Impact of IL-6 rs1800795 and IL-17A rs2275913 gene polymorphisms on the COVID-19 prognosis and susceptibility in a sample of Iranian patients.

BACKGROUND: From asymptomatic to acute and life-threatening pulmonary infection, the clinical manifestations of COVID-19 are highly variable. Interleukin (IL)-6 and IL-17A are key drivers of hyper inflammation status in COVID-19, and their elevated levels are hallmarks of the infection progression. To explore whether prognosis and susceptibility to COVID-19 are linked to IL-6 rs1800795 and IL-17A rs2275913, these single-nucleotide polymorphisms (SNPs) were assessed in a sample of Iranian COVID-19 patients. METHODS: This study enrolled two hundred and eighty COVID-19 patients (140 non-severe and 140 severe). Genotyping for IL-6 rs1800795 and IL-17A rs2275913 was performed using tetra primer-amplification refractory mutation system-polymerase chain reaction (tetra-ARMS-PCR). IL-6 and IL-17A circulating levels were measured using enzyme-linked immunosorbent assay (ELISA). Also, mortality predictors of COVID-19 were investigated. RESULTS: The rs1800795 GG genotype (78/140 (55.7 %)) and G allele (205/280 (73.2 %)) were significantly associated with a positive risk of COVID-19 severe infection (OR = 2.19, 95 %CI: 1.35-3.54, P =.006 and OR = 1.79, 95 %CI: 1.25-2.56, P <.001, respectively). Also, rs1800795 GG genotype was significantly linked to disease mortality (OR = 1.95, 95 %CI: 1.06-3.61, P =.04). The rs2275913 GA genotype was protective against severe COVID-19 (OR = 0.5, 95 %CI: 0.31--0.80, P =.012). However, the present study did not reveal any significant link between rs2275913 genotypes with disease mortality. INR ≥ 1.2 (OR = 2.19, 95 %CI: 1.61-3.78, P =.007), D-dimer ≥ 565.5 ng/mL (OR = 3.12, 95 %CI: 1.27-5.68, P =.019), respiratory rate ≥ 29 (OR = 1.19, 95 %CI: 1.12-1.28, P =.001), IL-6 serum concentration ≥ 28.5 pg/mL (OR = 1.97, 95 %CI: 1.942-2.06, P =.013), and IL-6 rs1800795 GG genotype (OR = 1.95, 95 %CI: 1.06-3.61, P =.04) were predictive of COVID-19 mortality. CONCLUSION: The rs1800795 GG genotype and G allele were associated with disease severity, and INR, D-dimer, respiratory rate, IL-6 serum concentration, and IL-6 rs1800795 GG genotype were predictive of COVID-19 mortality.

Modeling and optimization of laying hen manure drying process to reduce protein and ammonium-N losses by adding sodium bentonite and wheat straw.

Laying hen manure (LHM) is a major source of pollution due to its high nitrogen (N) and moisture content (MC). Therefore, reducing the MC of LHM is necessary to retain its recyclable value and reduce environmental pollution. One effective way is by incorporating sodium bentonite (SB) and wheat straw (WS) as amendments in the LHM. This work aimed to optimize the drying conditions of LHM and investigate the effect of SB and WS utilization on the dehydration rate, reduction of crude protein (CP), and reduction of ammonium-N (N [Formula: see text] -N). The response surface methodology (RSM) was used to optimize these processes. For this purpose, two sets of experiments (drying of LHM with and without SB and Ws) were designed. The independent parameters were air temperature (70, 80, and 90 °C), air velocity (1, 1.5, and 2 m s-1), layer thickness (5, 10, and 15 mm), SB (2%, 4%, and 6%), and WS (3%, 7.5%, and 12%). The results indicated that temperature and WS had the most significant influence on all responses. To maximize the dehydration rate and minimize the reduction of CP and N [Formula: see text] -N, the optimal conditions were a temperature of 78 °C, air velocity of 1 m s-1, and layer thickness of 5 mm in the first set of experiments, and a temperature of 80 °C, air velocity of 1.5 m s-1, layer thickness of 11 mm, 6% SB, and 12% WS in the second set of experiments. Under the optimum conditions, LHM treated with 6% SB and 12% WS retained 10% more CP and 58% more N [Formula: see text] -N than untreated LHM. Therefore, according to the obtained results, SB and WS are recommended as additives to reduce the CP and N [Formula: see text] -N losses of LHM during the drying process.

