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1.
Environ Res ; 251(Pt 1): 118589, 2024 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-38428560

RESUMO

The use of graphene sheets in water treatment is increasing due to its adsorption capacity, reactivity, catalytic action and surface area. The challenges linked to wastewater treatment are vast due to the constant influx of various pollutants. Can the challenges of water desalination and purification be encountered by graphene-based composites and membranes?.The current work describes the synthesis of graphene oxide (GO) using modified Hummers' method. GO was functionalized with chitosan and used as adsorbents. On the other hand, it was reported that the surface of thin-film-composite (TFC) polyamide membranes was modified in order to desalinate highly saline water using pervaporation. The findings showed that GO synthesized by modified Hummers' method has a greater capacity for the adsorption of sodium ion and have better regeneration performance. Functionalization with chitosan increased adsorption capacity from 680.2 to 740.5 mg/g at the initial concentration of 45,000 mg/l of Na+ ions. On the other hand, modification in membrane comprises the chlorine treatment of surface of polyamide membrane. Layer-by-layer (LbL) deposition of positively charged polyethyleneimine (PEI) and negatively charged graphene oxide (GO) was followed. The PEI/GO LbL membrane's pure water flux was twice as high as compare to the original membrane. The synthesized membrane was tested against the aqueous solutions containing Na2SO4, MgSO4, NaCl and MgCl2 salts for their desalination. At different concentrations, a water flux of 8.9 kg/m2h with a huge salt rejection (>99.9%) was attained for every tested salt. It was observed that CS functionalized GO and GO membrane showed higher adsorption capacity and improved regeneration performance can be measured as an operational and active adsorbent for sea water desalination.


Assuntos
Quitosana , Grafite , Membranas Artificiais , Purificação da Água , Grafite/química , Quitosana/química , Purificação da Água/métodos , Adsorção , Salinidade , Cloreto de Sódio/química
2.
Bioorg Chem ; 134: 106450, 2023 05.
Artigo em Inglês | MEDLINE | ID: mdl-36924652

RESUMO

Ectonucleotidases, a well-known superfamily of plasma membrane located metalloenzymes plays a central role in mediating the process of purinergic cell signaling. Major functions performed by these enzymes include the hydrolysis of extracellular nucleosides and nucleotides which are considered as important cell-signaling molecules. Any (patho)-physiologically induced disruption in this purinergic cell signaling leads to several disorders, hence these enzymes are important drug targets for therapeutic purposes. Among the major challenges faced in the design of inhibitors of ectonucleotidases, an important one is the lack of selective inhibitors. Access to highly selective inhibitors via a facile synthetic route will not only be beneficial therapeutically, but will also lead to an increase in our understanding of intricate interplay between members of ectonucleotidase enzymes in relation to their selective activation and/or inhibition in different cells and tissues. Herein we describe synthesis of highly selective inhibitors of human intestinal alkaline phosphatase (h-IAP) and human tissue non-specific alkaline phosphatase (h-TNAP), containing chromone sulfonamide and sulfonylhydrazone scaffolds. Compound 1c exhibited highest (and most selective) h-IAP inhibition activity (h-IAP IC50 = 0.51 ± 0.20 µM; h-TNAP = 36.5%) and compound 3k showed highest activity and selective inhibition against h-TNAP (h-TNAP IC50 = 1.41 ± 0.10 µM; h-IAP = 43.1%). These compounds were also evaluated against another member of ectonucleotidase family, that is rat and human ecto-5'-nucleotidase (r-e5'NT and h-e5'NT). Some of the compounds exhibited excellent inhibitory activity against ecto-5'-nucleotidase. Compound 2 g exhibited highest inhibition against h-e5'NT (IC50 = 0.18 ± 0.02 µM). To rationalize the interactions with the binding site, molecular docking studies were carried out.


Assuntos
5'-Nucleotidase , Fosfatase Alcalina , Ratos , Humanos , Animais , Simulação de Acoplamento Molecular , Inibidores Enzimáticos/química , Sulfonamidas/farmacologia , Sulfonamidas/química , Cromonas/farmacologia
3.
Med Res Rev ; 42(4): 1661-1703, 2022 07.
Artigo em Inglês | MEDLINE | ID: mdl-35561109

RESUMO

Purinergic signaling is mediated through extracellular nucleotides (adenosine 5'-triphosphate, uridine-5'-triphosphate, adenosine diphosphate, uridine-5'-diphosphate, and adenosine) that serve as signaling molecules. In the early 1990s, purines and pyrimidine receptors were cloned and characterized drawing the attention of scientists toward this aspect of cellular signaling. This signaling pathway is comprised of four subtypes of adenosine receptors (P1), eight subtypes of G-coupled protein receptors (P2YRs), and seven subtypes of ligand-gated ionotropic receptors (P2XRs). In current studies, the pathophysiology and therapeutic potentials of these receptors have been focused on. Various ligands, modulating the functions of purinergic receptors, are in current clinical practices for the treatment of various neurodegenerative disorders and cardiovascular diseases. Moreover, several purinergic receptors ligands are in advanced phases of clinical trials as a remedy for depression, epilepsy, autism, osteoporosis, atherosclerosis, myocardial infarction, diabetes, irritable bowel syndrome, and cancers. In the present study, agonists and antagonists of purinergic receptors have been summarized that may serve as pharmacological tools for drug design and development.


