Enhancing catalytic activity of Cr2O3 in CO2-assisted propane dehydrogenation with effective dopant engineering: a DFT-based microkinetic simulation.

Using CO2 as a mild oxidizing agent in propane dehydrogenation (PDH) presents an attractive pathway for the generation of propene while maintaining high selectivity. Cr2O3 is one of the most important catalysts used for the CO2-assisted PDH process. In this study, the doping of Cr2O3 with single atoms such as Ge, Ir, Ni, Sn, Zn, and Zr was used for the PDH process. The introduction of dopants significantly modifies the electronic structure of pristine Cr2O3, leading to substantial alterations in its catalytic capabilities. The dehydrogenation reactions were explored both in the absence and presence of CO2. The addition of CO2 introduces two distinct pathways for PDH. On physisorbed CO2 surfaces, Ge and Ni-Cr2O3 enhance dehydrogenation. On the dissociated surface, the CO* and O* species actively participate in the reaction. All doped surfaces exhibit low energy barriers for dehydrogenation, except undoped Cr2O3 on dissociated CO2 surfaces. The Ni-Cr2O3 surface emerges as the most active surface for dehydrogenation of propane in all scenarios. Additionally, the catalytic surface is re-oxidized through H2 release, and doped surfaces facilitate coke removal via the reverse Boudouard reaction more efficiently than undoped Cr2O3. Microkinetics simulations identify the removal of the first H-atom as the rate-determining step. CO2 reduces the apparent activation energy, directly impacting C3H8 conversion and C3H6 formation. This study offers a decisive description of Cr2O3 modification for the CO2-assisted PDH process.

Synthesis, molecular docking and DFT analysis of novel bis-Schiff base derivatives with thiobarbituric acid for α-glucosidase inhibition assessment.

A library of novel bis-Schiff base derivatives based on thiobarbituric acid has been effectively synthesized by multi-step reactions as part of our ongoing pursuit of novel anti-diabetic agents. All these derivatives were subjected to in vitro α-glucosidase inhibitory potential testing after structural confirmation by modern spectroscopic techniques. Among them, compound 8 (IC50 = 0.10 ± 0.05 µM), and 9 (IC50 = 0.13 ± 0.03 µM) exhibited promising inhibitory activity better than the standard drug acarbose (IC50 = 0.27 ± 0.04 µM). Similarly, derivatives (5, 6, 7, 10 and 4) showed significant to good inhibitory activity in the range of IC50 values from 0.32 ± 0.03 to 0.52 ± 0.02 µM. These derivatives were docked with the target protein to elucidate their binding affinities and key interactions, providing additional insights into their inhibitory mechanisms. The chemical nature of these compounds were reveal by performing the density functional theory (DFT) calculation using hybrid B3LYP functional with 6-311++G(d,p) basis set. The presence of intramolecular H-bonding was explored by DFT-d3 and reduced density gradient (RGD) analysis. Furthermore, various reactivity parameters were explored by performing TD-DFT at CAM-B3LYP/6-311++G(d,p) method.

Novel benzimidazole derivatives as effective inhibitors of prolyl oligopeptidase: synthesis, in vitro and in silico analysis.

Background: This research aims to discover novel derivatives having potential therapeutic applications in treating conditions related to prolyl oligopeptidase (POP) dysfunction. Method: Novel benzimidazole derivatives have been synthesized, characterized and screened for their in vitro POP inhibition. Results: All these derivatives showed excellent-to-good inhibitory activities in the range of IC50 values of 3.61 ± 0.15 to 43.72 ± 1.18 µM, when compared with standard Z-prolyl-prolinal. The docking analysis revealed the strong interactions between our compounds and the target enzyme, providing critical insights into their binding affinities and potential implications for drug development. Conclusion: The significance of these compounds in targeting POP enzyme offers promising prospects for future research in the field of neuropharmacology.

Exploring the synthesis, structure, spectroscopy and biological activities of novel 4-benzylidene-1-(2-(2,4-dichloro phenyl)acetyl) thiosemicarbazide derivatives: An integrated experimental and theoretical investigation.

