nt amplicon. Sequencing of the two target amplicons (MBV- 361 nt and MBV polyhedrin - 216 nt) revealed more than 97.5 % and 92.8% sequence identity, respectively with the Penaeus monodon nudivirus and Penaeus monodon nucleopolyhedrovirus (MBV) reported from shrimp. Further, histological analysis of mud crab revealed nuclear hypertrophy, chromatin margination and intranuclear eosinophilic/basophilic inclusions in tubule epithelium of hepatopancreas. The hepatopancreatic tissue also showed unusually large, eosinophilic/basophilic inclusion-like structures. These inclusions resembled the viral inclusions reported from S. serrata from Australia. This is the first record of monodon-type baculovirus from a crab host and the second from a non-penaeid crustacean. Interestingly, some of the crab samples also showed deeply basophilic intranuclear inclusion-like bodies resembling hepatopancreatic parvovirus group of viruses (HPV). However, none of the crab samples subjected to PCR amplification using HPV-specific primers showed any amplification. The histological observations made in the present study indicate the possibility of the presence of two hepatopancreas-infecting viruses in S. serrata from India.

Hydro-geochemical analysis based on entropy and geostatistics model for delineation of anthropogenic ground water pollution for health risks assessment of Dhenkanal district, India.

Consumption of poor quality water causes serious human health hazards. Therefore, it is very crucial to investigate factors influencing the quality of groundwater and its suitability for drinking purpose. In the present study, groundwater quality of the Dhenkanal district of Odisha, India was characterized and the spatial distribution of different water quality parameters were analyzed using the multivariate statistics, entropy theory, and geostatistics techniques. In the present study 112 number of groundwater tube well samples were collected from the study area. The entropy theory revealed that SO42-, Mg+2 and Cl- were the most influencing parameters. A similar observation was also observed based on the correlation coefficient analysis. Groundwater quality index (GWQI) and entropy-weighted water quality index (EWQI) classifications indicated that 78.57 and 43.75% of the collected groundwater samples were categorized under excellent water quality, whereas, the rest of the samples were varying from good to medium drinking water quality. In addition, the result of EWQI classification offers more realistic assessment than that of GWQIs owing to its high precision, simplicity and without application of artificial weight. The correlation coefficient between Ca+2 and HCO3-, Mg+2 and PO4- were significantly high which might be due the presence of CaHCO3 and MgPO4 in the groundwater samples. The GWQI revealed a weak spatial dependence of groundwater quality.

Microwave-assisted N-alkylation of amines with alcohols catalyzed by MnCl2 : Anticancer, docking, and DFT studies.

A new protocol for the N-alkylation of amines with alcohols for the synthesis of tertiary amines in the presence of MnCl2 as a catalyst, under microwave conditions, is described. The advantages of this protocol include stable reaction profiles, a wide substrate variety, excellent yields, low cost, high yields, and easy workup conditions. The anticancer efficacy of all the synthesized compounds was tested in vitro against various cancer cell lines, such as MCF-7, MDA-MB-231 (human breast), HT-29, HCT 116 (colon cancer), A549 (human lung carcinoma), and Vero cells. Among the screened compounds, 3e, 3h, and 3i demonstrated potent anticancer activity, with compound 3h surpassing the reference drug cisplatin against A549, MCF7, MDA-MB-231, and HCT116 cancer cells. The introduction of an electron-withdrawing group on the phenyl ring resulted in increased anticancer activity. The most potent compounds, 3e, 3h, and 3i, were tested against VEGFR-2, HER2, and EGFR in multikinase inhibition assays, with compounds 3h and 3i showing improved potency against the HER2 kinase. The compounds formed two H-bonds with amino acids, indicating that they had a high affinity for the target HER2 kinase (PDB ID: 3RCD), according to the docking analysis. The absorption, distribution, metabolism, excretion, and toxicity properties of the optimized analogs were also assessed in vitro, enabling the discovery of promising anticancer agents. Finally, the B3LYP level was used to measure density functional theory geometry optimization and the related quantum parameters for the active compounds.