Assuntos
Receptores Purinérgicos P1 , Receptores Purinérgicos , Adenosina , Trifosfato de Adenosina/metabolismo , Gerenciamento Clínico , Humanos , Ligantes , Receptores Purinérgicos/metabolismo , Receptores Purinérgicos P1/metabolismo
4.
Environ Res ; 215(Pt 2): 114240, 2022 12.
Artigo em Inglês | MEDLINE | ID: mdl-36103930

RESUMO

Biomedical waste from healthcare activities poses a higher hazard of infection and damage than other types of trash. The main objective of the study was to assess the awareness knowledge and practices of biomedical waste management (BMWM) among health care professionals in the health care units. The cross-sectional study was carried out to access the awareness, knowledge and practices of health care professionals for BMWM. Using a qualitative approach, the study was escorted in two Apex hospitals i.e. the Allied Hospital and the District Head Quarter Hospital, Faisalabad, Pakistan from August 5, 2019 to October 15, 2019. More than 90% of respondents knew the phrase BMWM, but just 35.4% had awareness about biomedical waste regulations. About 71.6% of the respondents were familiar with biomedical waste's color-coding segregation. The study concludes gap in the awareness, knowledge and practices for BMWM. The sanitary workers of the hospitals had no knowledge about BMWM and the BMWM/healthcare waste management rule 2005 established in Pakistan due to the lack of training regarding waste management and the segregation process. Some of the staff members were aware of the BMWM practices under the rules and regulations of Pakistan but were unable to implement at their work place. It is necessary to dispose of the biomedical waste according to the established terms and conditions of BMWM rules (2005) of Pakistan. Weak structure of BMWM was observed at the study sites due to the lack of training, liabilities and absence of penalties against improper biomedical waste disposal as violation of the rules and regulations. It's a dire need of the time to consider the biomedical waste as hazardous waste and make policies for its safe disposal and ensure the implementation of the policies in all the medical centers of Pakistan.


Assuntos
Doenças Transmissíveis , Eliminação de Resíduos de Serviços de Saúde , Gerenciamento de Resíduos , Estudos Transversais , Resíduos Perigosos , Pessoal de Saúde , Hospitais , Humanos
5.
Bioorg Med Chem Lett ; 30(13): 127238, 2020 07 01.
Artigo em Inglês | MEDLINE | ID: mdl-32386855

RESUMO

We developed a simple and robust method for synthesis of 1,3-oxathiol-2-ylidene benzamides (4a-m) a sporadic class of heterocycles, by reacting freshly prepared aroyl isothiocyanates, with ethyl 2-chloroacetoacetate in presence of N-methylimidazole in dry acetonitrile. The synthesized compounds were explored for their inhibition against alkaline phosphatases and HeLa cancer cell lines. The results suggest that almost all the compounds possess good % inhibition against both enzymes, with compound 4m showing dual inhibition while 4g and 4i as potent and selective inhibitors of TNAP and c-IAP respectively. Structure activity relationship for the active members of series has been carried out based on molecular docking studies. The result of SAR shows the involvement of active inhibitors in H-bonding at various sites with different amino acid residues in addition to secondary metal ion interactions with Zn ions inside the active pocket of the enzyme. The π-π interactions between the 1,3-oxathiole ring and imidazole ring of His321 and His 317 further defines the dual mode of inhibition by compound 4m. These compounds also possess inhibition potential against cervical cell lines in the range of 2.42-69.03% with the maximum inhibition shown by the unsubstituted member 4a compared to the reference drug cisplatin.


