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Pregnancy as a sensitive period has a critical effect on the mother and infant's life. It is well understood that dietary habits and mother awareness can improve health status and prevent pregnancy complications such as gestational diabetes, pre-eclampsia, and nausea and vomiting. The current study was conducted to investigate the association between dietary habits and self-care behaviors with pregnancy complications. This cross-sectional study was conducted across 300 pregnant women in their third trimester referred to healthcare centers and Yas hospital in Tehran, Iran. Dietary habits and self-care behaviors were assessed by valid and reliable questionnaires. Dietary intake and physical activity were evaluated using valid and reliable Food Frequency Questionnaires and Pregnancy Physical Activity questionnaires, respectively. Women with self-care behaviors had a lower rate of pre-eclampsia (P = 0.9). Regarding food habits, pregnant women who ate their meals faster had a non-significantly higher rate of gestational diabetes and pre-eclampsia. Pregnant women who consumed red meat on a daily frequency had a significantly higher rate of nausea and vomiting (OR 1.85; 95% CI 1.05–3.28, P = 0.03). Also, there was a significant positive association between the mother's pre-pregnancy BMI and gestational diabetes and pre-eclampsia [(OR 2.03; 95% CI 1.03–3.98, P = 0.03) and (OR 4.23; 95% CI 1.12–16.0, P = 0.03) respectively]. There was no significant association between pregnant women's dietary habits and GDM and pre-eclampsia. However, pregnant women with pre-pregnancy overweight and obesity had increased odds of gestational diabetes and pre-eclampsia significantly. [ABSTRACT FROM AUTHOR]

As an exploratory data aَnalysis (EDA) process, spectral clustering (SC) reduces complex, multidimensional data sets to similar ones in rarer dimensions. Given the big challenges of high computational complexity and lack of accurate mapping in multidimensional data sets, it is essential to provide innovative solutions for SC. Against this background, the present study aims to propose a novel method based on extended Deep learning (DL), recruiting autoencoder (AE) ensembles. Here, the eagle strategy (ES) is further applied, rather than the anchor-based and landmark ones, to eliminate some complexities in SC and fill gaps in data training. As SC has a stochastic optimization structure, the ES may seem appropriate. The Fundamental Clustering and Projection Suite (FCPS) data set correspondingly represents that the proposed method has been able to surpass previous robust algorithms in terms of mean squared error (MSE), accuracy, adjusted random index (ARI), and normalized mutual information (NMI). [ABSTRACT FROM AUTHOR]

Cisplatin is an anticancer drug that can be used to treat a variety of solid tumors, where clinical use may be affected by several factors, including dose-limiting side effects and the emergence of drug resistance. Micellar-forming polymeric conjugates are a type of polymeric nanocarrier that can preferentially accumulate in tumors, thereby increasing therapeutic efficacy. In the current study, carboxylated PiPOx was synthesized first using a click reaction of 2-isopropenyl 2-oxazoline (iPOx) with thioglycolic acid (TGA) or methyl thioglycolate, followed by methyl triflate-initiated cationic ring opening polymerization (CROP). Next, different strategies were employed to prepare carboxylated PiPOx-mPEG copolymers: (a) CROP was initiated by iPOx-modified mPEG-thiol, (b) TGA-modified PiPOx were end-capped with mPEG-NH2, or (c) TGA-modified iPOx and iPOx-modified mPEG-thiol were randomly copolymerized. 1H-NMR, FT-IR, SEC, and potentiometric titration methods were used to characterize the synthesized polymers. Cisplatin-polymer conjugation was performed at three ratios of drug-to-polymer carboxyl groups (0.25, 0.5, and 1), and the conjugated cisplatin content was determined using UV–vis spectroscopy at 705 nm with O-phenylenediamine reagent. The cisplatin loading efficiencies (%) were 59.3, 26.7, and 91.0 for the respective copolymers at the chosen cisplatin/carboxyl 1:1 mol ratio. Cisplatin-conjugated PiPOx(TGA)-b-mPEG and mPEG-g-PiPOx(TGA) had mean hydrodynamic sizes of 113.3 and 178.8 nm, respectively. TEM imaging confirmed the formation of discrete and spherical particles of the cisplatin-conjugated copolymer. The MTT cytotoxicity assay demonstrated higher cytotoxicity of PiPOx(TGA)-b-mPEG compared to PiPOx(TGA)-g-mPEG polymers in both sensitive and resistant ovarian cancer cells. The IC50 values were approximately 113 µg/ml for PiPOx(TGA)-b-mPEG and 232 µg/ml for PiPOx(TGA)-g-mPEG in resistant tumor cells, confirming the potential application of cisplatin-conjugated copolymers in cancer chemotherapy. [ABSTRACT FROM AUTHOR]

