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1.
Ann Med Surg (Lond) ; 86(4): 1933-1941, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38576948

RESUMO

Background and aims: Increased use of digital devices in the modern era has led to the development of digital eye strain (DES) or computer vision syndrome in their users. This can result in the development of various ocular and visual symptoms among them. In this study, the authors aimed to view the prevalence of digital eye strain among radiology physicians in Pakistan and their associated risk factors. Materials and methods: A cross-sectional study was conducted to evaluate occupational DES among radiology physicians in Pakistan. The data collection was done using the convenience sampling technique, and the data were analyzed using IBM SPSS for Windows, Version 25.0. Results: Out of the 247 respondents, 33.6% were males and 66.4% were females. 41.7% of them were between 30 and 40 years of age and 51.8% of them were radiology residents. 52.2% of the participants had a refractive error and were using a corrective lens. The majority of the radiologists in our study (84.2%) preferred picture archiving and communication system (PACS) over films and 82.2% of them reported having breaks of less than 15 min. Major symptoms reported by the participants were tired or heavy eyes (69.6%) and headache (69.3%). The proportion of developing DES was higher in females [P=0.001, adjusted odds ratio (aOR)=2.94], radiology residents (P=0.031, aOR=3.29), and working hours of more than 4 h per day (P<0.001, aOR=0.04). Conclusion: With recent advances in the field of radiology in Pakistan, the frequency of developing DES among radiologists is increasing. Being a female, having long working hours, and having noticeable flickers on the digital screens were among the significant factors in developing DES among radiologists.

2.
Materials (Basel) ; 17(7)2024 Mar 29.
Artigo em Inglês | MEDLINE | ID: mdl-38612085

RESUMO

The recycling of construction and demolition waste (CDW) for the extraction of recycled concrete aggregates (RCAs) to be used to produce recycled aggregate concrete (RAC) is widely acknowledged internationally. However, CDW not only contains concrete debris but may also contain burnt clay bricks. The recycling of such CDW without the segregation of different components would result in recycled aggregates having different proportions of concrete and brick aggregates. The utilization of these aggregates in concrete requires a detailed investigation of their mechanical and durability properties. In this regard, the present study focused on investigating the mechanical and durability properties of hybrid recycled aggregate concrete (HRAC) made by the 100% replacing of natural aggregates with recycled brick (RBAs) and RCA in hybrid form. The partial replacement of cement with fly ash was also considered to reduce the corban footprint of concrete. An extensive experimental program was designed and carried out in two phases. In the first phase, a total of 48 concrete mixes containing coarse RBA and RCA in mono and hybrid forms were prepared and tested for their compressive strength. The test results indicated that the compressive strength of HRAC is greatly affected by the proportion of coarse RBA and RCA. In the second phase, based on the results of the first phase, eight concrete mixes with the most critical proportions of RBA and RCA in hybrid form were selected to evaluate their mechanical and durability performance. In addition, four mixes with natural aggregates were also prepared for comparison purposes. To evaluate the mechanical properties of the concrete mixes, compressive strength and modulus of rupture (MOR) tests were performed, while for the evaluation of durability properties, water absorption and behavior after exposure to aggressive conditions of acidic and brine solutions were studied. The results revealed that a 20% replacement of cement with fly ash resulted in acceptable mechanical and durability properties of HRAC intended to be used for making concrete bricks or pavers.

3.
Sci Rep ; 14(1): 8074, 2024 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-38580684

RESUMO

Mixture distributions are naturally extra attractive to model the heterogeneous environment of processes in reliability analysis than simple probability models. This focus of the study is to develop and Bayesian inference on the 3-component mixture of power distributions. Under symmetric and asymmetric loss functions, the Bayes estimators and posterior risk using priors are derived. The presentation of Bayes estimators for various sample sizes and test termination time (a fact of time after that test is terminated) is examined in this article. To assess the performance of Bayes estimators in terms of posterior risks, a Monte Carlo simulation along with real data study is presented.

