Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide

The title molecular salts, C10H15N2+·C6H6ClN2O2−, (I), and C10H15N2+·C7H8ClN2O2−, (II), consist of 4-phenylpiperazin-1-ium cations with a 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide anion in (I) and a 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide anion in (II). Salt (I) crystallizes with two independent cations and anions in the asymmetric unit. In the crystal structures of both salts, the ions are linked via N—H...O and N—H...N hydrogen bonds, forming sheets which are parallel to (100) in (I) and to (001) in (II). In (I), the sheets are linked via C—H...Cl hydrogen bonds, forming a three-dimensional framework

Coronary Plaque Morphology and the Anti-Inflammatory Impact of Atorvastatin: A Multicenter 18F-Fluorodeoxyglucose Positron Emission Tomographic/Computed Tomographic Study.

BACKGROUND: Nonobstructive coronary plaques manifesting high-risk morphology (HRM) associate with an increased risk of adverse clinical cardiovascular events. We sought to test the hypothesis that statins have a greater anti-inflammatory effect within coronary plaques containing HRM. METHODS AND RESULTS: In this prospective multicenter study, 55 subjects with or at high risk for atherosclerosis underwent 18F-fluorodeoxyglucose positron emission tomographic/computed tomographic imaging at baseline and after 12 weeks of treatment with atorvastatin. Coronary arterial inflammation (18F-fluorodeoxyglucose uptake, expressed as target-to-background ratio) was assessed in the left main coronary artery (LMCA). While blinded to the PET findings, contrast-enhanced computed tomographic angiography was performed to characterize the presence of HRM (defined as noncalcified or partially calcified plaques) in the LMCA. Arterial inflammation (target-to-background ratio) was higher in LMCA segments with HRM than those without HRM (mean+/-SEM: 1.95+/-0.43 versus 1.67+/-0.32 for LMCA with versus without HRM, respectively; P=0.04). Moreover, atorvastatin treatment for 12 weeks reduced target-to-background ratio more in LMCA segments with HRM than those without HRM (12 week-baseline Deltatarget-to-background ratio [95% confidence interval]: -0.18 [-0.35 to -0.004] versus 0.09 [-0.06 to 0.26]; P=0.02). Furthermore, this relationship between coronary plaque morphology and change in LMCA inflammatory activity remained significant after adjusting for baseline low-density lipoprotein and statin dose (beta=-0.27; P=0.038). CONCLUSIONS: In this first study to evaluate the impact of statins on coronary inflammation, we observed that the anti-inflammatory impact of statins is substantially greater within coronary plaques that contain HRM features. These findings suggest an additional mechanism by which statins disproportionately benefit individuals with more advanced atherosclerotic disease. CLINICAL TRIAL REGISTRATION: URL: http://www.clinicaltrials.gov. Unique identifier: NCT00703261

Prevalence of Neospora caninum and Toxoplasma gondii Antibodies and DNA in Raw Milk of Various Ruminants in Egypt.

The prevalence of Neospora caninum and Toxoplasma gondii antibodies in raw milk samples was estimated in different ruminants and Egyptian governorates. Of 13 bulk milk samples tested by ELISA, five (38.5%) were positive for antibodies to N. caninum, and two samples were additionally positive for antibodies to T. gondii, resulting in a seroprevalence of 15.4% for both T. gondii and co-infection. In individual milk samples (n = 171) from the same bulks, antibodies to N. caninum were detected in 25.7%, to T. gondii in 14%, and 3.5% had antibodies to both parasites. A strong correlation between the OD values of the bulk samples and of the relevant individual milk samples was found for T. gondii (Pearson r = 0.9759) and moderately strong for N. caninum (Pearson r = 0.5801). Risk factor assessment for individual milk samples revealed that antibodies to T. gondii were significantly influenced by animal species, while no risk factors were detected for N. caninum antibodies. Additionally, DNA of N. caninum was detected in a bulk milk sample of cattle for the first time in Egypt, and DNA of T. gondii was found in bulk milk samples of cattle, sheep and goats. This is the first study in Egypt in which bulk milk samples of different ruminants were tested for the presence of N. caninum and T. gondii antibodies and DNA. Both individual and bulk milk samples are useful tools for monitoring antibody response to N. caninum and T. gondii infections in different ruminants in Egypt