Design, synthesis, characterization, crystal structure, in silico studies, and inhibitory properties of the PEPPSI type Pd(II)NHC complexes bearing chloro/fluorobenzyl group.

This work contains synthesis, characterization, crystal structure, and biological activity of a new series of the PEPPSI type Pd(II)NHC complexes [(NHC)Pd(II)(3-Cl-py)]. NMR, FTIR, and elemental analysis techniques were used to characterize all (NHC)Pd(II)(3-Cl-py) complexes. Also, molecular and crystal structures of complex 1c were established by single-crystal X-ray diffraction. Regarding the X-ray studies, the palladium(II) atom has a slightly distorted square-planar coordination environment. Additionally, the enzyme inhibitory effect of new (NHC)Pd(II)(3-Cl-py) complexes (1a-1g) was studied. They exhibited highly potent inhibition effect on acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and carbonic anhydrases (hCAs) (Ki values are in the range of 0.08 ± 0.01 to 0.65 ± 0.06 µM, 10.43 ± 0.98 to 22.48 ± 2.01 µM, 6.58 ± 0.30 to 10.88 ± 1.01 µM and 6.34 ± 0.37 to 9.02 ± 0.72 µM for AChE, BChE, hCA I, and hCA II, respectively). Based on the molecular docking, among the seven synthesized complexes, 1c, 1b, 1e, and 1a significantly inhibited AChE, BChE, hCA I, and hCA II enzymes, respectively. The findings highpoint that (NHC)Pd(II)(3-Cl-py) complexes can be considered as possible inhibitors via metabolic enzyme inhibition.

Synthesis, characterization, biochemical, and molecular modeling studies of carvacrol-based new thiosemicarbazide and 1,3,4-thiadiazole derivatives.

A series of carvacrol-based thiosemicarbazide (3a-e) and 1,3,4-thiadiazole-2-amine (4a-e) were designed and synthesized for the first time. The structures were characterized by nuclear magnetic resonance and high resolution mass spectroscopy techniques. All compounds were examined for some metabolic enzyme activities. Results indicated that all the synthetic molecules exhibited powerful inhibitory actions against human carbonic anhydrase I and II (hCAI and II), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) enzymes compared to the standard molecules. Ki values of five novel thiosemicarbazides and five new 1,3,4-thiadiazole-2-amine derivatives (3a-e and 4a-e) for hCA I, hCA II, AChE, and BChE enzymes were obtained in the ranges 0.73-21.60, 0.42-15.08 µM, 3.48-81.48, 92.61-211.40 nM, respectively. After the experimental undertaking, an extensive molecular docking analysis was conducted to scrutinize the intricate details of interactions between the ligand and the enzyme in question. The principal focus of this investigation was to appraise the potency and efficacy of the most active compound. In this context, the calculated docking scores were noted to be remarkably low, with values of -8.65, -7.97, -8.92, and -8.32 kcal/mol being recorded for hCA I, hCA II, AChE, and BChE, respectively. These observations suggest a high affinity and specificity of the studied compounds toward the enzymes, as mentioned earlier, which may pave the way for novel therapeutic interventions aimed at modulating the activity of these enzymes.

Evaluation of cell-free DNA accuracy as diagnostic biomarker for prostate cancer: A systematic review and meta-analysis.

PURPOSE: This updated meta-analysis aimed to assess the diagnostic performance of circulating cell-free DNA (cf-DNA) for prostate cancer (PCa). METHODS: A systematic search was conducted in PubMed, Scopus, Web of Science, and Embase databases to retrieve related studies. Several diagnostic estimates, including sensitivity (SE), specificity (SP), likelihood ratios (LRs), and diagnostic odds ratio (DOR) were also used to perform the meta-synthesis. Additionally, the area under hierarchical summary receiver operating characteristic curves (AU-HSROC) was used as a global measure of test accuracy. RESULTS: Twenty-nine unique articles were enrolled in the meta-analysis. Pooled SE and SP for overall accuracy of cf-DNA in PCa were obtained as 0.54 (95% CI: 0.47-0.61) and 0.92 (95% CI: 0.88-0.95), respectively. Positive LR (PLR) was 6.8 (95% CI: 4.9-9.5, I2 : 92.98%) and negative LR (NLR) was 0.5 (95% CI: 0.43-0.58). Pooled DOR was 13.56 (95% CI: 9.49-19.37) and the AU-HSROC was 0.83 (95% CI: 0.79-0.86). CONCLUSION: The present study suggested that cf-DNA assays have comparable SE as well as remarkably higher SP (qualitative assays) than common biomarkers in the detection of PCa like prostate-specific antigen (PSA). In addition, cf-DNA assays have better performance in PCa confirmation and almost similar performance to PSA in excluding PCa patients.