4.
ACS Omega ; 9(8): 8632-8653, 2024 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-38434807

RESUMO

Agriculture waste has increased annually due to the global food demand and intensive animal production. Preventing environmental degradation requires fast and effective agricultural waste treatment. Aerobic digestion or composting uses agricultural wastes to create a stabilized and sterilized organic fertilizer and reduces chemical fertilizer input. Indeed, conventional composting technology requires a large surface area, a long fermentation period, significant malodorous emissions, inferior product quality, and little demand for poor end results. Conventional composting loses a lot of organic nitrogen and carbon. Thus, this comprehensive research examined sustainable and adaptable methods for improving agricultural waste composting efficiency. This review summarizes composting processes and examines how compost additives affect organic solid waste composting and product quality. Our findings indicate that additives have an impact on the composting process by influencing variables including temperature, pH, and moisture. Compost additive amendment could dramatically reduce gas emissions and mineral ion mobility. Composting additives can (1) improve the physicochemical composition of the compost mixture, (2) accelerate organic material disintegration and increase microbial activity, (3) reduce greenhouse gas (GHG) and ammonia (NH3) emissions to reduce nitrogen (N) losses, and (4) retain compost nutrients to increase soil nutrient content, maturity, and phytotoxicity. This essay concluded with a brief summary of compost maturity, which is essential before using it as an organic fertilizer. This work will add to agricultural waste composting technology literature. To increase the sustainability of agricultural waste resource utilization, composting strategies must be locally optimized and involve the created amendments in a circular economy.

5.
RSC Adv ; 14(12): 8385-8396, 2024 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-38469196

RESUMO

The present investigation delves into various physical properties exhibited by CrRuH3, VRuH3 and NiRuH3. Notably adopting a stable cubic configuration, both compounds manifest a distinct metallic demeanor characterized by an absolute absence of band gap. In-depth analysis through Total Density of States (TDOS) and Partial Density of States (PDOS) justify this metallic conduct by distinctly showcasing peak conductivity at the Fermi level. The materials' magnetic behavior reveals an antiferromagnetic disposition for CrRuH3 and NiRuH3, while their intrinsic attributes emerge as anisotropic and rigid. Applying Poisson's ratio (ν) and the B/G ratio, all investigated compounds show ductility, but the CrRuH3 is superior among them. The heightened values of Young's modulus, Bulk modulus, and mean shear modulus observed in CrRuH3 underscore its enhanced rigidity as compared to VRuH3 and NiRuH3. Within the optical realm, CrRuH3 displays notable optical conductivity and absorption, particularly within the lower energy spectrum. Remarkably, at 0 eV, CrRuH3 showcases elevated reflectivity and refractive index as compared to the other investigated materials. On the hydrogen storage front, XRuH3 (X = Cr, V, Ni) exhibit promising potential, yet CrRuH3 emerges as the more favorable candidate for hydrogen storage applications.

6.
East Mediterr Health J ; 30(2): 103-108, 2024 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-38491895

RESUMO

Background: Primary health care services to promote the mental and physical health of communities include preventive, promotive, curative, general hygiene, and nutritional elements. Aim: To assess the quality of service delivery at primary healthcare settings in Punjab, Pakistan. Methods: Quantitative surveys were conducted at 106 health facilities: 92 basic health units (BHUs) and 14 rural health centres (RHCs) across Punjab in 2020. Data from the survey were supplemented with information from observations by the researchers and all data were analysed using SPSS version 25. Findings: All the 7 district health authorities surveyed had monthly targets for number of normal deliveries and the outpatient department. Systems for safe transportation and storage of medicines were deficient except in 2 districts. Anti-venom and anti-rabies vaccines were either limited or not available at most of the health units visited. Some 14% of clinical equipment examined at the BHUs and RHCs were non-functional, and no BHU had ultrasonic machines to improve the quality of antenatal care. Sterilization of surgical instruments was unsatisfactory at most health units. Several key positions at BHU and RHC were vacant. Most health units did not have fence and their main buildings were in poor condition. Conclusions: Several gaps were identified at the primary healthcare level in Punjab that need to be addressed to improve the quality of service delivery.