The design and synthesis of novel cytotoxic agents is still an interesting topic for medicinal chemistry researchers due to the unwanted side effects of anticancer drugs. In this study, a novel series of uracil–azole hybrids were designed and synthesized. The cytotoxic activity, along with computational studies: molecular docking, molecular dynamic simulation, density functional theory, and ADME properties were also, evaluated. The compounds were synthesized by using 3-methyl-6-chlorouracil as the starting material. Cytotoxicity was determined using MTT assay in the breast carcinoma cell line (MCF-7) and Hepatocellular carcinoma cell line (HEPG-2). These derivatives demonstrated powerful inhibitory activity against breast and hepatocellular carcinoma cell lines in comparison to Cisplatin as positive control. Among these compounds, 4j displayed the best selectivity profile and good activity with IC50 values of 16.18 ± 1.02 and 7.56 ± 5.28 µM against MCF-7 and HEPG-2 cell lines respectively. Structure–activity relationships revealed that the variation in the cytotoxic potency of the synthesized compounds was affected by various substitutions of benzyl moiety. The docking output showed that 4j bind well in the active site of EGFR and formed a stable complex with the EGFR protein. DFT was used to investigate the reactivity descriptors of 4a and 4j. The outputs demonstrated that these uracil–azole hybrids can be considered as potential cytotoxic agents. [ABSTRACT FROM AUTHOR]

Introduction: Successful frozen-thawed embryo transfer (FTET) depends on multiple factors among which the woman's vaginal microbiota has recently been considered important. Using probiotic products, such as Lactovag in infertile women, the vaginal microbiome can become close to the healthy status. Objectives: The aim of this study was to evaluate the effect of Lactovag on normalizing vaginal microbiome, as well as its role in improving pregnancy outcomes in FTET cycles. Patients and methods: This randomized blinded clinical trial was conducted on 103 patients undergoing Assisted Reproductive Technology (ART) treatment at a tertiary university-based hospital between January and August of 2019. In the experiment group, the vaginal suppository Lactavag was prescribed, whereas in the control group, patients did not receive any microbiome supplements. Then, the pregnancy rate was compared in the two groups. Results: There were no significant differences in baseline characteristics between the two study groups (p > 0.05). Positive B hCG was present in 28% (n = 26) of women, clinical pregnancy was achieved in 23.4% (n = 22) of them and fetal heart rate was detected in 21.3% (n = 20). These proportions were higher in the Lactovag group, although these differences were not significant (p > 0.05). Results showed that although transferring fetuses with grade A increased the odds of pregnancy with 1.53 (p = 0.001) folds, this ratio would be improved using Lactovag;1.68 (P value = 0.008). Conclusions: It seems that the vaginal microbiota critically interplays with women's health and reproduction. A probiotic agent such as Lactovag can be useful in normalizing this environment and improving pregnancy outcomes in infertile women. [ABSTRACT FROM AUTHOR]

Leukodystrophies (LDs) are a heterogeneous group of progressive neurological disorders and characterized by primary involvement of white matter of the central nervous system (CNS). This is the first report of the Iranian LD Registry database to describe the clinical, radiological, and genomic data of Persian patients with leukodystrophies. From 2016 to 2019, patients suspicious of LDs were examined followed by a brain magnetic resonance imaging (MRI). A single gene testing or whole-exome sequencing (WES) was used depending on the neuroradiologic phenotypes. In a few cases, the diagnosis was made by metabolic studies. Based on the MRI pattern, diagnosed patients were divided into cohorts A (hypomyelinating LDs) versus cohort B (Other LDs). The most recent LD classification was utilized for classification of diagnosed patients. For novel variants, in silico analyses were performed to verify their pathogenicity. Out of 680 registered patients, 342 completed the diagnostic evaluations. In total, 245 patients met a diagnosis which in turn 24.5% were categorized in cohort A and the remaining in cohort B. Genetic tests revealed causal variants in 228 patients consisting of 213 variants in 110 genes with 78 novel variants. WES and single gene testing identified a causal variant in 65.5% and 34.5% cases, respectively. The total diagnostic rate of WES was 60.7%. Lysosomal disorders (27.3%; GM2-gangliosidosis-9.8%, MLD-6.1%, KD-4.5%), amino and organic acid disorders (17.15%; Canavan disease-4.5%, L-2-HGA-3.6%), mitochondrial leukodystrophies (12.6%), ion and water homeostasis disorders (7.3%; MLC-4.5%), peroxisomal disorders (6.5%; X-ALD-3.6%), and myelin protein disorders (3.6%; PMLD-3.6%) were the most commonly diagnosed disorders. Thirty-seven percent of cases had a pathogenic variant in nine genes (ARSA, HEXA, ASPA, MLC1, GALC, GJC2, ABCD1, L2HGDH, GCDH). This study highlights the most common types as well as the genetic heterogeneity of LDs in Iranian children. [ABSTRACT FROM AUTHOR]