CD93 hematopoietic stem cells improve diabetic wound healing by VEGF activation and downregulation of DAPK-1.

Diabetes is associated with numerous complications, such as diabetic skin wounds or ulcerations. The aim of this study was to evaluate experimentally the effectiveness of applying polycaprolactone (PCL)-gelatin scaffold, with or without rat CD93 hematopoietic stem cells (HSCs), in diabetic wound healing in a rat model. CD93 HSCs were aseptically isolated from rat bone marrow using fluorescent activated cell sorting (FACS) method and FACS-SORTER. A total of 25 Wistar rats were divided into five groups including Group I (sham, nondiabetic, and wound covered only with sterile dressing), II (control, diabetic rat), III (CD93 HSCs alone), IV (PCL-gelatin scaffold), and V (CD93 HSCs+PCL-gelatin scaffold). Animals were killed on Days 7, 14, or 28 posttreatment and histological sections were blindly evaluated by two expert pathologists. Death-associated protein kinase 1 (DAPK-1) gene and vesicular endothelial growth factors (VEGF) protein expression were evaluated using reverse transcription-polymerase chain reaction and western blot, respectively. The thickest and the thinnest epidermises microscopically were belonged to CD93+HSCs+scaffold and the control group, respectively. The growth rate of the epidermis and adnexal epithelia was the highest in both the cell and cell+scaffold groups. Evaluation of the protein expression level of VEGF indicated that the expression levels of this growth factor were the most on Day 7 posttreatment in sham, HSCs alone, and HSCs cell+scaffold groups. While the lowest expression levels of this growth factor was detected in the control and scaffold groups. The gene expression level of DAPK-1 on Day 7 posttreatment was higher than that of the Day 14 posttreatment in all groups. The highest and lowest gene expression levels of DAPK-1 belonged to control and sham groups, respectively. According to our findings, CD93 HSCs offer new prospects for the treatment of diabetic ulcers and concomitant application of these cells with PCL-gelatin nanofiber scaffold significantly improves diabetic wound treatment.

Effect of 12-Week Rebound Therapy Exercise on Static Stability of Patients With Spinal Cord Injury.

Background: To resolve the impairments associated with spinal cord injury (SCI), such as decreased balance, patients have been recommended to undergo various therapeutic strategies, including the use of different physical exercise methods. The aim of this study was to evaluate the efficiency of using rebound therapy (exercise on a trampoline) on SCI individuals' static stability. Methods: Sixteen people with SCI (American Spinal Cord Association classification: A = 6, B = 6, C = 2, and D = 2) were randomly assigned to an experimental (rebound exercise) group or a control group. The rebound therapy exercise program, lasting 12 weeks, was performed by means of a modified trampoline. During the said period, the experimental group received rebound therapy exercise for 10 to 30 minutes 3 sessions a week. Standing stability parameters (ie, excursion, velocity, and path length of the center of pressure in mediolateral and anteroposterior plane) were assessed before and after the exercise intervention by Kistler force plate (50 × 60 cm). Data were analyzed by repeated measures analysis of variance. Results: Significant interactions were observed for all 6 dependent variables except excursion of the center of pressure in mediolateral and the path length of center of pressure in anteroposterior plane (P < .01). This means that the control group had no progress, whereas the experimental group made a significant improvement in terms of static stability. Conclusion: The results of this study confirmed that rebound therapy could reinforce the static stability of individuals with SCI during motionless standing. It suggests that rebound exercise is a useful sports rehabilitation method for patients with SCI and other wheelchair-bound individuals.

Classification of Bitter Orange Essential Oils According to Fruit Ripening Stage by Untargeted Chemical Profiling and Machine Learning.