Background: Novel α-amylase inhibitors play a crucial role in managing diabetes and obesity, contributing to improved public health by addressing these challenging and prevalent conditions. Moreover, the synthesis of anti-oxidant agents is essential due to their potential in combating oxidative stress-related diseases and promoting overall health. Objective: Synthesis of thoisemicarbazone derivatives of 2,4-dichlorophenyl acetic acid and to screened them for their biological activities. Method: Thiosemicarbazone derivatives (4-13) were synthesized by refluxing 2,4-dichlorophenyl acetic acid with sulfuric acid in ethanol to get the ester (2), which was further refluxed with thiosemicarbazide to get compound (3). Finally, different aromatic aldehydes were refluxed with compound (3) in ethanol in catalytic amount of acetic acid to obtained the final products (4-13). Using modern spectroscopic techniques including HR-ESI-MS, 13C-, and 1H NMR, the structures of the created derivatives were confirmed. Results: The synthesized derivatives showed excellent to good inhibitory activity in the range of IC50 values of 4.95 ± 0.44 to 69.71 ± 0.05 µM against α-amylase enzyme when compared to standard drug acarbose (IC50 = 21.55 ± 1.31 µM). In case of iron chelating activity, these products showed potent activity better than standard EDTA (IC50 = 66.43 ± 1.07 µM) in the range of IC50 values of 22.43 ± 2.09 to 61.21 ± 2.83 µM. However, the obtained products also show excellent to good activity in the range of IC50 values of 28.30 ± 1.17 to 64.66 ± 2.43 µM against hydroxyl radical scavenging activity when compared with standard vitamin C (IC50 = 60.51 ± 1.02 µM). DFT used to calculate different reactivity factors including ionization potential, electronegativity, electron affinity, chemical softness, and chemical hardness were calculated using frontier molecular orbital (FMO) computations. The molecular docking studies for the synthesized derivatives with α-amylase were carried out using the AutoDock Vina to understand the binding affinities with active sites of the protein.

Efficient Screening of Metal Promoters of Pt Catalysts for C-H Bond Activation in Propane Dehydrogenation from a Combined First-Principles Calculations and Machine-Learning Study.

Platinum-based materials are the most widely used catalysts in propane direct dehydrogenation, which could achieve a balanced activity between both propane conversion and propene formation. One of the core issues of Pt catalysts is how to efficiently activate the strong C-H bond. It has been suggested that adding second metal promoters could greatly solve this problem. In the current work, first-principles calculations combined with machine learning are performed in order to obtain the most promising metal promoters and identify key descriptors for control performance. The combination of three different modes of adding metal promoters and two ratios between promoters and platinum sufficiently describes the system under investigation. The activity of propane activation and the formation of propene are reflected by the increase or decrease of the adsorption energy and C-H bond activation of propane and propene after the addition of promoters. The data of adsorption energy and kinetic barriers from first-principles calculations are streamed into five machine-learning methods including gradient boosting regressor (GBR), K neighbors regressor (KNR), random forest regressor (RFR), and AdaBoost regressor (ABR) together with the sure independence screening and sparsifying operator (SISSO). The metrics (RMSE and R2) from different methods indicated that GBR and SISSO have the most optimal performance. Furthermore, it is found that some descriptors derived from the intrinsic properties of metal promoters can determine their properties. In the end, Pt3Mo is identified as the most active catalyst. The present work not only provides a solid foundation for optimizing Pt catalysts but also provides a clear roadmap to screen metal alloy catalysts.

Metal-Free Electrocatalysts for the Selective 2 e- Oxygen Reduction Reaction: A Never-Ending Story?