Autosomal recessive spastic ataxia of Charlevoix Saguenay (ARSACS) is now increasingly identified from all countries over the world, possibly rendering it one of the most common autosomal recessive ataxias. Here, we selected patients harboring SACS variants, the causative gene for ARSACS, in a large cohort of 137 patients with early-onset ataxia recruited from May 2019 to May 2021 and were referred to the ataxia clinic. Genetic studies were performed for 111 out of 137 patients (81%) which led to a diagnostic rate of 72.9% (81 out of 111 cases). Ten patients with the molecular diagnosis of ARSACS were identified. We investigated the phenotypic and imaging spectra of all confirmed patients with ARSACS. We also estimated the frequency of ARSACS in this cohort and described their clinical and genetic findings including seven novel variants as well as novel neuroimaging findings. While the classic clinical triad of ARSACS is progressive cerebellar ataxia, spasticity, and sensorimotor polyneuropathy, it is not a constant feature in all patients. Sensorimotor axonal-demyelinating neuropathy was detected in all of our patients, but spasticity and extensor plantar reflex were absent in 50% (5/10). In all patients, brain magnetic resonance imaging (MRI) showed symmetric linear hypointensities in the pons (pontine stripes) and anterior superior cerebellar atrophy as well as a hyperintense rim around the thalami (thalamic rim). Although infratentorial arachnoid cyst has been reported in ARSACS earlier, we report anterior temporal arachnoid cyst in two patients for the first time, indicating that arachnoid cyst may be an associated imaging feature of ARSACS. We also extended molecular spectrum of ARSACS by presenting 8 pathogenic and one variant of unknown significance (VUS) sequence variants, which 7 of them have not been reported previously. MetaDome server confirmed that the identified VUS variant was in the intolerant regions of sacsin protein encoded by SACS. [ABSTRACT FROM AUTHOR]

The spread of social networking sites (SNSs) has led to the development of news and its spread. In terms of momentum produced content and topics, the gathered data from online services like twitter, are from a wide range of areas. Finding an abnormality pattern as well as content oriented planning in society, is the reason why event analysis can be of great importance. Event, in social networking sites is an interesting happening in real world which causes discussion on the topic about related issues by the users of SNSs like twitter, and it is released immediately after the discussion or with a delay. Event, changes the amount of textual data, in a way that it presents related topics in a specific time period. This event is identified by time and topic, and is related with entities like people and places. The computations related to event detection in real time is a big problem in this context. A model based on deep learning is presented in this paper. Firstly, according to the labeled data, classes are formed through classification. Later, in a flow manner, unlabeled data are presented to the model. The unlabeled data are divided into the present classes according to the model which they have been trained. If the data are higher than an identified threshold, they are assigned to a new class, and when the data are lower than the threshold, they are categorized as temporary event. Innovation of the proposed method is in two issues. First, the data in this model are semi-supervised; therefore, the labeled data are used in the first phase and the rest of the data are used in the second phase. In HAN classification phase, a module titled bag of sentence was produced for exact classification of sentences, and in the second phase the abstract concept of Virtual backbone was used to enhance precision of multi label clustering. Adding these two sections using the proposed method enhanced the precision of classification and purification of the data in unlabeled data. [ABSTRACT FROM AUTHOR]

The global spread of the coronavirus has generated one of the most critical circumstances forcing healthcare systems to deal with it everywhere in the world. The complexity of crisis management, particularly in Iran, the unfamiliarity of the disease, and a lack of expertise, provided the foundation for researchers and implementers to propose innovative solutions. One of the most important obstacles in COVID-19 crisis management is the lack of information and the need for immediate and real-time data on the situation and appropriate solutions. Such complex problems fall into the category of semi-structured problems. In this respect, decision support systems use people's mental resources with computer capabilities to improve the quality of decisions. In synergetic situations, for instance, healthcare domains cooperating with spatial solutions, coming to a decision needs logical reasoning and high-level analysis. Therefore, it is necessary to add rich semantics to different classes of involved data, find their relationships, and conceptualize the knowledge domain. For the COVID-19 case in this study, ontologies allow for querying over such established relationships to find related medical solutions based on description logic. Bringing such capabilities to a spatial decision support system (SDSS) can help with better control of the COVID-19 pandemic. Ontology-based SDSS solution has been developed in this study due to the complexity of information related to coronavirus and its geospatial aspect in the city of Tehran. According to the results, ontology can rationalize different classes and properties about the user's clinical information, various medical centers, and users' priority. Then, based on the user's requests in a web-based SDSS, the system focuses on the inference made, advises the users on choosing the most related medical center, and navigates the user on a map. The ontology's capacity for reasoning, overcoming knowledge gaps, and combining geographic and descriptive criteria to choose a medical center all contributed to promising outcomes and the satisfaction of the sample community of evaluators. [ABSTRACT FROM AUTHOR]