Assuntos
Fosfatase Alcalina/antagonistas & inibidores , Inibidores Enzimáticos/farmacologia , Compostos Heterocíclicos com 1 Anel/farmacologia , Fosfatase Alcalina/metabolismo , Animais , Antineoplásicos/síntese química , Antineoplásicos/metabolismo , Antineoplásicos/farmacologia , Bovinos , Ensaios de Seleção de Medicamentos Antitumorais , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/metabolismo , Células HeLa , Compostos Heterocíclicos com 1 Anel/síntese química , Compostos Heterocíclicos com 1 Anel/metabolismo , Humanos , Simulação de Acoplamento Molecular , Estrutura Molecular , Ligação Proteica , Relação Estrutura-Atividade
6.
Nanotechnology ; 31(32): 325002, 2020 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-32135527

RESUMO

There are varied spin states in dilute magnetic semiconductors, and carriers are not the only elementary excitations that carry the spin. This article reports a study of spin interactions in excitons of ZnSe:NiI(II) nanostructures. High-quality ZnSe:NiI(II) nanobelts (NBs) prepared by chemical vapor deposition show a zinc blende structure by x-ray diffraction and Raman spectroscopy. The temperature-dependent photoluminescence spectra of doped NBs show independent free exciton (FX) and exciton magnetic polaron (EMP) peaks at room temperature with ferromagnetically coupled Ni ions. A single-mode lasing profile was obtained with femtosecond laser excitation due to condensation of EMPs over a threshold. The luminescence lifetimes at different pump powers indicated different relaxation profiles, confirming the formation of coherent EMP aggregates. At a slightly higher dopant concentration, a weak peak at the high-energy side of the FX peak showed up separately at low temperature; this should be the magnetic polaron emission band from the antiferromagnetically coupled Ni(II) pair binding with a FX (antiferromagnetic magnetic polaron). These results illustrate the typical spectroscopic characteristics of spin-spin magnetic coupling, exciton-spin or phonon interactions in dilute magnetic semiconductor nanostructures, showing that their different coupled spin types could work as exciton binders for their collective excitons, with possible use in spin nanophotonic devices and quantum modulations.

7.
Bioorg Chem ; 102: 104088, 2020 09.
Artigo em Inglês | MEDLINE | ID: mdl-32711087

RESUMO

Alkaline phosphatases (APs) are a class of homodimeric enzymes which physiologically possess the dephosphorylation ability. APs catalyzes the hydrolysis of monoesters into phosphoric acid which in turn catalyze a transphosphorylation reaction. Thiazoles are nitrogen and sulfur containing aromatic heterocycles considered as effective APs inhibitors. In this context, the current research paper presents the successful synthesis, spectroscopic characterization and in vitro alkaline phosphatase inhibitory potential of new thiazole derivatives. The structure activity relationship and molecular docking studies were performed to find out the binding modes of the screened compounds with the target site of tissue non-specific alkaline phosphatase (h-TNAP) as well as intestinal alkaline phosphatase (h-IAP). Compound 5e was found to be potent inhibitor of h-TNAP with IC50 value of 0.17 ± 0.01 µM. Additionally, compounds 5a and 5i were found to be highly selective toward h-TNAP with IC50 values of 0.25 ± 0.01 µM and 0.21 ± 0.02 µM, respectively. In case of h-IAP compound 5f was the most potent inhibitor with IC50 value of 1.33 ± 0.10 µM. The most active compounds were resort to molecular docking studies on h-TNAP and h-IAP to explore the possible binding interactions of enzyme-ligand complexes. Molecular dynamic simulations were carried out to investigate the overall stability of protein in apo and holo state.


Assuntos
Fosfatase Alcalina/antagonistas & inibidores , Inibidores Enzimáticos/farmacologia , Intestinos/embriologia , Tiazóis/farmacologia , Fosfatase Alcalina/metabolismo , Animais , Células COS , Chlorocebus aethiops , Relação Dose-Resposta a Droga , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/química , Humanos , Modelos Moleculares , Estrutura Molecular , Relação Estrutura-Atividade , Tiazóis/síntese química , Tiazóis/química
8.
Bioorg Chem ; 101: 103996, 2020 08.
Artigo em Inglês | MEDLINE | ID: mdl-32563965

RESUMO

Alkaline phosphatases (ALPs) are membrane bound metalloenzymes, distributed all over the body. Recent studies have revealed that by targeting ALPs can lead towards the treatment of many deadliest diseases including cardiac, cancerous and brain diseases. Thioureas and their derivatives are of considerable significance and are privileged scaffolds in medicinal chemistry. They show a wide range of pharmacological activities such as antibacterial, antiparasitic, anti-inflammatory and antioxidants etc. On the other hand, salicylic acid and its derivatives are known for its broad spectrum of activities. The work presented comprises of synthesis of N-acyl-N'-aryl substituted bisthioureas of pimelic acid (1-7) and 3,5-dimethyl pyrazole (11), 1-aroyl-3-aryl thiourea (12) and 1,3,4-oxadiazole (13) derivatives of 4-methyl salicylic acid. Structures of all the synthesized compounds were characterized by FT-IR and 1H NMR spectroscopic analysis. Synthesized compounds were evaluated for their alkaline phosphatases inhibition potential and exhibited high potency as well as selectivity towards h-TNAP and h-IAP. Compound 7 and 12 which were the bisthiourea derivative of pimmelic acid and thiourea derivative of 4-methyl salicylic acid, respectively, showed excellent selectivity against h-TNAP and h-IAP, respectively.