The quality and composition of bitter orange essential oils (EOs) strongly depend on the ripening stage of the citrus fruit. The concentration of volatile compounds and consequently its organoleptic perception varies. While this can be detected by trained humans, we propose an objective approach for assessing the bitter orange from the volatile composition of their EO. The method is based on the combined use of headspace gas chromatography⁻mass spectrometry (HS-GC-MS) and artificial neural networks (ANN) for predictive modeling. Data obtained from the analysis of HS-GC-MS were preprocessed to select relevant peaks in the total ion chromatogram as input features for ANN. Results showed that key volatile compounds have enough predictive power to accurately classify the EO, according to their ripening stage for different applications. A sensitivity analysis detected the key compounds to identify the ripening stage. This study provides a novel strategy for the quality control of bitter orange EO without subjective methods.

Improvement of ethanol and biogas production from sugarcane bagasse using sodium alkaline pretreatments.

Sugarcane bagasse was pretreated with sodium carbonate, sodium sulfite, and sodium acetate in concentrations of 0.5 M and 0.25 M, as well as hydrothermal pretreatment, to break down its structural recalcitrance and improve biogas and ethanol production. The pretreatments were conducted at 100, 140, and 180 °C for 1 h. The highest biogas and ethanol production was observed for sugarcane bagasse pretreated with 0.5 M sodium carbonate solution at 140 °C, which was 239 ±â€¯20 Nml CH4/g VS, and 7.27 ±â€¯0.70 g/l, respectively, containing gasoline equivalents of 164.2 ±â€¯14.3 l/ton of raw bagasse and 147.8 ±â€¯14.2 l/ton of raw bagasse, respectively. The highest gasoline equivalent was obtained for biogas production from the substrate pretreated with 0.5 M sodium sulfite solution at 100 °C (190.2 ±â€¯2.1 l/ton of raw bagasse). In comparison to sodium carbonate and sodium sulfite, sodium acetate had less effect on biofuel production and was comparable with hydrothermal pretreatment. In contradiction to sodium acetate pretreated bagasse, in which increased pretreatment temperature intensified biofuel production, a reduction of biofuel production was observed for sodium carbonate and sodium sulfite pretreatment when temperature was increased from 140 to 180 °C. Besides considerable amounts of biofuel production at the best conditions obtained, over 762 and 543 kilotons of equivalent CO2 can be reduced annually in Iran by biogas and ethanol production from sugarcane, respectively.

Role of Structural Peculiarities of Flavonoids in Suppressing AGEs Generated From HSA/Glucose System.

The pathogenesis of diabetes is related to the amount of advanced glycation end products (AGEs) that are naturally generated from the attachment of glucose with tissue and circular proteins. Human serum albumin (HSA) is more susceptible to AGE occurrence than other circular proteins due to its sensitive sites and high abundance. Considering the location of hydroxyl groups in the structure of flavonoids, which play a major role in suppressing of AGEs generating pathways, the present study was conducted to compare the effect of the chemical peculiarities of five flavonoids: apigenin (AP), naringenin (NA), luteolin (LU), Quercetin (QU), and methylquercetin (MQ), in suppressing AGEs generated in the HSA/glucose system. The results showed that all used flavonoids are capable of quenching the fluorescence intensity of AGEs in vitro. Analytical methods including UV-visible spectroscopy, CD spectro-polarimetry, TNBS, DTNB, DNPH, Congo red assay, ThT, and ANS fluorescence were used to deeper analysis of flavonoid performance. The anti-AGE effects of flavonoids followed the order of LU > QU > MQ > AP > NA. Docking results showed that flavonoids are associated with glycation-prone lysines and arginine residues in the "Sudlow pocket" through non-covalent interactions. Hydroxylation at the C4' and the double bond between C2-C3 increase the antiglycation potential of used flavonoids, while methylation of the OH group at the C3 position decreases this effect. It was also found that hydroxylation at C3 can play a dual role in anti-glycation ability. These findings may introduce a new approach to the structure-inhibition relationship of flavonoids in the design of operative anti-glycemic agents.

Drug repurposing for diabetes mellitus: In silico and in vitro investigation of DrugBank database for α-glucosidase inhibitors.