Toxoplasma gondii (T. gondii) is one of the most successful parasites in the world, because about a third of the world's population is seropositive for toxoplasmosis. Treatment regimens for toxoplasmosis have remained unchanged for the past 20 years, and no new drugs have been introduced to the market recently. This study, performed molecular docking to identify interactions of FDA-approved drugs with essential residues in the active site of proteins of T. gondii Dihydrofolate Reductase (TgDHFR), Prolyl-tRNA Synthetase (TgPRS), and Calcium-Dependent Protein Kinase 1 (TgCDPK1). Each protein was docked with 2100 FDA-approved drugs using AutoDock Vina. Also, the Pharmit software was used to generate pharmacophore models based on the TgDHFR complexed with TRC-2533, TgPRS in complex with halofuginone, and TgCDPK1 in complex with a bumped kinase inhibitor, RM-1–132. Molecular dynamics (MD) simulation was also performed for 100 ns to verify the stability of interaction in drug–protein complexes. Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) analysis evaluated the binding energy of selected complexes. Ezetimibe, Raloxifene, Sulfasalazine, Triamterene, and Zafirlukast drugs against the TgDHFR protein, Cromolyn, Cefexim, and Lactulose drugs against the TgPRS protein, and Pentaprazole, Betamethasone, and Bromocriptine drugs against TgCDPK1 protein showed the best results. These drugs had the lowest energy-based docking scores and also stable interactions based on MD analyses with TgDHFR, TgPRS, and TgCDPK1 drug targets that can be introduced as possible drugs for laboratory investigations to treat T. gondii parasite infection. [ABSTRACT FROM AUTHOR]

Herein, we reported the synthesis of nineteen novel 1,2,4-triazole derivatives including 1,3-diphenyl-2-(1H-1,2,4-triazol-1-yl) propan-1-ones (7a-e), 1-(1,3-diphenylpropan-2-yl)-1H-1,2,4-triazole (8a-c) and 1,4-diphenyl-2-(1H-1,2,4-triazol-1-yl) butane-1,4-diones (10a-k). The structures of these derivatives were confirmed by spectroscopic techniques like IR, 1H-NMR, Mass spectroscopy and Elemental analysis. The cytotoxic activities of the synthesized compounds were evaluated against three human cancer cell lines including MCF-7, Hela and A549 using MTT assay. Compounds 7d, 7e, 10a and 10d showed a promising cytotoxic activity lower than 12 μM against Hela cell line. The safety of these compounds was also, evaluated on MRC-5 as a normal cell line and relieved that most of the synthesized compounds have proper selectivity against normal and cytotoxic cancerous cell lines. Finally, molecular docking studies were also, done to understand the mechanism and binding modes of these derivatives in the binding pocket of aromatase enzyme as a possible target. [ABSTRACT FROM AUTHOR]

A novel series of diphenylquinoxaline-6-carbohydrazide hybrids 7a–o were rationally designed and synthesized as anti-diabetic agents. All synthesized compounds 7a–o were screened as possible α-glucosidase inhibitors and exhibited good inhibitory activity with IC50 values in the range of 110.6 ± 6.0 to 453.0 ± 4.7 µM in comparison with acarbose as the positive control (750.0 ± 10.5 µM). An exception in this trend came back to a compound 7k with IC50 value > 750 µM. Furthermore, the most potent derivative 7e bearing 3-fluorophenyl moiety was further explored by kinetic studies and showed the competitive type of inhibition. Additionally, the molecular docking of all derivatives was performed to get an insight into the binding mode of these derivatives within the active site of the enzyme. In silico assessments exhibited that 7e was well occupied in the binding pocket of the enzyme through favorable interactions with residues, correlating to the experimental results. [ABSTRACT FROM AUTHOR]