Assuntos
Fosfatase Alcalina/antagonistas & inibidores , Inibidores Enzimáticos/química , Inibidores Enzimáticos/farmacologia , Intestinos/enzimologia , Ácidos Pimélicos/química , Salicilatos/química , Tioureia/farmacologia , Inibidores Enzimáticos/síntese química , Ligação de Hidrogênio , Simulação de Acoplamento Molecular , Relação Estrutura-Atividade , Tioureia/química
9.
Bioorg Chem ; 100: 103827, 2020 07.
Artigo em Inglês | MEDLINE | ID: mdl-32402802

RESUMO

Medicinal importance of the sulfonylhydrazones is well-evident owing to their binding ability with zinc containing metalloenzymes. In the present study, we have synthesized different series of sulfonylhydrazones by using facile synthetic methods in good to excellent yield. All the successfully prepared sulfonylhydrazones were screened for ectonucleotidase (ALP & e5'NT) inhibitory activity. Among the chromen-2-one scaffold based sulfonylhydrazones, the compounds 7 was found to be most potent inhibitor for h-TNAP (human tissue non-specific alkaline phosphatase) and h-IAP (human intestinal alkaline phosphatase) with IC50 values of 1.02 ± 0.13 and 0.32 ± 0.0 3 µM respectively, compared with levamisole (IC50 = 25.2 ± 1.90 µM for h-TNAP) and l-phenylalanine (IC50 = 100 ± 3.00 µM for h-IAP) as standards. Further, the chromen-2-one based molecule 5a showed excellent activity against h-ecto 5'-NT (human ecto-5'-nucleotidase) with IC50 value of 0.29 ± 0.004 µM compared to standard, sulfamic acid (IC50 = 42.1 ± 7.8 µM). However, among the series of phenyl ring based sulfonylhydrazones, compound 9d was found to be most potent against h-TNAP and h-IAP with IC50 values of 0.85 ± 0.08 and 0.52 ± 0.03 µM, respectively. Moreover, in silico studies were also carried to demonstrate their putative binding with the target enzymes. The potent compounds 5a, 7, and 9d against different ectonucleotidases (h-ecto 5'-NT, h-TNAP, h-IAP) could potentially serve as lead for the development of new therapeutic agents.


Assuntos
5'-Nucleotidase/antagonistas & inibidores , Inibidores Enzimáticos/química , Inibidores Enzimáticos/farmacologia , Hidrazonas/química , Hidrazonas/farmacologia , 5'-Nucleotidase/metabolismo , Fosfatase Alcalina/antagonistas & inibidores , Fosfatase Alcalina/metabolismo , Benzopiranos/síntese química , Benzopiranos/química , Benzopiranos/farmacologia , Desenho de Fármacos , Inibidores Enzimáticos/síntese química , Proteínas Ligadas por GPI/antagonistas & inibidores , Proteínas Ligadas por GPI/metabolismo , Humanos , Hidrazonas/síntese química , Simulação de Acoplamento Molecular , Relação Estrutura-Atividade , Ácidos Sulfínicos/síntese química , Ácidos Sulfínicos/química , Ácidos Sulfínicos/farmacologia
10.
Bioorg Chem ; 91: 103137, 2019 10.
Artigo em Inglês | MEDLINE | ID: mdl-31400554

RESUMO

Design, synthesis and characterization of new trinary Benzocoumarin-Thiazoles-Azomethine derivatives having three bioactive scaffolds in a single structural unit were carried out. The newly synthesized molecules were investigated for the inhibitory activity on human tissue nonspecific alkaline phosphatase (h-TNAP) and human intestinal alkaline phosphatase (h-IAP) isozymes. All the tested compounds exhibited the potent inhibition profile on both isozymes of alkaline phosphatase i.e., h-TNAP and h-IAP. Molecular docking studies were performed to explore the putative binding mode of interactions of selective inhibitors. Moreover, the synthesized derivatives were evaluated against cervical cancer cell line, HeLa and a few compounds exhibited significant inhibition in the range of 21.0-69.7%. The derivatives can be potential and selective alkaline phosphatase inhibitors for future studies.