Hydrogen peroxide (H2 O2 ) electrosynthesis via the 2e- Oxygen Reduction Reaction (ORR) represents a highly challenging, environmentally friendly and cost-effective alternative to the current anthraquinone-based technology. Various lightweight element hetero-doped carbon nanostructures are promising and cheap metal-free electrocatalysts for H2 O2 synthesis, particularly those containing O-functionalities. The exact role of O-containing functional groups as electroactive sites for the process remains debated if not highly controversial. Herein, we have reported on the covalent exohedral functionalization of the outer surface of extra-pure multi-walled carbon nanotubes (MWCNTs) with discrete O-functional groups as a unique approach to prepare selective electrocatalysts for the process. This kind of decoration has added fundamental tiles to the puzzling structure/reactivity relationship of O-containing carbon-based catalysts for ORR, clearing doubts on the controversial role of hydroxyl/phenol groups as key functionalities for the design of more performing 2e- ORR electrocatalysts.

Computational insights of excited state intramolecular proton transfer (ESIPT) based fluorescent detection and imaging of γ-glutamytranspeptidase activity.

γ-Glutamytranspeptidase (GGT) is an important tumor biomarker that widely appears in the tumor cells. Therefore, accurate imaging and detection of GGT activity in live cells, serum and pathological cells grasp great importance for the diagnosis, management, and treatment of cancer. Herein, 2-(2-hydroxyl-phenyl)-6-chloro-4-(3H)-quinazolinone (HPQ) is considered as the fluorophore probe for the detection of GGT activity, which is known for the typical mechanism of excited-state intramolecular proton transfer (ESIPT). All the simulations adopted to evaluate the sensing mechanism were carried out via DFT and TDDFT calculations at CAM-B3LYP/TZVP level of theory. The emission properties of HPQ and HPQ-TD are thoroughly studied to understand the photoinduced electron transfer (PET) and excited state intramolecular proton transfer (ESIPT) process. The results reveal that the fluorescence quenching of HPQ (enol form) is assigned to the PET process, whereas the large Stokes shift in fluorescence emission of HPQ (keto form) is related with ESIPT mechanism. The obtained results are further cross validated by frontier molecular orbital (FMO) analysis, geometric analysis, and potential energy curve (PEC) scanning. Our calculations provide powerful evidence for the ESIPT based sensing mechanism of HPQ (keto-enol form) for GGT activity.

Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: A first-principles-based microkinetic simulation.

HCl-assisted propane dehydrogenation (PDH) is an attractive route for propene production with good selectivity. In this study, the doping of CeO2 with different transition metals, including V, Mn, Fe, Co, Ni, Pd, Pt, and Cu, in the presence of HCl was investigated for PDH. The dopants have a pronounced effect on the electronic structure of pristine ceria that significantly alters the catalytic capabilities. The calculations indicate the spontaneous dissociation of HCl on all surfaces with a facile abstraction of the first hydrogen atom except on V- and Mn-doped surfaces. The lowest energy barrier of 0.50 and 0.51eV was found for Pd- and Ni-doped CeO2 surfaces. The surface oxygen is responsible for hydrogen abstraction, and its activity is described by the p-band center. Microkinetics simulation is performed on all doped surfaces. The increase in the turnover frequency (TOF) is directly linked with the partial pressure of propane. The adsorption energy of reactants aligned with the observed performance. The reaction follows first-order kinetics to C3H8. Furthermore, on all surfaces, the formation of C3H7 is found as the rate-determining step confirmed by the degree of rate control (DRC) analysis. This study provides a decisive description of catalyst modification for HCl-assisted PDH.

Pulmonary Nocardiosis In A Patient With Diabetes Mellitus.

Nocardiosis is considered as one of the rare systemic infections. It is usually prevalent in immunocompromised individuals though few cases have been reported in immunocompetent individuals as well. With the advent of new microbiological classifications and increasing progress in laboratory technology this infection is being diagnosed more frequently. Hence it is important to diagnose and treat this disease timely in order to reduce its associated morbidity and mortality. Nocardiosis is a rare condition and is often overlooked. Hence this case is presented.

Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination.

Deep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with NR was studied using density functional theory (DFT) calculations. Experimentally, a UV-visible spectrophotometer was used for the quantitative analysis. The most important parameters affecting method performance, such as pH, extraction temperature, DES type, its volume, THF volume, sonication time, and centrifugation time, were optimized. The developed method provides exceptional sensitivity in terms of LOD and LOQ, which were 2.2 and 7.3 µg/L respectively. The relative standard deviation was 1.35−1.5% (n = 10), and the pre-concentration factor was 40. The method was found to be linear in the range of 2−300 µg/L (R2 = 0.9967). The method was successfully used for the determination of NR in wastewater samples. Finally, the DES-based method presents operational simplicity, high sensitivity, and rapid determination (<5 min) compared with other analytical procedures.