The process of developing novel compounds/drugs is arduous, time-intensive, and financially burdensome, characterized by a notably low success rate and relatively high attrition rates. To alleviate these challenges, compound/drug repositioning strategies are employed to predict potential therapeutic effects for DrugBank-approved compounds across various diseases. In this study, we devised a computational and enzyme inhibitory mechanistic approach to identify promising compounds from the pool of DrugBank-approved substances targeting Diabetes Mellitus (DM). Molecular docking analyses were employed to validate the binding interaction patterns and conformations of the screened compounds within the active site of α-glucosidase. Notably, Asp352 and Glu277 participated in interactions within the α-glucosidase-ligand complexes, mediated by conventional hydrogen bonding and van der Waals forces, respectively. The stability of the docked complexes (α-glucosidase-compounds) was scrutinized through Molecular Dynamics (MD) simulations. Subsequent in vitro analyses assessed the therapeutic potential of the repositioned compounds against α-glucosidase. Kinetic studies revealed that "Forodesine" exhibited a lower IC50 (0.24 ± 0.04 mM) compared to the control, and its inhibitory pattern corresponds to that of competitive inhibitors. In-depth in silico secondary structure content analysis detailed the interactions between Forodesine and α-glucosidase, unveiling significant alterations in enzyme conformation upon binding, impacting its catalytic activity. Overall, our findings underscore the potential of Forodesine as a promising candidate for DM treatment through α-glucosidase inhibition. Further validation through in vitro and in vivo studies is imperative to confirm the therapeutic benefits of Forodesine in conformational diseases such as DM.

Identification of cholinesterases inhibitors from flavonoids derivatives for possible treatment of Alzheimer's disease: In silico and in vitro approaches.

Nowadays, one of the methods to prevent the progress of Alzheimer's disease (AD) is to prescribe compounds that inhibit the acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Researchers are actively pursuing compounds, particularly of natural origin, that exhibit enhanced efficacy and reduced side effects. The inhibition of AChE and BChE using natural flavonoids represents a promising avenue for regulating AD. This study aims to identify alternative flavonoids capable of modulating AD by down-regulating AChE and BChE activity through a molecular docking approach. Molecular docking analysis identified Ginkgetin and Kolaflavanone as potent inhibitors of AChE and BChE, respectively, among the selected flavonoids. Asn87 and Ala127 involved in the interactions of AChE-Ginkgetin complex through conventional hydrogen bonds. While in the BChE-Kolaflavanone complex, Asn83, Ser79, Gln 47, and Ser287 are involved. In vitro analysis further corroborated the inhibitory potential, with Ginkgetin exhibiting an IC50 of 3.2 mM against AChE, and Kolaflavanone displaying an IC50 of 3.6 mM against BChE. These findings underscore the potential of Ginkgetin and Kolaflavanone as candidate inhibitors for the treatment of AD through the inhibition of AChE and BChE enzymes. Nevertheless, additional in vitro and in vivo studies are imperative to validate the efficacy of these compounds.

Starch biocomposites preparation by incorporating organosolv lignins from potato crop residues.

Plastic wastes accumulated due to food packaging pose environmental threats. This study proposes biopolymeric films containing lignins extracted from potato crop residues (PCR) through organosolv treatment as a green alternative to non-degradable food packaging. The isolation process yielded 43.9 wt% lignins with a recovery rate of 73.5 wt% achieved under optimum conditions at 180 °C with 50 % v/v ethanol. The extracted lignins were then incorporated into a starch matrix to create biocomposite films. ATR-FTIR analysis confirmed interactions between the starch matrix and extracted lignins, and XRD analysis showed the amorphous structure of lignins, reducing film crystallinity. The addition of 1 wt% of extracted lignins resulted in a 87 % reduction in oxygen permeability, a 25 % increase in the thermal stability of the film, and a 78 % enhancement in antioxidant. Furthermore, introducing 3 wt% lignins led to the lowest water vapor transmission rate, measuring 9.3 × 10-7 kg/s·m2. Morphological studies of the films demonstrated a homogeneous and continuous structure on both the surface and cross-sectional areas when the lignins content was below 7 wt%. These findings highlight the potential of using organosolv lignins derived from potato crop residues as a promising additive for developing eco-friendly films designed for sustainable food packaging.