Assuntos
Fosfatase Alcalina/antagonistas & inibidores , Cumarínicos/farmacologia , Inibidores Enzimáticos/farmacologia , Hidrazonas/farmacologia , Tiazóis/farmacologia , Fosfatase Alcalina/química , Fosfatase Alcalina/metabolismo , Animais , Células COS , Domínio Catalítico , Linhagem Celular Tumoral , Proliferação de Células/efeitos dos fármacos , Chlorocebus aethiops , Cumarínicos/síntese química , Cumarínicos/metabolismo , Desenho de Fármacos , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/metabolismo , Proteínas Ligadas por GPI/antagonistas & inibidores , Proteínas Ligadas por GPI/química , Proteínas Ligadas por GPI/metabolismo , Humanos , Hidrazonas/síntese química , Hidrazonas/metabolismo , Simulação de Acoplamento Molecular , Estrutura Molecular , Ligação Proteica , Relação Estrutura-Atividade , Tiazóis/síntese química , Tiazóis/metabolismo
11.
World J Microbiol Biotechnol ; 35(12): 188, 2019 Nov 18.
Artigo em Inglês | MEDLINE | ID: mdl-31741120

RESUMO

Soil contamination due to cadmium (Cd) is a ubiquitous environmental problem for which inexpensive remediation alternatives are required. Phytoaccumulation, the use of plants to extract and accumulate heavy metals from the contaminated environment, is such an alternative. In this study, we aimed at establishing effective plant-bacteria interplay between Brachiaria mutica and Cd-resistant endophytic bacteria eventually leading to improved phytoremediation. B. mutica was grown in a Cd-contaminated soil and inoculated with three Cd-tolerant endophytic bacteria individually as well as in combination. Plant physiological parameters, biomass production, bacterial colonization, and Cd-accumulation were observed at four different Cd exposures, i.e., 100, 200, 400 and 1000 mg kg-1 of soil. The combined application of endophytic bacteria was more effective as compared to their individual applications at all concentrations. Nevertheless, highest performance of consortium was seen at 100 mg Cd kg-1 of soil, i.e., root length was enhanced by 46%, shoot length by 62%, chlorophyll content by 40%, and dry biomass by 64%; which was reduced with the increase in Cd concentration. The bacterial population was highest in the root interior followed by rhizosphere and shoot interior. Concomitantly, plants inoculated with bacterial consortium displayed more Cd-accumulation in the roots (95%), shoots (55%), and leaves (44%). Higher values of BCFroot (> 1), and lower values for BCFshoot and TF (< 1) indicates capability of B. mutica to accumulate high amounts of Cd in the roots as compared to the aerial parts. The present study concludes that plant-endophyte interplay could be a sustainable and effective strategy for Cd removal from the contaminated soils.


Assuntos
Brachiaria/metabolismo , Brachiaria/microbiologia , Cádmio/metabolismo , Endófitos/fisiologia , Bactérias/metabolismo , Biodegradação Ambiental , Biomassa , Brachiaria/efeitos dos fármacos , Brachiaria/crescimento & desenvolvimento , Cádmio/análise , Cádmio/farmacologia , Produtos Agrícolas , Metais Pesados , Folhas de Planta/metabolismo , Raízes de Plantas/microbiologia , Brotos de Planta/metabolismo , Brotos de Planta/microbiologia , Rizosfera , Solo/química , Microbiologia do Solo , Poluentes do Solo
12.
Ecotoxicol Environ Saf ; 148: 825-833, 2018 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-29197797

RESUMO

Cadmium (Cd) and drought stress in plants is a worldwide problem, whereas little is known about the effect of biochar (BC) under combined Cd and drought stress. The current study was conducted to determine the impact of BC on Cd uptake in wheat sown in Cd-contaminated soil under drought stress. Wheat was grown in a soil after incubating the soil for 15 days with three levels of BC (0%, 3.0% and 5.0% w/w). Three levels of drought stress (well-watered, mild drought and severe drought containing 70%, 50%, and 35% of soil water holding capacity respectively) were applied to 45-d-old wheat plants. Drought stress decreased plant height, spike length, chlorophyll contents, gas exchange parameters, root and shoot dry biomasses and grain yields. Drought stress also caused oxidative stress and decreased the antioxidant enzymes activities whereas increased the Cd concentration in plants. Biochar increased morphological and physiological parameters of wheat under combined drought and Cd stress and reduced the oxidative stress and Cd contents and increased antioxidant enzymes activities. The decrease in Cd concentration with BC application in drought-stressed plant might be attributed to BC-induced increase in crop biomass production and reduction in oxidative stress. These results indicate that BC could be used as an amendment in metal contaminated soil for improving wheat growth and reducing Cd concentrations under semiarid conditions.