Reduced graphene oxide (rGO) and Mg/rGO nanocomposites (NCs) were prepared by an eco-friendly technique using Rosa canina fruit extract. Physicochemical properties and cytotoxicity to Mentha longifolia in vitro cultures of these nanomaterials were examined by using XRD, FESEM, EDX, FT-IR, DLS/zeta potential, UV–Visible, and GC–MS techniques. The characterization techniques confirmed the synthesis of rGO and Mg/rGO NCs with particle sizes less than 20 nm (based on FESEM). In accordance to the biological measurements, rGO showed in vitro cytotoxicity to M. longifolia shoot cultures. Mg/rGO NCs showed no significant difference in the growth parameters except for a decrease in the shoot number at the concentrations of 50 and 150 mg/L and a decrease in the length of the tallest root at the concentrations of 100 and 150 mg/L, however efficiently improved the photosynthetic pigment contents. The phytochemical assay depicted that the total content of volatile compounds was increased in the treated cultures with 25, 50, and 100 mg/L of rGO and Mg/rGO NCs in comparison to the control. Generally, the more oxygenated and hydrocarbon sesquiterpenes were observed in the cultures treated with 25 and 100 mg/L of rGO and 25 and 50 mg/L of Mg/rGO NCs. [ABSTRACT FROM AUTHOR]

A series of 2-aryl/alkyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines (S1–S11) were synthesized with an eco-friendly and recoverable nanocatalyst (GO-Fe3O4–Ti(IV)) as an efficient magnetic composite. The new nanocatalyst was characterized by FT-IR, XRD and, EDS analysis. A conformable procedure, easy to work up and having a short reaction time with high yields are some advantages of this method. The new catalyst is also thermal-stable, reusable and, environment-friendly. The chemical structures of the synthesized 1,3-oxazine compounds were confirmed by comparing their melting points with those reported in literature. Then, the anticonvulsant activity of these compounds was assessed by the intraperitoneal pentylenetetrazole test (ipPTZ). Compounds S10 and S11 displayed considerable activity against chemically-induced seizure tests. The molecular simulation was also done to achieve their binding affinities as γ‐aminobutyric acid A (GABA‐A) receptor agonists as an assumptive mechanism of their anticonvulsant action. The result of molecular studies represented strongly matched with biological activity. Molecular docking simulation of the potent compound (S10) and diazepam as the positive control was performed and some critical residues like Thr262, Asn265, Met286, Phe289, and Val290 were identified. Based on the anticonvulsant results and also in silico ADME predictions, S11 can be to become a potential drug candidate as an anticonvulsant agent. [ABSTRACT FROM AUTHOR]

Introduction: Coenzyme Q10 deficiency can be due to mutations in Coenzyme Q10-biosynthesis genes (primary) or genes unrelated to biosynthesis (secondary). Primary Coenzyme Q10 deficiency-4 (COQ10D4), also known as autosomal recessive spinocerebellar ataxia-9 (SCAR9), is an autosomal recessive disorder caused by mutations in the ADCK3 gene. This disorder is characterized by several clinical manifestations such as severe infantile multisystemic illness, encephalomyopathy, isolated myopathy, cerebellar ataxia, or nephrotic syndrome. Methods: In this study, whole-exome sequencing was performed in order to identify disease-causing variants in an affected girl with developmental regression and Epilepsia Partialis Continua (EPC). Next, Sanger sequencing method was used to confirm the identified variant in the patient and segregation analysis in her parents. Case Presentation: The proband is an affected 11-year-old girl with persistent seizures, EPC, and developmental regression including motor, cognition, and speech. Seizures were not controlled with various anticonvulsant drugs despite adequate dosing. Progressive cerebellar atrophy, stroke-like cortical involvement, multifocal hyperintense bright objects, and restriction in diffusion-weighted imaging (DWI) were seen in the brain magnetic resonance imaging (MRI). Conclusions: A novel homozygous missense variant [NM_020247.5: c.814G>T; (p.Gly272Cys)] was identified within the ADCK3 gene, which is the first mutation in this gene in the Iranian population. Bioinformatics analysis showed this variant is damaging. Based on our patient, clinicians should consider genetic testing earlier to instant diagnosis and satisfactory treatment based on exact etiology to prevent further neurologic sequelae. [ABSTRACT FROM AUTHOR]

The present study aims to investigate the changes in different parameters related to the storage time of red blood cell (RBC) units. Microscopic, flow cytometric, and electrophoretic assessments were employed every few days for 60 days to investigate the alterations in morphology, size, phosphatidylserine (PS) externalization, and membrane proteins over time. Morphological transformation from discocytes to spherocytes progressed as the storage time increased, which was accompanied by an increment of cellular size. However, this storage period did not result in the externalization of significant amounts of PS (p > 0.05). Mean Fluorescence Intensity (MFI) values increased by 11% to 23% between days 21 and 35 compared to the day 1 sample (p < 0.001). By day 60, the MFI decreased to about 70% of the day 1 sample. The analysis of membrane proteins' distribution showed a significant drop in band 3 expression after 35 days (p < 0.05 and 0.001 on days 42 and 60, respectively); however, no significant change was observed up to five weeks (p > 0.05). The inconsistency observed between Eosin-5-Maleimide (5-EMA) binding and the relative band 3 content could be due to additional accessibility of 5-EMA to hidden domains of other membrane proteins on RBCs as a result of increased mean corpuscular volume (MCV) and changes in morphology. Overall, our present study represents a step-wise and time-dependent series of events that progressively affects stored RBCs. [ABSTRACT FROM AUTHOR]