Assuntos
Atenção Primária à Saúde , Serviços de Saúde Rural , Humanos , Gravidez , Feminino , Paquistão , Cuidado Pré-Natal , Estudos Transversais , Acesso aos Serviços de Saúde , Qualidade da Assistência à Saúde
7.
Polymers (Basel) ; 16(6)2024 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-38543459

RESUMO

The study demonstrates the significant enhancement in oil production from a Romanian oil field using alkali-polymer (AP) flooding for reactive viscous oil. We conducted comprehensive interfacial tension (IFT) measurements across various alkali and AP concentrations, along with phase behavior assessments. Micromodel flooding experiments were used to examine pore-scale effects and select appropriate chemical concentrations. We tested displacement efficiency at the core level and experimented with different sequences and concentrations of alkali and polymers to minimize costs while maximizing the additional recovery of reactive viscous oil. The IFT analysis revealed that saponification at the oil-alkali interface significantly lowers IFT, but IFT gradually increases as soap diffuses away from the interface. Micromodels indicated that polymer or alkali injection alone achieve only minimal incremental recovery beyond waterflooding. However, AP flooding significantly enhanced incremental oil recovery by efficiently moving the mobilized oil with the viscous fluid and increasing exposure of more oil to the alkali solution. Coreflood experiments corroborated these findings. We also explored how divalent cations influence polymer concentration selection, finding that softening the injection brine significantly increased the viscosity of the AP slug.

8.
Sci Immunol ; 9(94): eadn1452, 2024 Apr 12.
Artigo em Inglês | MEDLINE | ID: mdl-38530158

RESUMO

Plasma membrane perforation elicited by caspase cleavage of the gasdermin D (GSDMD) N-terminal domain (GSDMD-NT) triggers pyroptosis. The mechanisms underlying GSDMD membrane translocation and pore formation are not fully understood. Here, using a proteomic approach, we identified fatty acid synthase (FASN) as a GSDMD-binding partner. S-palmitoylation of GSDMD at Cys191/Cys192 (human/mouse), catalyzed by palmitoyl acyltransferases ZDHHC5 and ZDHHC9 and facilitated by reactive oxygen species (ROS), directly mediated membrane translocation of GSDMD-NT but not full-length GSDMD (GSDMD-FL). Palmitoylation of GSDMD-FL could be induced before inflammasome activation by stimuli such as lipopolysaccharide (LPS), consequently serving as an essential molecular event in macrophage priming. Inhibition of GSDMD palmitoylation suppressed macrophage pyroptosis and IL-1ß release, mitigated organ damage, and enhanced the survival of septic mice. Thus, GSDMD-NT palmitoylation is a key regulatory mechanism controlling GSDMD membrane localization and activation, which may offer an additional target for modulating immune activity in infectious and inflammatory diseases.


Assuntos
Piroptose , Animais , Humanos , Camundongos , Gasderminas , Lipoilação , Proteômica
9.
J Anim Sci ; 2024 Mar 28.
Artigo em Inglês | MEDLINE | ID: mdl-38545844