Assuntos
Cádmio/análise , Carvão Vegetal/química , Secas , Poluentes do Solo/análise , Triticum/crescimento & desenvolvimento , Biomassa , Grão Comestível/química , Raízes de Plantas/química , Solo/química , Triticum/química
13.
J Pak Med Assoc ; 67(12): 1825-1832, 2017 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-29256524

RESUMO

OBJECTIVE: To estimate frequencies of metabolic risk phenotypes and their associations in body mass index and waist circumference-based obesity categories. METHODS: The cross-sectional study was conducted at Pir Mehr Ali Shah Arid Agriculture University, Rawalpindi, Pakistan, from August 2014 to March 2016. Anthropometric and clinical data of young adults was collected. All subjects were categorised into body mass index, waist circumference-based obesity categories and common metabolic risk phenotypes (hypertension, hyperglycaemia, dyslipidaemia) frequencies and their associations were estimated in age and gender adjusted models. Data was analysed using SPSS 21. RESULTS: Of the 2,000 participants, 800(40%) were females and 1,200(60%) were males. There were 500(25%) participants in each group, i.e. underweight, normal weight, overweight and obese. The overall mean age was 23.68±4.33 years (range: 16-30 years). All clinical parameters were significantly raised in general and abdominally obese class (p<0.05). Based on body mass index and waist circumference, the frequency of general obesity was 324(16.2%) and abdominal obesity was 994(49.7%). Co-morbid metabolic risk phenotypes were as follows: hypertension 1,098(54.9%) and 924(46.2%); hyperglycaemia 1,116(55.8%) and 550(27.5%); dyslipidaemia 300(15%) and 194(9.7%), respectively. The strongest associations of body mass index and waist circumference alone catergorised obesity were found with hyperglycaemia, (Odds ratio: 7.23, 6.49) followed by dyslipidemia (Odds ratio: 5.60, 5.67) and hypertension (Odds ratio: 3.28, 3.02). . CONCLUSIONS: Body mass index and waist circumference were found to be powerful, discriminating predictors of co-morbidities linked with general and abdominal obesity.


Assuntos
Índice de Massa Corporal , Diabetes Mellitus Tipo 2/epidemiologia , Obesidade/epidemiologia , Circunferência da Cintura/fisiologia , Adolescente , Adulto , Antropometria , Doenças Cardiovasculares/epidemiologia , Estudos Transversais , Feminino , Humanos , Masculino , Paquistão/epidemiologia , Fatores de Risco , Adulto Jovem
14.
J Mass Spectrom ; 59(2): e5002, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38311469

RESUMO

In this study, low-energy cesium (Cs+ ) ion-induced sputtered fragmentation of poly allyl diglycol carbonate (PADC) was investigated using mass spectrometry. The collision-induced dissociation mechanism revealed emission of various fragments, including monoatomic (H- , C1 - , O1 - ), diatomic (C2 - ), and multiatomic (C3 - , CO2 - , C2 O2 - , C3 O2 - ) species within the Cs+ ion energy range of 1-5 keV. The anion current of these fragments exhibited a linear increase with rising incident Cs+ ion energy, indicating a corresponding rise in fragment abundance. Analysis of normalized yield indicated that at 1 keV incident energy, the dominant fragment was monoatomic hydrogen (H- ), followed by diatomic carbon (C2 - ), monoatomic carbon (C1 - ), and monoatomic oxygen (O1 - ). Although C2 - remained dominant up to 5 keV, other fragments exhibited varying normalized yields at different ion energy steps. The sputter yield estimation revealed that monoatomic hydrogen (H- ) and diatomic carbon (C2 - ) exhibited the highest yields, increasing exponentially beyond 3 keV, while multiatomic fragments like C3 - , CO2 - , C2 O2 - , and C3 O2 - displayed the lowest yields. The sputter dissociation mechanism pointed to dehydrogenation, chain scission, and bond breakage as the primary processes during low-energy Cs+ ion impact. Postsputtering Scanning Electron Mircoscope (SEM) micrographs show craters, pits, and micropores on the PADC surface, indicating significant surface degradation. X-ray Diffraction (XRD) spectra exhibited reduced diffraction intensity, while Fourier Transform Infrared Spectroscopy (FTIR) analysis indicated the absence of molecular bands in the IR spectrum, confirming extensive surface damage due to Cs+ ion-induced sputtering.