New amide and diterpene alkaloids with anticholinesterase activity from Delphinium cyphoplectrum roots.

BACKGROUND: The cholinergic hypothesis posits a robust correlation between the onset of Alzheimer's disease and a pronounced deficit in acetylcholine, a pivotal neurotransmitter crucial for the central cholinergic nervous system's function, pivotal for memory and learning. Diterpene alkaloids exhibit intricate and distinctive chemical structures that facilitate their passage through the blood-brain barrier. Moreover, their potent pharmacological attributes render them promising candidates for addressing central nervous system disorders. OBJECTIVES: This investigation aims to scrutinize the alkaloidal composition of Delphinium cyphoplectrum (Ranunculaceae) roots, further exploring their anticholinesterase inhibitory activity and mode of inhibition. METHOD: Innovative chromatography techniques were repetitively employed to purify the alkaloids. Acetylcholinesterase (AChE) inhibition assays were conducted using Ellman's tests. The mode of inhibition was meticulously characterized through Michaelis-Menten, and Lineweaver-Burk plots. Conducting molecular docking studies, we employed the AUTO DOCK 4.2 software package. RESULTS: Eight alkaloids were identified including five C19-diterpene alkaloids (6,14,16,18-tetramethoxy-1,7,8-trihydroxy-4-methylaconitane (1), 6,16,18-trimethoxy-1,7,8,14-tetrahydroxy-4-methylaconitane (2), 6,8,16,18-tetramethoxy-1,7,14-trihydroxy-4-methylaconitane (3), 6,14,16-trimethoxy-1,7,8,18-tetrahydroxy-4-methylaconitane (4), and 14-O-acetyl-8,16-dimethoxy-1,6,7,18-tetrahydroxy-4-methylaconitane (5)), an epoxy C18-diterpene alkaloid (6,8,16-trimethoxy-1,7,14-trihydroxy-3,4-epoxyaconitane (6)), a known (pyrrolidin-2-one (7) and an undescribed amide alkaloid (1-(2'-hydroxylethylamine)-3,5,5,-trimethyl-1,5-dihydro-2H-pyrrol-2-one (8). All diterpene alkaloids underwent assessment for acetylcholinesterase (AChE) inhibition assay and displayed noteworthy AChE activity, surpassing that of the reference drug (with IC50 values of 13.7, 21.8, 23.4, 28.2, 40.4, and 23.9 for compounds 1-6, respectively, in comparison to 98.4 for Rivastigmine). Analysis of Michaelis-Menten and Lineweaver-Burk plots represents an uncompetitive mode of inhibition for compound 1 on AChE. Notably, computational docking simulations indicated that all diterpene alkaloids were accommodated within the same enzymatic cleft as the reference ligand, and displaying superior free binding energy values (from - 10.32 to -8.59 Kcal.mol-1) in contrast to Rivastigmine (-6.31 Kcal.mol-1). CONCLUSION: The phytochemical analysis conducted on the roots of Delphinium cyphoplectrum yielded the identification of eight alkaloidal compounds including one C18-diterpene, five C19-diterpene, one pyrrolidine and one amide alkaloids. AChE inhibition assay and molecular simulations unveiled remarkable significant potency attributed to the C19-diterpene alkaloids by the order of 1 > 2 > 3,6 > 4 > 5. Presence of hydroxyl group on C-1, C-7, C-8, C-14, and C-18 increased the effect. The best in vitro activity was recorded for compound 1 able to bind to Asp72 in the narrow region of PAS, while interacting by pi-sigma with Phe330 at the hydrophobic region of the gorge involving the acyl and choline binding site. This observation underscores the substantial promise of this category of natural products in the realm of drug discovery for Alzheimer's Disease, offering a compelling avenue for further research and therapeutic development.

Mass transfer characteristics during convective, microwave and combined microwave-convective drying of lemon slices.