RESUMO

Many animal species exhibit sex-limited traits, where certain phenotypes are exclusively expressed in one sex. Yet, the genomic regions that contribute to these sex-limited traits in males and females remain a subject of debate. Reproductive traits are ideal phenotypes to study sexual differences since they are mostly expressed in a sex-limited way. Therefore, this study aims to use local correlation analyses to identify genomic regions and biological pathways significantly associated with male and female sex-limited traits in two distinct cattle breeds (Brahman (BB) and Tropical Composite (TC)). We used the Correlation Scan method to perform local correlation analysis on 42 trait pairs consisting of six female and seven male reproductive traits recorded on ~1000 animals for each sex in each breed. To pinpoint a specific region associated these sex-limited reproductive traits, we investigated the genomic region(s) consistently identified as significant across the 42 trait pairs in each breed. The genes found in the identified regions were subjected to Quantitative Trait Loci (QTL) colocalization, QTL enrichment analyses, and functional analyses to gain biological insight into sexual differences. We found that the genomic regions associated with the sex-limited reproductive phenotypes are widely distributed across all the chromosomes. However, no single region across the genome was associated all the 42 reproductive trait pairs in the two breeds. Nevertheless, we found a region on the X-chromosome to be most significant for 80-90% (BB; 33 and TC; 38) of the total 42 trait pairs. A considerable number of the genes in this region were regulatory genes. By considering only genomic regions that were significant for at least 50% of the 42 trait pairs, we observed more regions spread across the autosomes and the X-chromosome. All genomic regions identified were highly enriched for trait-specific QTL linked to sex-limited traits (percentage normal sperm, metabolic weight, average daily gain, carcass weight, age at puberty, etc.). The gene list created from these identified regions were enriched for biological pathways that contribute to the observed differences between sexes. Our results demonstrate that genomic regions associated with male and female sex-limited reproductive traits are distributed across the genome. Yet, chromosome X seems to exert a relatively larger effect on the phenotypic variation observed between the sexes.

10.
Antibiotics (Basel) ; 13(3)2024 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-38534641

RESUMO

The agriculture and food (agrifood) sectors play key roles in the emergence, spread, and containment of antimicrobial resistance (AMR). Pakistan's first National Action Plan (NAP) on AMR was developed to guide One Health interventions to combat AMR through 2017-2022. To improve subsequent iterations, we assessed the implementation of Pakistan's NAP in the agrifood sectors (NAPag) in October 2022, using the Progressive Management Pathway on AMR tool developed by the Food and Agriculture Organization of the United Nations (FAO). The assessment tool addressed four crucial focus areas of the NAPag: governance, awareness, evidence, and practices. Each focus area contains multiple topics, which involve four sequential stages of activities to progressively achieve systematic management of AMR risk in the agrifood sectors. High-level representatives of the NAPag stakeholders provided information for the assessment through pre-event documentary review and workshop discussions. The assessment results showed that Pakistan's NAPag had an overall moderate coverage (59%) of the anticipated activities. Gaps were particularly notable in strengthening governance, good practices, and interventions in non-livestock sectors. Furthermore, only 12% of the evaluated activities were fully executed and documented, consistently remaining at the planning and piloting stages in the livestock sector across all the examined topics. Insufficient attention to non-livestock sectors, inadequate regulation and enforcement capacity, and resource constraints have hindered scalable and sustainable interventions under the current plan. This assessment provides valuable insights to strengthen the inclusiveness and contribution of the agrifood sectors in the next NAP iteration. In the short-to-medium term, strategic prioritization is necessary to optimize the use of limited resources and target the most critical gaps, such as improving awareness among key stakeholders and fortifying regulations for prudent antimicrobial use. In the long term, integration of AMR into the country's broader health, development, and agricultural transformation agendas will be needed to generate sustainable benefits.

11.
Ann Med Surg (Lond) ; 86(3): 1297-1303, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38463105

RESUMO

Background and aims: The study aimed to determine the prevalence of hereditary thrombophilia, and stratify its severity among live liver donors in Pakistan. Also, the authors evaluated the safety and efficacy of thrombophilia profile testing directed venous thromboembolic events (VTE) prophylaxis while balancing bleeding risk and the need for routine thrombophilia testing before live liver donation among living donor candidates. Materials and methods: Protein S (PS), protein C (PC), anti-thrombin (AT) III, and anti-phospholipid antibody panel (APLA) levels were measured in 567 potential donor candidates. Donors were divided into normal, borderline and high-risk groups based on Caprini score. The safety endpoints were VTE occurrence, bleeding complications or mortality. Results: Among 567 donors, 21 (3.7%) were deficient in protein C, and 14 (2.5%) were deficient in anti-thrombin-III. IgM and IgG. Anti-phospholipids antibodies were positive in 2/567 (0.4%) and 2/567 (0.4%), respectively. IgM and IgG lupus anticoagulant antibodies were positive in 3/567 (0.5%) and 3/567 (0.5%), respectively. VTE events, bleeding complications and postoperative living donors liver transplantation-related complications were comparable among the three donor groups (P>0.05). One donor in the normal donor group developed pulmonary embolism, but none of the donors in either borderline or high-risk group developed VTE. The mean length of ICU and total hospital stay were comparable. No donor mortality was observed in all donor groups. Conclusions: Due to thrombophilia testing directed VTE prophylaxis, VTE events were comparable in normal, borderline and high-risk thrombophilia donor groups, but more evaluations are required to determine the lower safe levels for various thrombophilia parameters including PC, PS and AT-III before surgery among living donor candidates.