15.
Infect Drug Resist ; 17: 2943-2955, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39011342

RESUMO

Introduction: New Delhi Metallo-ß-lactamase producing Klebsiella pneumoniae (NDM-1-KP) sequence type (ST) 147 poses a significant threat in clinical settings due to its evolution into two distinct directions: hypervirulence and carbapenem resistance. Hypervirulence results from a range of virulence factors, while carbapenem resistance stems from complex biological mechanisms. The NDM-1-KP ST147 clone has emerged as a recent addition to the family of successful clones within the species. Methods: In this study, we successfully synthesized 5-bromo-N-alkylthiophene-2-sulfonamides (3a-c) by reacting 5-bromothiophene-2-sulfonamide (1) with various alkyl bromides (2) using LiH. We also synthesized a series of compounds (4a-g) from compound (3b) using the Suzuki-Miyaura cross-coupling reaction with fair to good yields (56-72%). Further, we screened the synthesized molecules against clinically isolated New Delhi Metallo-ß-lactamase producing Klebsiella pneumoniae ST147. Subsequently, we conducted in-silico tests on compound 3b against a protein extracted from NDM-KP ST147 with PDB ID: 5N5I. Results: The compound (3b) with favourable drug candidate status, MIC of 0.39 µg/mL, and MBC of 0.78 µg/mL. This low molecular weight compound exhibited the highest potency against the resistant bacterial strains. The in-silico tests revealed that the compound 3b against a protein extracted from NDM-KP ST147 with PDB ID: 5N5I demonstrated H-bond and hydrophobic interactions. Conclusion: The 5-bromo-N-alkylthiophene-2-sulfonamides displayed antibacterial efficacy against New Delhi Metallo-ß-lactamase producing Klebsiella pneumoniae ST147. After the in-vivo trial, this substance might offer an alternative therapeutic option.

16.
RSC Adv ; 14(10): 7040-7051, 2024 Feb 21.
Artigo em Inglês | MEDLINE | ID: mdl-38414992

RESUMO

Gas sensing technology has a broad impact on society, ranging from environmental and industrial safety to healthcare and everyday applications, contributing to a safer, healthier, and more sustainable world. We studied pure and Fe-decorated hexagonal boron nitride (h-BN) gas sensor for monitoring of carbon-based gases using density functional theory (DFT). The calculations utilized the Generalized Gradient Approximation with the Perdew-Burke-Ernzerhof (GGA-PBE) exchange-correlation functional. The novelty of our study lies in the investigation of the adsorption of harmful gases such as carbonyl sulfide, carbinol, carbimide, and carbonyl fluoride on both pure and Fe-decorated h-BN. The deviation in structural, electronic, and adsorption properties of h-BN due to Fe decoration has been studied along with the sensing ability to design said material towards carbon monoxide (CO), carbon dioxide (CO2), carbonyl sulfide (COS), carbinol, (CH4O), carbimide (CH2N2), and carbonyl fluoride (CF2O) gases. Gases such as CO, COS, CH2N2, and CF2O exhibited chemisorption, while CO2, and CH4O exhibited physisorption behavior. The introduction of Fe altered the semiconductor properties of h-BN and rendered it metallic. Enhanced electronic properties were observed due to a robust hybridization occurring between the d-orbitals of Fe-decorated BN and the gas molecules. The extended recovery periods observed for gases, aside from CO2, indicate their adhesive interactions with Fe-decorated h-BN. The reduction in desorption duration as temperature rises allows Fe-decorated h-BN to function as a reversible gas sensor. This research opens up a novel pathway for the synthesis and advancement of cost-effective, environmentally friendly double-atom catalysts with high sensitivity for capturing and detecting molecules such as CO, COS, CH2N2, CO2, CH4O, and CF2O.

17.
J Sci Food Agric ; 93(13): 3237-44, 2013 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-23576218

RESUMO

BACKGROUND: Future concentration of carbon dioxide in the atmosphere is very important due to its apparent economic and environmental impact in terms of climate change. However, a compressive assessment of its effect on the nutritional and chemical characteristics of food crops has yet to be established. In the present study the impact of elevated atmospheric CO2 on the yield, chemical composition and nutritional quality of three root vegetables, carrot (Daucus carota L. cv. T-1-111), radish (Raphanus sativus L. cv. Mino) and turnip (Brassica rapa L. cv. Grabe) has been investigated. RESULTS: The yield of carrot, radish and turnip increased by 69, 139 and 72%, respectively, when grown under elevated CO2 conditions. Among the proximate composition, protein, vitamin C and fat contents decreased significantly for all the vegetables while sugar and fibre contents were increased. Response of the vegetables to elevated CO2 , in terms of elemental composition, was different with a significant decrease in many important minerals. Elevated CO2 decreased the amount of majority of the fatty acids and amino acids in these vegetables. CONCLUSIONS: It was observed that elevated CO2 increased the yield of root vegetables but many important nutritional parameters including protein, vitamin C, minerals, essential fatty acids and amino acids were decreased.