BACKGROUND: The investigation of drying kinetics and mass transfer phenomena is important for selecting optimum operating conditions, and obtaining a high quality dried product. Two analytical models, conventional solution of the diffusion equation and the Dincer and Dost model, were used to investigate mass transfer characteristics during combined microwave-convective drying of lemon slices. Air temperatures of 50, 55 and 60 °C, and specific microwave powers of 0.97 and 2.04 W g(-1) were the process variables. RESULTS: Kinetics curves for drying indicated one constant rate period followed by one falling rate period in convective and microwave drying methods, and only one falling rate period with the exception of a very short accelerating period at the beginning of microwave-convective treatments. Applying the conventional method, the effective moisture diffusivity varied from 2.4 × 10(-11) to 1.2 × 10(-9) m(2) s(-1). The Biot number, the moisture transfer coefficient, and the moisture diffusivity, respectively in the ranges of 0.2 to 3.0 (indicating simultaneous internal and external mass transfer control), 3.7 × 10(-8) to 4.3 × 10(-6) m s(-1), and 2.2 × 10(-10) to 4.2 × 10(-9) m(2) s(-1) were also determined using the Dincer and Dost model. CONCLUSIONS: The higher degree of prediction accuracy was achieved by using the Dincer and Dost model for all treatments. Therefore, this model could be applied as an effective tool for predicting mass transfer characteristics during the drying of lemon slices.

Experimental and economic evaluation of nitrate removal by a nanofiltration membrane.

Membrane nanofiltration (NF) process was employed to remove nitrate from synthetic and natural waters. The optimum technical and economic ranges of governing parameters for the water treatment process were determined using central composite design method and Verbernen's economic model. The results of nitrate removal from synthesized water showed the minimum and maximum rates of permeation were 16.5 and 84.3 L/m2h (LMH), respectively. The minimum and maximum nitrate rejection were 44.1% and 78.4%, respectively. Increasing pH had no significant effect on permeation flux but increased the nitrate removal rate. Additionally, as pressure was increased, the nitrate rejection and permeation flux both increased; but, as temperature was increased, the permeation flux increased while the nitrate removal decreased. In the case of natural water, the minimum and the maximum flow rate were 7.7 and 68.1 LMH. Furthermore, the minimum and maximum rejection rates of nitrate were 22.1% and 74.8%. The effects of variables on the permeation flux and nitrate removal for natural water were similar to those for synthetic water. However, by increasing pH, the amount of water passing through the membrane decreased. In all experiments, natural water had less permeation flux and less nitrate rejection than synthesized water. The presence of other anions and cations in the natural water decreases the amount of the nitrate removed. The total investment cost reduced as the pressure increased. The cost per m3 of treated water decreased from 3 to 7 bars, then increased as the pressure increased.

Assessment of the relationship between miR-499C/T (rs3746444) polymorphism and lung carcinoma in Iranian population; a case-control study.

Introduction: Lung carcinoma is characterized by uncontrollable division of respiratory system cells with detrimental and lethal consequences on human health. Critical roles of microRNAs (miR) are scientifically approved in biological and pathological pathways, such as the role of miR-499 (rs3746444) in lung carcinomas. Thus, in this case-control investigation, we aimed to assess the probable relationship between miR-499C/T variant and the occurrence of lung carcinoma in Iranian population for the first time. Methods: Genotype of miR-499 polymorphism was described by the Polymerase Chain Reaction-Restriction Fragment Length Polymorphism (PCR-RFLP) assay in patients and healthy individuals. Following definite diagnosis of lung carcinoma, the blood samples were collected, and the DNA extraction was performed by Salting-Out method. Finally, data were analysed by SPSS (v. 20) and the significant level was considered p-value<0.05. Results: Statistically, the frequency of combined genotypes of CC+CT were 83.33% and 35% and TT+CT were 100% and 92% in case and control individuals, respectively. Also, individuals with genotypes of TC (OR: 3.08, CI95%: 3.03-3.17, p<0.0001), TC+CC (OR: 0.10, CI95%: 0.05-0.23, p<0.0001), CC (OR: 0, CI95%: 0.00-0.60, p=0.0214), and TC (OR: 0.07, CI95%: 0.030.15, p<0.0001) represented statistically significant (p<0.05) differences lung carcinoma than those with TT, TT, TT+TC, and TT+CC genotypes, respectively. The frequency of miR-499C (78.5%) and miR-499T (21.5%) alleles were also statistically significantly (p<0.05) difference associated with lung carcinoma in patients than controls. Conclusion: In this study, a possible relationship among miR-499C/T polymorphism and lung carcinoma was detected in Iranian population. Since this study was conducted for the first time, thus other supplementary assessments are needed for definite conclusion.