12.
RSC Adv ; 14(11): 7440-7458, 2024 Feb 29.
Artigo em Inglês | MEDLINE | ID: mdl-38433935

RESUMO

Polymeric biomaterials are a widely used class of materials due to their versatile properties. However, as with all other types of materials used for biomaterials, polymers also have to interact with blood. When blood comes into contact with any foreign body, it initiates a cascade which leads to platelet activation and blood coagulation. The implant surface also has to encounter a thromboinflammatory response which makes the implant integrity vulnerable, this leads to blood coagulation on the implant and obstructs it from performing its function. Hence, the surface plays a pivotal role in the design and application of biomaterials. In particular, the surface properties of biomaterials are responsible for biocompatibility with biological systems and hemocompatibility. This review provides a report on recent advances in the field of surface modification approaches for improved hemocompatibility. We focus on the surface properties of polysaccharides, proteins, and synthetic polymers. The blood coagulation cascade has been discussed and blood - material surface interactions have also been explained. The interactions of blood proteins and cells with polymeric material surfaces have been discussed. Moreover, the benefits as well as drawbacks of blood coagulation on the implant surface for wound healing purposes have also been studied. Surface modifications implemented by other researchers to enhance as well as prevent blood coagulation have also been analyzed.

14.
Ann Med Surg (Lond) ; 86(2): 726-733, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38333274

RESUMO

Background: Telemedicine has proven to be a boon in the field of medical sciences, as it provides a platform for all health-care personnel to assist patients remotely through digital technology advancements. It brings hope to the lower middle-income regions of the world. Thus, the study was conducted to explore the perceptions regarding telemedicine among healthcare professionals (HCP) in rural Sindh, Pakistan. Methodology: Overall, 19 in-depth interviews were conducted and this comprised of HCP working in the Pir Abdul Qadir Shah Jeelani Institute of Medical Sciences (PAQSJIMS) and Peoples University of Medical and Health Sciences for Women (PUMHSW) being involved in providing online consultations and practicing telemedicine. The interviews were conducted and audio recorded in Sindhi and Urdu and were later transcribed in to English, coded for themes and sub-themes, and were analyzed using content analysis. Results: The opportunities perceived with the use of telemedicine services were reducing nosocomial infections, facilitating the healthcare in remote areas, handling telemedicine tools, application of telemedicine services on the ground and reducing stress. However, inadequate awareness regarding telemedicine, difficulty in physical examination, the need for training, lack of compliance, and concerns regarding accuracy in diagnosis and treatment were identified as the perceived barriers to the use of telemedicine services. Conclusion: HCP had perception toward telemedicine as have numerous opportunities favoring implementation as well as various barriers are needed to overcome to promote the usage of telemedicine. Increased awareness, training programs, and technological advancements are key to overcome these challenges.