Ultrasound-assisted deep eutectic solvent-based liquid-liquid microextraction for simultaneous determination of Ni (II) and Zn (II) in food samples.

A new approach was developed for the simultaneous pre-concentration and determination of Ni (II) and Zn (II) in food samples. This method is based on ultrasound-assisted liquid-liquid micro extraction using hydrophobic deep eutectic solvent (DES) and 1,10-phenanthroline as chelating agent. The effect of several parameters, such as pH, selection and volume of DES, amount of chelating agent, time of sonication and centrifugation, was studied. Under optimized conditions, the developed procedure offered exceptional sensitivity and linearity. The limit of detection was approximately 0.029 µg/Kg and 1.5 µg/Kg for Ni (II) and Zn (II), respectively. The proposed method was applied for the pre-concentration and determination of Ni (II) and Zn (II) in hydrogenated edible oils, fishes, and milk samples. The results of this study were compared with reported methods in the literature revealing its advantages.

A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation.

Propane dehydrogenation under CO2 is an important catalytic route to obtain propene with a good balance between selectivity and stability. However, a precise description of the catalytic role of CO2 in propane dehydrogenation is still absent. In this work, we focus on the elucidation of the role of CO2 by using DFT-based microkinetic simulation. The influence of CO2 is categorized as direct and indirect effects. It was found that the chemisorbed CO2 can directly abstract hydrogen from propane and propyl with a comparable barrier to the counterpart at the surface oxygen site. On the other hand, the dissociation of CO2 yields active surface species of CO* and O* which are actively involved in the removal of surface hydroxyls. It is found that the TOFs of both propane conversion and propene formation are significantly increased with the presence of CO2, which is explained by the reduced apparent activation energy. The primary hydrogen abstraction is identified to be the most influential step from the DRC analysis. The main effects of CO2 are concluded to be removing hydrogen and restoring oxygen vacancies from reaction pathway analysis.

Revealing the role of HBr in propane dehydrogenation on CeO2(111) via DFT-based microkinetic simulation.

HBr, as a soft oxidant, has been demonstrated to have a good balance between stability and selectivity in catalytic propane dehydrogenation. However, the origin of enhancements induced by HBr (hydrobromic acid) remains elusive. In this study, DFT-based microkinetic simulations were performed to reveal the reaction pathway and performance of propane dehydrogenation catalyzed by CeO2 in the presence of HBr. Three scenarios were under the investigations, which are pristine, dissociated HBr, and Br assisted surface hydroxyl. The calculations indicated that HBr significantly enhanced the adsorption of propane and provided alternative pathways for propene formation. More significantly, the energy barrier of C-H bond activation in propane was reduced with the assistance of HBr. It was very interesting to find that the reactivity of surface hydroxyl remarkably increased for C-H bond activation in the presence of HBr. The positive role of HBr is clearly evident from the microkinetic simulation. The TOFs of both propane conversion and propene formation increased after the introduction of HBr, which correlates with the apparent decreased activation energy. The reaction rate has a first order dependence on C3H8 and zero order dependence on HBr. The current study lays out a solid basis for further optimization of the performance of propane dehydrogenation.

Machine Learning Derived Blueprint for Rational Design of the Effective Single-Atom Cathode Catalyst of the Lithium-Sulfur Battery.

The "shuttle effect" and sluggish kinetics at cathode significantly hinder the further improvements of the lithium-sulfur (Li-S) battery, a candidate of next generation energy storage technology. Herein, machine learning based on high-throughput density functional theory calculations is employed to establish the pattern of polysulfides adsorption and screen the supported single-atom catalyst (SAC). The adsorptions are classified as two categories which successfully distinguish S-S bond breaking from the others. Moreover, a general trend of polysulfides adsorption was established regarding of both kind of metal and the nitrogen configurations on support. The regression model has a mean absolute error of 0.14 eV which exhibited a faithful predictive ability. Based on adsorption energy of soluble polysulfides and overpotential, the most promising SAC was proposed, and a volcano curve was found. In the end, a reactivity map is supplied to guide SAC design of the Li-S battery.