B Correction to: Neurogenetics b https://doi.org/10.1007/s10048-023-00730-y The published online version of the original article contains a mistake. The authors would like to correct the affiliation of Dr. Nejat Mahdieh as linked above. SP 26 sp Cardiogenetic Research Center, Rajaie Cardiovascular Medical and Research Center, Iran University of Medical Sciences, Tehran, Iran SP 31 sp Growth and Development Research Center, Tehran University of Medical Sciences, Tehran, Iran. [Extracted from the article]

Background: Artemisia splendens from the Asteraceae family is a new source of biologically active compounds. The current study investigated to evaluate antimicrobial and cytotoxicity activity of methanolic extracts and their fractions obtained from aerial parts by agar disk diffusion and MTT methods, respectively. The active fractions were subjected to preparative HPLC for isolating the pure compounds, which were structurally elucidated, by 1H and 13C NMR. Results: The results showed that the methanolic extract and its 60% SPE fraction have the anti-proliferative activity on A549 cell line in comparison with the control group. Meanwhile, the methanolic extract and its 40% SPE fraction can inhibit the growth of Gram-positive strains as anti-microbial activity. The 60% SPE fraction also illustrated anti-proliferative activity on the HT-29 cell line compared to the control group. Chromatographic separations via preparative HPLC yielded 5 flavonoids and three flavonoid glycosides. Conclusion: Based on the results it can be concluded that A. splendens as a potential source of cytotoxic and antimicrobial compounds can be used in pharmaceutics. [ABSTRACT FROM AUTHOR]

Leishmania infantum is the most common cause of visceral leishmaniasis (VL) in Iran, where mainly the patients are children under the age of 5 years. Timely, less invasive, and accurate diagnosis and proper treatment of the disease are necessary. This retrospective study aimed to search for a less invasive but robust algorithm on VL diagnostic tests in children. Four hundred and fifteen patients with clinical suspicion of VL, 50 healthy children from VL endemic areas, 46 healthy individuals from non-endemic VL areas, and 47 non-VL diseases were tested using three diagnostic tests: indirect immunofluorescent antibody test (IFAT), rK39-rapid diagnostic test (rK39-RDT), and quantitative PCR (qPCR). One hundred and two suspected VL cases were positive in at least one test and were cured after receiving appropriate treatment. Of these 102 VL patients, 94 were positive in qPCR, 84 in IFAT, and 79 in rK39-RDT. None of the tests detected all the patients, but overall, qPCR is capable of detecting more VL patients than serological tests, i.e., 92.2%, compared to IFAT, 82.4%, and rK39, 77.5%. There was only a significant difference between the sensitivity of qPCR and rK39-RDT (p = 0.024). The specificity was 100% for qPCR and IFAT (≥128) and 98.6% for rK39-RDT. qPCR alone is capable of detecting most of the VL-suspected children. Serological tests like IFAT and rk39-RDT are recommended to increase the overall sensitivity of detection in patients with a negative molecular test. Combining qPCR with a serological test (IFAT or rK39-RDT) can help diagnose 98% of VL. In laboratories without molecular facilities, we recommend testing with the combination of rK39-RDT and IFAT yielding a combined sensitivity of 93.1% equivalent to that of qPCR in our study. [ABSTRACT FROM AUTHOR]

Because of the critical role of vascular endothelial growth factor (VEGF) in angiogenesis and its significantly increased serum levels in early stages of cancer, VEGF is considered an important prognostic biomarker in different cancers. Herein, the amplification power of PCR combined with phage displaying anti-VEGF VHH, a sensitive real-time immunoassay, was precisely designed based on phage display-mediated immuno-PCR (PD-IPCR) for the detection of VEGF. This system benefits from strong and specific binding of antigen and antibody in a sandwich immunosorbent assay platform using avastin (anti-VEGF monoclonal antibody) as the capture antibody. The anti-VEGF phage particles were used as both anti-VEGF agent and DNA template in the PD-IPCR. Anti-VEGF phage ELISA showed a linear range of 3–250 ng/ml and a limit of detection (LOD) of 1.1 ng/ml. Using the PD-IPCR method, the linear range of VEGF detection was found to be 0.06–700 ng/ml, with a detection limit of 3 pg/ml. The recovery rate in serum ranged from 83% to 99%, with a relative standard deviation of 1.2–4.9%. These values indicate that the method has good sensitivity for use in clinical analysis. The proposed method was successfully applied to the clinical determination of VEGF in human serum samples, and the results showed excellent correlation with conventional ELISA (R2 = 0.995). The novel immunoassay provides a specific and sensitive immunoassay protocol for VEGF detection at very low levels. [ABSTRACT FROM AUTHOR]