15.
ACS Omega ; 9(4): 4754-4761, 2024 Jan 30.
Artigo em Inglês | MEDLINE | ID: mdl-38313528

RESUMO

Due to some useful mechanical, dynamic, and dielectric properties along with the ease of processing and forming, liquid rubbers are ideal materials for fabricating dielectric elastomer actuators in various configurations and for many potential applications ranging from automation to automobile and medical industry. In this study, we present a cross-linkable liquid rubber composition where amine-catalyzed esterification reactions lead to the formation of a network structure based on anhydride functional isoprene rubber, carboxyl-terminated nitrile-butadiene rubber, and epoxy end-capped prepolymers. The success of this intricate network formation procedure was verified by HR-MAS NMR spectroscopy. The new isoprene-based elastomeric material exhibits actuation-relevant attributes including a low elastic modulus of 0.45 MPa, soft response to an applied load up to a large deformation of 300%, and a dielectric constant value (2.6) higher than the conventional Elastosil silicone (2.2). A dot actuator comprising of an isoprene dielectric elastomer film in unstretched state and carbon paste electrodes was fabricated that demonstrated an electrode deformation of 0.63%, which is nearly twice as high as for the commercial Elastosil 2030 film (∼0.30%) at 5 kV. Compared to the Elastosil silicone film, the enhanced performance is attributed to the low modulus and high dielectric constant value of the new isoprene elastomer.

16.
Cardiol Rev ; 2024 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-38323874

RESUMO

Postcardiac injury syndrome (PCIS) serves as a comprehensive term encompassing a spectrum of conditions, namely postpericardiotomy syndrome, postmyocardial infarction (MI) related pericarditis (Dressler syndrome), and post-traumatic pericarditis stemming from procedures like percutaneous coronary intervention or cardiac implantable electronic device placement. These conditions collectively give rise to PCIS, triggered by cardiac injury affecting pericardial or pleural mesothelial cells, leading to subsequent inflammation syndromes spanning from uncomplicated pericarditis to substantial pleural effusion. A thorough literature search conducted on MEDLINE/PubMed utilizing search terms including "postacute cardiac injury syndrome," "postcardiac injury syndrome," "postcardiotomy syndrome," "postpericardiotomy syndrome," and "post-MI pericarditis" was instrumental in collating pertinent studies. To encapsulate the amassed evidence, relevant full-text materials were meticulously selected and amalgamated narratively. The pathophysiology of PCIS is proposed to manifest through an autoimmune-mediated process, particularly in predisposed individuals. This process involves the development of anti-actin and antimyosin antibodies after a cascade of cardiac injuries in diverse forms. Treatment strategies aimed at preventing recurrent PCIS episodes have shown efficacy, with colchicine and nonsteroidal anti-inflammatory drugs, including ibuprofen, demonstrating positive outcomes. Conversely, corticosteroids have exhibited no discernible benefit concerning prognosis or recurrence rates for this ailment. In summary, PCIS serves as a unifying term encompassing a spectrum of cardiac injury-related syndromes. A comprehensive review of relevant literature underscores the autoimmune-mediated pathophysiology in susceptible individuals. The therapeutic landscape involves the proficient use of colchicine and Nonsteroidal anti-inflammatory drugs to deter recurrent PCIS episodes, while corticosteroids do not appear to contribute to improved prognosis or reduced recurrence rates. This nuanced understanding contributes to an enhanced comprehension of PCIS and its multifaceted clinical manifestations, potentially refining its diagnosis and management.

17.
RSC Adv ; 14(10): 6476-6493, 2024 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-38390507

RESUMO

The current work is about the modification of primary amine functionalized drugs, pyrimethamine and 4-amino-N-(2,3-dihydrothiazol-2-yl)benzenesulfonamide, via condensation reaction with 2-hydroxy-1-naphthaldehyde to produce new organic zwitterionic compounds (E)-1-(((4-(N-(2,3-dihydrothiazol-2-yl)sulfamoyl)phenyl)iminio)methyl)naphthalen-2-olate (DSPIN) and (E)-1-(((4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl)iminio)methyl)naphthalen-2-olate (ACPIN) in methanol as a solvent. The crystal structures of both compounds were confirmed to be imine-based zwitterionic products via single-crystal X-ray diffraction (SC-XRD) analysis which indicated that the stabilization of both crystalline compounds is achieved via various noncovalent interactions. The supramolecular assembly in terms of noncovalent interactions was explored by the Hirshfeld surface analysis. Void analysis was carried out to predict the crystal mechanical response. Compound geometries calculated in the DFT (Density Functional Theory) study showed reasonably good agreement with the experimentally determined structural parameters. Frontier molecular orbital (FMO) analysis showed that the DSPIN HOMO/LUMO gap is by 0.15 eV smaller than the ACPIN HOMO/LUMO gap due to some destabilization of the DSPIN HOMO and some stabilization of its LUMO. The results of the charge analysis implied formation of intramolecular hydrogen bonds and suggested formation of intermolecular hydrogen bonding and dipole-dipole and dispersion interactions.