Comparison of Flavonoid and Flavonoid Glycoside in the Inhibition of the Starch Hydrolyzing Enzymes and AGEs; A Virtual Approaches.

Inhibition of α-amylase, α-glucosidase, and advanced glycation end products (AGEs) is considered a prospective method for the prevention of type II diabetes. As two flavonoids obtained from fruits, swertisin (SW) and apigenin (AP) have similar structures and display various pharmacological properties. To examine the effects of flavonoid structure on inhibition of AGEs adducts and carbohydrate hydrolyzing enzymes activity, molecular docking and molecular dynamic simulations (MDs) were used. The molecular docking method was performed by the Autodock program, and the ligand that showed the most negative binding energy was selected for further investigation. SW showed the potential ability to inhibit the AGEs formation and carbohydrate hydrolyzing enzymes activity. The stability of the receptor/SW complex was evaluated by MDs. Based on the findings of the present study, it was found that SW has the potential to reduce glycation and delay the activity of α-amylase and α-glucosidase enzymes.

Exploring the inhibitory properties of biflavonoids on α-glucosidase; computational and experimental approaches.

Biflavonoids (BFs) are a group of polyphenols that have a unique biochemical structure. One of the key biomedical mechanisms that BFs can have high potential in managing Diabetes mellitus (DM) is α-glucosidase inhibition. Normally, elevated blood glucose levels are caused by high absorption of glucose in the epithelium of the small intestine. Since α-glucosidase helps increase the absorption of glucose in the small intestine in the final stage of glycan catabolism, inhibition of this essential biochemical process in diabetic patients can be considered a suitable approach in the treatment of this disease. The interaction between the BFs and α-glucosidase are still not clear, and need to be deeply investigated. Herein, the aim is to identify BFs with strong α-glucosidase inhibitory activity. Using docking-based virtual screening approach, the potential binding affinity of 18 selected BFs to α-glucosidase was evaluated. The dynamic activity and stability of α-glucosidase-BFs complexes were then measured by molecular dynamics simulation (MDs). "Strychnobiflavone" showed the best score in α-glucosidase inhibition. Arg315 and Phe303 involved in the interactions of α-glucosidase-strychnobiflavone complex through cation-π and π-π stacking, respectively. Based on in vitro kinetic studies, it was determined that the type of inhibition of "strychnobiflavone" corresponds to the pattern of mixed inhibitors. Furthermore, details of the interactions between strychnobiflavone and α-glucosidase were performed by in silico secondary structure content analysis. The findings showed when "strychnobifone" binds to the enzyme, significant alterations occur in the enzyme conformation affecting its catalytic activity. In general, the findings highlighted the potential of "strychnobiflavone" as a promising candidate for the treatment of diabetes mellitus through α-glucosidase inhibition. Further in vitro and in vivo studies have to confirm the therapeutic benefits of "strychnobiflavone" in conformational diseases such as diabetes mellitus.

Novel triazole bridged quinoline-anthracene derivatives: synthesis, characterization, molecular docking, evaluation of electronic and enzyme inhibitory properties.

Two novel quinoline-anthracene conjugates comprising styrylquinoline and anthracene moieties linked by triazole bridges were designed and synthesized in good yields. These molecules were determined for some metabolic enzymes activities. Results indicated that the synthetic molecules exhibited powerful inhibitory actions against all aims as compared to the control molecules. Ki values of novel compound QA-1 for hCA I, hCA II, AChE, and α-glycosidase enzymes were obtained of 20.18 ± 2.46 µM, 14.63 ± 1.14 µM, 71.48 ± 7.76 nM, 401.35 ± 36.84 nM, respectively. Both compounds showed promising candidate complexes for drug development with considerable in vitro different enzymes inhibitory activities. The binding conformations patterns and interaction of QA-1 and QA-2 compounds with α-glucosidase, acetycholinesterase, carbonic anhydrase-I and carbonic anhydrase-II enzymes were investigated through molecular docking profiles. The docking outputs are consistent with the Ki and IC50 values of novel compounds. Three dimensional geometries and electronic properties of the title compounds were obtained by the applicational computational approach at B3LYP/6-31++G(d,p) level of theory.Communicated by Ramaswamy H. Sarma.