In vitro examination of anti-parasitic, anti-Alzheimer, insecticidal and cytotoxic potential of Ajuga bracteosa Wallich leaves extracts.

This research study is mainly focused to evaluate the anti-parasitic, insecticidal, cytotoxic and anti-alzheimer potential of various leaf extracts of Ajuga bracteosa Wallich ex Bentham. 04 different extracts were prepared using solvent of different polarity to determine the best candidate for potent bioactivity i.e. n-hexane (NH), Ethyl acetate (EA), Ethanol (EL) and Chloroform (CH). Concentrations of each extracts were made specified for all activities. All extracts were exploited for broad range of biomedical applications including leishmaniasis, in vitro anti-Alzheimer, insecticidal and cytotoxic studies. Our results showed that A. bracteosa n-hexane extract was highly active against Leishmania Tropica with significant inhibition of 58 ± 1.61 for promastigote and 63 ± 2.29 for amastigote at 1000 µg/mL. Furthermore, promising anti-alzheimer activity acetylcholinesterase (AChE) 46 ± 0.83 and butrylcholineterase (BChE) 49 ± 1.17 was noted for n-hexane. The insecticidal potential of these extracts were test against five different insects (Rhyzopertha dominica, Trogoderma granarium, Tribolium castaneum, Sitophilus oryze, and Callosobruchus analis). The higest mortality rate of insecticidal activity was recorded by n-hexane followed by Ethyl acetate whereas ethanol extract was found to be less effective against all the test species. Significant cytotoxic potential of each plant sample against Artemia salina thus aware us for further detailed research to find out novel drugs. Based on our results we believe that Ajuga bracteosa could be used to develop as a potential botanical insecticide against different insect and pests, such as aphids as well as an excellent source for the compound isolation as anti-tumor agent.

Green Synthesis of Zinc Oxide (ZnO) Nanoparticles Using Aqueous Fruit Extracts of Myristica fragrans: Their Characterizations and Biological and Environmental Applications.

In the present work, bioaugmented zinc oxide nanoparticles (ZnO-NPs) were prepared from aqueous fruit extracts of Myristica fragrans. The ZnO-NPs were characterized by different techniques such as X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, ultraviolet (UV) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), dynamic light scattering (DLS), and thermogravimetric analysis (TGA). The crystallites exhibited a mean size of 41.23 nm measured via XRD and were highly pure, while SEM and TEM analyses of synthesized NPs confirmed their spherical or elliptical shape. The functional groups responsible for stabilizing and capping of ZnO-NPs were confirmed using FTIR analysis. The ζ-size and ζ-potential of synthesized ZnO-NPs were reported as 66 nm and -22.1 mV, respectively, via the DLS technique can be considered as moderate stable colloidal solution. Synthesized NPs were used to evaluate for their possible antibacterial, antidiabetic, antioxidant, antiparasitic, and larvicidal properties. The NPs were found to be highly active against bacterial strains both coated with antibiotics and alone. Klebsiella pneumoniae was found to be the most sensitive strain against NPs (27 ± 1.73) and against NPs coated with imipinem (26 ± 1.5). ZnO-NPs displayed outstanding inhibitory potential against enzymes protein kinase (12.23 ± 0.42), α-amylase (73.23 ± 0.42), and α-glucosidase (65.21 ± 0.49). Overall, the synthesized NPs have shown significant larvicidal activity (77.3 ± 1.8) against Aedes aegypti, the mosquitoes involved in the transmission of dengue fever. Similarly, tremendous leishmanicidal activity was also observed against both the promastigote (71.50 ± 0.70) and amastigote (61.41 ± 0.71) forms of the parasite. The biosynthesized NPs were found to be excellent antioxidant and biocompatible nanomaterials. Biosynthesized ZnO-NPs were also used as photocatalytic agents, resulting in 88% degradation of methylene blue dye in 140 min. Owing to their eco-friendly synthesis, nontoxicity, and biocompatible nature, ZnO-NPs synthesized from M. fragrans can be exploited as potential candidates for biomedical and environmental applications.