18.
R Soc Open Sci ; 11(2): 231094, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38356872

RESUMO

Owing to the broad applications of quaternary ammonium salts (QAS), we present the synthesis of benzimidazolium-based analogues with variation in the alkyl and alkoxy group at N-1 and N-3 positions. All the compounds were characterized by spectroscopic techniques and found stable to air and moisture both in the solid and solution state. Moreover, molecular structures were established through single-crystal X-ray diffraction studies. The crystal packing of the compounds was stabilized by numerous intermolecular interactions explored by Hirshfeld surface analysis. The enrichment ratio was calculated for the pairs of chemical species to acquire the highest propensity to form contacts. Void analysis was carried out to check the mechanical response of the compounds. Furthermore, theoretical investigations were also performed to explore the optoelectronic properties of compounds. Natural population analysis (NPA) has been conducted to evaluate the distribution of charges on the synthesized compounds, whereas high band gaps of the synthesized compounds by frontier molecular orbital (FMO) analysis indicated their stability. Nonlinear optical (NLO) analysis revealed that the synthesized QAS demonstrates significantly improved NLO behaviour than the standard urea.

19.
ACS Omega ; 9(6): 6861-6872, 2024 Feb 13.
Artigo em Inglês | MEDLINE | ID: mdl-38371792

RESUMO

In the current study, surface-enhanced Raman scattering (SERS) was performed to evaluate the antibacterial activity of lab-synthesized drug (1-isopentyl-3-pentyl-1H-imidazole-3-ium bromide salt) and commercial drug tinidazole againstBacillus subtilis. The changes in SERS spectral features were studied for unexposed bacillus and exposed one with various dosages of drug synthesized in the lab (1-isopentyl-3-pentyl-1H-imidazole-3-ium bromide salt), and SERS bands were assigned associated with the drug-induced biochemical alterations in bacteria. Multivariate data analysis tools including principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) have been utilized to analyze the antibacterial activity of the imidazole derivative (lab drug). PCA was employed in differentiating all the SERS spectral data sets associated with the various doses of the lab-synthesized drug. There is clear discrimination among the spectral data sets of a bacterial strain treated with different concentrations of the drug, which are analyzed by PLS-DA with 86% area under the curve in receiver operating curve (ROC), 99% sensitivity, 100% accuracy, and 98% specificity. Various dominant spectral features are observed with a gradual increase in the different concentrations of the applied drug including 715, 850, 1002, 1132, 1237, 1396, 1416, and 1453 cm-1, which indicate the possible biochemical changes caused in bacteria during the antibacterial activity of the lab-synthesized drug. Overall, the findings show that imidazole and imidazolium compounds generated from tinidazole with various alkyl lengths in the amide substitution can be effective antibacterial agents with low cytotoxicity in humans, and these results indicate the efficiency of SERS in pharmaceuticals and biomedical applications.

20.
Cureus ; 16(1): e52174, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38344544

RESUMO

Granuloma annulare (GA) is an inflammatory granulomatous skin disease of unknown etiology that is self-limiting in nature. However, it is hypothesized that trauma, medications, malignancy, viral infections, different vaccines, and hypersensitivity reactions can trigger the formation of GA. Only three cases of post-SARS-CoV-2 vaccination-related GA have been reported so far. Here, we report the fourth documented case of post-SARS-CoV-2 vaccination-related generalized GA.

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