The relationship between drug and its side effects has been delineated in two websites, namely Sider and WebMD. The aim of the present paper is to find the relationship between drug and its side effects as reported by typical users of a website called Ask a patient, and to compare these reports with the side effects in reference sites. In addition, the typical users' comments on highly-commented drugs (neurotic drugs, anti-pregnancy drugs and digestion drugs) within last decade were analyzed. The reason for such investigation is the fact that typical users' comments and their tendencies can be considered as an important factor in determining the best drugs in improving them or decreasing their risk dangerous. Typical users' comments on drugs' side effects were gathered from the website Ask a patient. Then, the data on drugs (neurotic drugs, anti-pregnancy drugs and digestion drugs) were classified according to deep learning model. At first using the model, the three issues, namely drug, its side effect and the cause of the side effect, were explained. Afterward, using topic modeling, the main topics of side effects for each group of drugs were identified. Finally, using the websites of Sider and WebMD in which the side effects of drugs are reported, the side effects of the three classes of drugs were retrieved. The goal of the present research was to analyze typical users' comments reported on the website called Ask a patient, and to compare these comments with the reports about the side effects of drugs from important sites. Our model demonstrates its ability to accurately describe and label side effects in a temporal text corpus. By taking full advantage of deep learning classifiers, the used methods in text mining is shown to be accurate and effective for discovering association between drugs and side effects. Moreover, through combining with modular classifier in addition to topic modeling, this model has the capability to immediately locate information in reference sites to recognize the side effect of new drugs. In fact, due to the unbiased nature of typical users' comments, these comments can be a reliable indicator for drug producer companies to reduce the side effects of drugs. [ABSTRACT FROM AUTHOR]

Post-mortem studies demonstrate that around two thirds of all myocardial infarctions are typically result of the plaque rupture. In this paper, systematic mapping study is applied to specify the vulnerable plaque research area. The scope of this research has been limited to the published papers of IEEE Transactions, Sciencedirect, and Springer between 2000 and 2016 years. The related studies are categorized into research question, research strategy, research challenge, and research framework. Based on the mapping results, the researchers are focused on the clinical analysis and algorithmic approach. This paper describes a review of state-of-the-art literature on TCFA detection techniques, motivations, issues, and existing challenges in terms of imaging modalities, plaque characterization techniques, and plaque type classification. A summary of each study containing the author names, publication year, technique, advantages, and drawbacks is presented at the end of each subsection. [ABSTRACT FROM AUTHOR]

We designed and synthesized a series of new ciprofloxacin-dithiocarbamate-benzyl hybrids 5a-n as potential antibacterial agents. All of the synthesized compounds were screened for in vitro antibacterial activity against four bacterial strains (Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, and Pseudomonas aeruginosa). The antibacterial results indicated that some of the synthesized compounds showed remarkable activity, comparable to their parent drug ciprofloxacin. Among the synthesized compounds, the 4-nitro derivative 5n, exhibited the most antibacterial activity against S. aureus, S. epidermidis, and E. coli. The antibacterial activity of this compound against S. aureus and E. coli was twofold higher than that of its parent ciprofloxacin. Molecular modeling of compound 5n was also investigated in the active site of E. coli DNA gyrase. [ABSTRACT FROM AUTHOR]

An efficient synthetic route for the synthesis of novel oxoisoindoline derivatives was described through Ugi reaction of 2-formylbenzoic acids, amines, and isocyanides. All compounds were evaluated for their acetylcholinesterase inhibitory activity and among them, 2 of 12 tested compounds showed good activity as compared to other derivatives. Graphical Abstract: [Figure not available: see fulltext.]. [ABSTRACT FROM AUTHOR]

Objective: To determine usage of polytetrafluoroethylene, Gore-Tex, as a stent in patients with congenital cervicovaginal agenesis. Design: Follow-up study. Setting: Tertiary center referral hospital. Patients: Eight patients with Mullerian agenesis who had congenital cervical agenesis, associated with partial or complete vaginal aplasia. Interventions: Laparoscopic uterovaginal anastomosis with placement of a polytetrafluoroethylene stent for reconstruction of cervical agenesis. In cases associated with vaginal agenesis, modified McIndoe vaginoplasty was done concomitantly. Measurements and main results: Eight patients with cervical agenesis who had partial and complete vaginal aplasia underwent vaginoplasty. Mean (SD) follow-up after surgery (3 years old). All patients except three of them, (62.5 %) experienced relief of abdominal pain and regular menstruation. Due to ascending infection three of them (37.5 %) needed reoperation. So, they underwent laparotomy. Two of these three patients had total abdominal hysterectomy and one case tolerated resection of right obstructed side of didelphys uterus, then she became pregnant spontaneously. Four out of these eight cases were married and the others were single. One out of our married patients conceived three times. Her first pregnancy was aborted. She delivered two alive babies after inserting transabdominal Shirodkar suture in her other pregnancies. Conclusion: Uterovaginal anastomosis assisted laparoscopy with polytetrafluoroethylene (Gore-Tex) is effective and hopeful to relieve patients' symptoms, menstruation regularity, and saving fertility. If ascending infection threatening health happens, hysterectomy will be recommended. [ABSTRACT FROM AUTHOR]