Assuntos
Atmosfera/química , Brassica napus/química , Dióxido de Carbono/análise , Daucus carota/química , Valor Nutritivo , Raphanus/química , Ácido Ascórbico/análise , Brassica napus/crescimento & desenvolvimento , Daucus carota/crescimento & desenvolvimento , Gorduras na Dieta/análise , Fibras na Dieta/análise , Sacarose Alimentar/análise , Minerais/análise , Proteínas de Plantas/análise , Raízes de Plantas/química , Raphanus/crescimento & desenvolvimento
18.
Environ Monit Assess ; 185(1): 205-14, 2013 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-22382378

RESUMO

The global average temperature has witnessed a steady increase during the second half of the twentieth century and the trend is continuing. Carbon dioxide, a major green house gas is piling up in the atmosphere and besides causing global warming, is expected to alter the physico-chemical composition of plants. The objective of this work was to evaluate the hypothesis that increased CO(2) in the air is causing undesirable changes in the nutritional composition of tomato fruits. Two varieties of tomato (Lycopersicon esculentum) were grown in ambient (400 µmol mol(-1)) and elevated (1,000 µmol mol(-1)) concentration of CO(2) under controlled conditions. The fruits were harvested at premature and fully matured stages and analyzed for yield, proximate composition, elemental concentration, fatty acid, and vitamin C contents. The amount of carbohydrates increased significantly under the enhanced CO(2) conditions. The amount of crude protein and vitamin C, two important nutritional parameters, decreased substantially. Fatty acid content showed a mild decrease with a slight increase in crude fiber. Understandably, the effect of enhanced atmospheric CO(2) was more pronounced at the fully matured stage. Mineral contents of the fruit samples changed in an irregular fashion. Tomato fruit has been traditionally a source of vitamin C, under the experimental conditions, a negative impact of enhanced CO(2) on this source of vitamin C was observed. The nutritional quality of both varieties of tomato has altered under the CO(2) enriched atmosphere.


Assuntos
Poluentes Atmosféricos/toxicidade , Ácido Ascórbico/metabolismo , Dióxido de Carbono/toxicidade , Ácidos Graxos/metabolismo , Solanum lycopersicum/metabolismo , Poluentes Atmosféricos/análise , Atmosfera/química , Dióxido de Carbono/análise , Solanum lycopersicum/efeitos dos fármacos
19.
ACS Omega ; 8(10): 9662-9672, 2023 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-36936332

RESUMO

Most biopharmaceutics classification system (BCS) class IV drugs have limited oral bioavailability due to poor solubility and poorer permeability. This work aims to investigate the possibility of utilizing disulfide bridged nanoparticles to improve BCS IV drug solubility and oral absorption. Disulfide bridged nanoparticles were made using thiolated sodium alginate (TSA) and thiolated eudragit RS100 (TERS100). This study used paclitaxel (PTL) as a model drug to create PTL-loaded nanoparticles using the air oxidation approach. PTL-loaded nanoparticles boosted the solubility of PTL by over 11 times (∼59 µg/mL). The nanoparticles had particle sizes of 103 nm, polydispersity indices of 0.034, and zeta potentials of -21 mV, respectively. Nanoparticles demonstrated 75.34% and 89.18% entrapment and loading efficiency of PTL, respectively. The PTL release data from nanoparticles had good sustained release properties. The effective permeability of PTL from nanoparticles was 2.19-fold higher than that of pure PTL suspension. The relative bioavailability of PTL with disulfide bridged nanoparticles was 237.11%, which was much higher than that of PTL suspension, according to the pharmacokinetic data. These results show that disulfide bridged nanoparticles have a wide range of clinical applications.

20.
Artigo em Inglês | MEDLINE | ID: mdl-38012495

RESUMO

Municipal solid waste (MSW) management poses a significant environmental challenge in municipalities across developing nations worldwide. Our studies were focused on characterizing the waste and analyzing the chemical properties of mixed waste fractions to assess their potential for waste-to-energy conversion. The objective of our study was to scrutinize the existing state of the MSW management system and gauge its waste generation rates. Specific ASTM methods were employed to carry out both physical and chemical characterizations. The outcomes reveal that the city generates a daily volume of 1155 tons of domestic solid waste (DSW), translating to a generation rate of 0.51 kg-1 capita-1 day-1. When analyzed by source, organic matter emerged as the predominant constituent, accounting for 73.74% of the waste, followed by combustible content waste at 15.17%. The moisture content of MSW ranged between 26 and 58% throughout the seasons, while volatile solids varied from 22.35 to 99.74%. Among the components screened, carbon and oxygen stood out as the dominant elements. The calorific values encompassed a broad range, ranging from 14.87 MJ kg-1 for leather waste to a substantial 25,629.27 MJ kg-1 for organic waste. To alleviate the escalating burden of increasing solid waste generation, alternative treatment approaches were recommended. These include composting, biomethane plants, the establishment of recycling facilities, and the enhancement of existing landfill sites to scientifically designed landfills. In summary, the findings from this study provide valuable insights for regulatory bodies and municipal authorities. These insights can guide the formulation of policies concerning waste sampling, characterization, segregation, and the implementation of education and awareness campaigns.

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