In Vitro Biomedical and Photo-Catalytic Application of Bio-Inspired Zingiber officinale Mediated Silver Nanoparticles.

To minimize the hazardous effect of physical and chemical synthesis of nanoparticles we focused on the green synthesis of nanoparticles. Nanotechnology is a research hotspot and catch great attention because of its versatile applications in medical, biosciences and engineering fields. Purpose of our recent study is to synthesize bio-inspired metallic silver NPs by root mediated Zingiber officianale extract. The synthesized Ag-NPs were further characterized by using UVVisible spectroscopy, XRD, EDX, SEM, TEM and DLS techniques. The extent of crystallites were confirmed by X-ray diffraction. SEM and TEM revealed the morphological features with size of nanoparticles between 17.3 and 41.2 nm. FTIR analysis confirmed the capping of nanoparticles by bio active constituents present in Zingiber officinale extract. Later EDX confirmed the elemental composition of nanoparticles. Zeta potential, PDI and hydrodynamic size of Ag-NPs were confirmed by DLS. The synthesize Ag-NPs possess eminent biological potency against bacterial and leishmanial strains. Moreover considerable anti-diabetic, anticancer, antioxidant and biocompatibility nature of Ag-NPs was elucidated. The highest antioxidant activity of 50.61± 1.12%, 38.22 ± 1.18% and 27.39 ± 0.92 at 200 g/mL for TAC, TRP DPPH and was observed respectively. Ag-NPs exhibit potent leishmanicidal activity of 80% ± 1.4 against promastigotes and 77% ± 1.6 against amastigotes cultures of L. tropica. Highest antidiabetic activity 30 ± 0.77% recorded at 200 µg/ml. Highest Brine shrimps cytotoxicity of Ag-NPs was 60 ± 1.18 at 200 g/ml. Maximum dye degradation for Ag-NPs was recorded as 94.1% at 140 minute. All UTI isolates were resistant to antibiotics not coated with Ag-NPs. By applying 1% of Ag-NPs highest activity was recorded as 25 ± 1.58 mm against K. pneumoniae. Maximum zone of inhibition for Ag-NPs coated with Imipenem antibiotics 26 ± 1.5 mm against K. pneumoniae and coated with Ciprofloxacin 26 ± 1.4 m against S. aureus were measured. Last but not least high biocompatible nature of Ag-NPs was observed against fresh RBCs making the ecofriendly biosynthesized silver NPs a multi-dimensional candidate in biomedical field.

Occurrence of adverse events in patient receiving community-based therapy for multidrug-resistant tuberculosis in Pakistan.

INTRODUCTION: Pakistan ranks 4th among 22 multidrug resistant tuberculosis (MDR-TB) high burden countries. The increasing rate of MDR-TB in Pakistan underscores the importance of effective treatment programs of drug-resistant TB. Clinical management of MDR-TB requires prolonged multidrug regimens that often cause adverse events (AEs). MATERIALS AND METHODS: This retrospective case series study include all patients who were enrolled for MDR-TB treatment during January 2014 till April 2015 at Programmatic Management of Drug Resistant TB (PMDT) unit at tertiary care hospital, Lady Reading Hospital (LRH) Peshawar Pakistan. In this study we sought to ascertain the occurrence of treatment related adverse events and factors associated with these events. Here we also examined the frequency of and reasons for changing drug regimens. We further sought to determine whether the occurrence of adverse events negatively impacts the treatment outcome and management of adverse effects without requiring the discontinuation of MDR-TB therapy. RESULT: At the time of analysis final outcomes of all 200 enrolled patients exist. Among these 52.5% were females and (81.5%) were aged ≤ 44 years. Among study cases 155 (77.2%) experienced at least one adverse event during treatment. The most commonly reported events were psychiatric issues (70%) whereas the less common was skin rashes (7.5%). A change in drug dose due to adverse events occurred in 16.5% cases, while 13.5% cases had at least one drug discontinued temporarily. Younger age and lung cavities at baseline were positive association with occurrence of adverse events. Association was also found between adverse events and treatment outcomes (OR 0.480, 0.236-0.978, p= 0.041). CONCLUSIONS: Adverse events were prevalent among MDR-TB patients treated at PMDT-LRH Peshawar. All patients who were younger aged and cavitory lungs should be closely monitored for occurrence of adverse events.