UMP2 calculations with aug-cc-pVDZ basis set were used to analyze intermolecular interactions in RC···HY···LiY and RC···LiY···HY triads (R=H, CH; Y=CN, NC), which are connected via lithium and hydrogen bonds. To better understand the properties of these systems, the corresponding dyads were also studied. Molecular geometries and binding energies of dyads, and triads were investigated at the UMP2/aug-cc-pVDZ computational level. Particular attention was paid to parameters such as cooperative energies, and many-body interaction energies. All studied complexes, with the simultaneous presence of a lithium bond and a hydrogen bond, showed cooperativity with energy values ranging between −1.71 and −9.03 kJ mol. The electronic properties of the complexes were analyzed using parameters derived from atoms in molecules (AIM) methodology. Energy decomposition analysis revealed that the electrostatic interactions are the major source of the attraction in the title complexes. [ABSTRACT FROM AUTHOR]

In this article, we shall obtain the boundary state associated with a moving D p-brane in the presence of the Kalb-Ramond field B, an internal U(1) gauge field A and a tachyon field, in the compact spacetime. According to this state, properties of the brane and a closed string, with mixed boundary conditions emitted from it, will be obtained. Using this boundary state, we calculate the interaction amplitude of two moving D p and D p-branes with above background fields in a partially compact spacetime. They are parallel or perpendicular to each other. Properties of the interaction amplitude will be analyzed, and contribution of the massless states to the interaction will be extracted. [ABSTRACT FROM AUTHOR]

In order to show antiproliferation and cancerous cell growth inhibition of quinazoline derivatives, a series of 2-(chloromethyl)-3-phenylquinazolin-4(3H)-ones (H1–H11) were synthesized. In vitro cytotoxic activities were evaluated against three human cancer cell lines: A549, MCF-7 and SW1116 using colorimetric MTT assay. Comparing their effects together and with cisplatin as a positive control indicated that H3, H5 and H6 exhibited better antitumor activities on A549 cell line with IC50 values less than 10 μM versus 12 μM for cisplatin. In the case of MCF-7 and SW1116 cell lines, almost all compounds displayed better cytotoxic activities than cisplatin. Molecular docking studies were applied on epidermal growth factor receptor (EGFR) as the main target of quinazoline scaffolds in cancer therapy to predict the binding energies, binding modes and orientation of these ligands toward the active site of the receptor. In silico physicochemical parameters and ADMET profiling calculations also were done. All compounds showed lower binding energies than erlotinib, the inhibitor of EGFR. Taken together, our findings showed potential anticancer effect of quinazoline compounds bearing various phenyl ring substitutions. [ABSTRACT FROM AUTHOR]

A series of 2-aryl/alkyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines (S 1 -S 11 ) were synthesized with an eco-friendly and recoverable nanocatalyst (GO-Fe 3 O 4 -Ti (IV) ) as an efficient magnetic composite. The new nanocatalyst was characterized by FT-IR, XRD and, EDS analysis. A conformable procedure, easy to work up and having a short reaction time with high yields are some advantages of this method. The new catalyst is also thermal-stable, reusable and, environment-friendly. The chemical structures of the synthesized 1,3-oxazine compounds were confirmed by comparing their melting points with those reported in literature. Then, the anticonvulsant activity of these compounds was assessed by the intraperitoneal pentylenetetrazole test (ipPTZ). Compounds S 10 and S 11 displayed considerable activity against chemically-induced seizure tests. The molecular simulation was also done to achieve their binding affinities as γ-aminobutyric acid A (GABA-A) receptor agonists as an assumptive mechanism of their anticonvulsant action. The result of molecular studies represented strongly matched with biological activity. Molecular docking simulation of the potent compound (S 10 ) and diazepam as the positive control was performed and some critical residues like Thr262, Asn265, Met286, Phe289, and Val290 were identified. Based on the anticonvulsant results and also in silico ADME predictions, S 11 can be to become a potential drug candidate as an anticonvulsant agent., (© 2022. The Author(s).)