Drug resistance pattern in Mycobacterium tuberculosis to the first line drugs of pulmonary tuberculosis patients at Hazara Region, Pakistan.

INTRODUCTION: Multidrug resistant TB (MDR-TB), defined as resistance to at least rifampicin and isoniazid together, has been rapidly spreading in recent years. In new pulmonary tuberculosis patients, rapid spread of MDR-TB and XDR-TB challenging the effectiveness of national TB control programs especially in many low-income countries. This study was aimed to determine the resistance pattern of Mycobacterium tuberculosis among new cases, cured, failure, relapse, defaulted, treatment completed, treatment not evaluated and suspect to be resistant to first line antitubercular drugs of pulmonary tuberculosis (PTB). MATERIALS AND METHODS: The study was conducted during 2013-2016 in which 148 patients were enrolled infected with pulmonary TB. Three sputum samples were consecutively collected and transported for drug analysis to the Provincial Reference Laboratory (PRL) at Hayatabad Medical complex Peshawar (HMCP) TB laboratory, within three days of collection at +4°C in a cold box. Using the standard proportion method, drug susceptibility test was performed on 132 (89.2%) sputum samples for rifampicin (R), isoniazid (H), pyrazinamide (Z), ethambutol (E), and streptomycin (S). RESULT: Prevalence of resistance to one drug was 5 (3.4%). The highest proportion of mono-drug resistance was observed against E, 3 (2%), followed by H, 1 (0.7%), and R, 1 (0.7%). Pattern of resistant to two drugs was 14 (9.5%). The proportion of poly resistant was 3 (2%). 112 (93.33%) diagnose patients were MDR-TB. CONCLUSIONS: To formulate an effective regimen, it is important to know drug resistant pattern because drug resistant pattern varies from different period of time also from one place to another.

Electrolytes imbalance caused by amikacin in patients receiving multi drug resistance- tuberculosis treatment at Hazara region Kpk, Pakistan.

INTRODUCTION: Multi drug resistance-tuberculosis (MDR-TB) is considered amongst one of the fatal medical and public health issue. Greater frequency of adverse reactions has been observed using 2nd line antituberculosis drugs, which rises the rate of morbidity. Hypokalemia and hyponatremia are common in patients receiving MDR-TB treatment. MATERIALS AND METHODS: This study was aimed to assess the effect of amikacin as multidrug resistance tuberculosis treatment on serum sodium and potassium level. A total 179 subjects (82 males and 97 females) were screened within the period of one year for their serum electrolyte levels before and during the treatment. Their body weight and sociodemographic characteristics were also taken into considerations. Data were expressed in the form of mean ± standard error using One-way analysis of variance (ANOVA), followed by Dunnett's test. All the statistical analyses were performed using GraphPad Prism v. 6. RESULT: The results showed that amikacin caused a significant (p< 0.05) hypokalemia when used in combination with other drugs having no known effect on serum potassium level which proved to be the side effect of amikacin. The average serum potassium level in both intensive and continuation phase was significantly lower (p< 0.05) than the baseline (3.73 mmol/L), however, in the continuation phase the potassium level (3.58 mmol/L) was slightly higher than that of intensive phase (3.54 mmol/L). The average serum sodium level in both phases; intensive and continuation, remained in steady state (137.25 mmol/L and 137.87 mmol/L respectively) throughout the study period as compared to the base line (135.5 mmol/L). The amikacin drug lowered serum potassium level but had no effect on sodium level. CONCLUSIONS: It is concluded that the serum electrolytes should be monitored during the course of treatment and corrected accordingly.