A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C7H6N3O2)2[ZnCl4]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

The slow solvent evaporation approach was used to create a single crystal of (CHNO)[ZnCl] at room temperature. Our compound has been investigated by single-crystal XRD which declares that the complex crystallizes in the monoclinic crystallographic system with the P2/c as a space group. The molecular arrangement of the compound can be described by slightly distorted tetrahedral ZnCl anionic entities and 5-nitrobenzimidazolium as cations, linked together by different non-covalent interaction types (H-bonds, Cl…Cl, π…π and C–H…π). Hirshfeld’s surface study allows us to identify that the dominant contacts in the crystal building are H…Cl/Cl…H contacts (37.3%). FT-IR method was used to identify the different groups in (CHNO)[ZnCl]. Furthermore, impedance spectroscopy analysis in 393 ≤ T ≤ 438 K shows that the temperature dependence of DC conductivity follows Arrhenius’ law. The frequency–temperature dependence of AC conductivity for the studied sample shows one region (E = 2.75 eV). In order to determine modes of interactions of compound with double stranded DNA, molecular docking simulations were performed at molecular level

The Impact of Restrictive Versus Conservative Intraoperative Fluid Strategies upon the Renal Outcome in Colorectal Surgeries. A Randomized Controlled Trial

Background: intraoperative fluid handling has a lot of concerns upon the postoperative organ function. One of the most sensitive organs which could be affected is the kidney. Objectives: We conducted this trial to address the impact of restrictive vs. conservative fluid approaches on postoperative renal complications, hemodynamics and hospital stay. Patients and methods: Prospective, randomized, double-blind placebo-controlled trial at Assiut University Hospitals. The study included 60 adult patients with American Society of Anesthesiologists (ASA) grade II-III undergoing elective colorectal surgery with an expected operative duration of at least two hours. Grouping was based upon the intraoperative fluid management Group (R): 6 mL/kg/h. of lactated ringer (LR), Group (C): 12 mL/kg/h. of LR. The preoperative serum Neutrophil gelatinase-associated lipocalin (NGAL) level (basal value) then by the 2nd and 24th postoperative hours, KDIGO (Kidney Disease: Improving Global Outcomes), serum urea and creatinine were documented by the end of 1st and 2nd postoperative days. Intraoperative hypovolemia events were noted as well. Results: serum NGAL has increased >149 ng/mlin three patients within group C, and two patients within group R; however, the difference was statistically insignificant p= 0.5. KDIGO showed significant difference between the two groups, with higher number of patients in the group R with p= 0.043. Serum urea and creatinine, intraoperative hypovolemic episodes showed insignificant differences between groups. Conclusion: no evident difference between restrictive and conservative intraoperative fluid strategies was noticed upon the early postoperative serum NGAL and other systems complications in patients undergoing major colorectal surgeries

Toxoplasma gondii and Neospora caninum Antibodies in Dogs and Cats from Egypt and Risk Factor Analysis.

BACKGROUND Toxoplasma gondii and Neospora caninum are major protozoan parasites of worldwide distribution and significance in veterinary medicine and, for T. gondii, in public health. Cats and dogs, as final hosts for T. gondii and N. caninum, respectively, have a key function in environmental contamination with oocysts and, thus, in parasite transmission. Very little is known about the prevalence of T. gondii infections in dogs and cats in Egypt, and even less about the prevalence of N. caninum in the same hosts. METHODS In the current study, 223 serum samples of both dogs (n = 172) and cats (n = 51) were investigated for specific antibodies to T. gondii and N. caninum using commercially available ELISAs. A risk factor analysis was conducted to identify factors associated with seropositivity. RESULTS & DISCUSSION Exposure to T. gondii was reported in 23.3% of the dogs and in 9.8% of the cats, respectively. In addition, N. caninum-specific antibodies were recorded in 5.8% of dogs and in 3.4% of cats. A mixed infection was found in two dogs (1.2%) and in one cat (2%). Antibodies to T. gondii in dogs were significantly more frequent in dogs aged 3 years or more and in male German Shepherds. As this breed is often used as watchdogs and was the most sampled breed in Alexandria governorate, the purpose "watchdog" (compared to "stray" or "companion"), the male sex, and the governorate "Alexandria" also had a significantly higher seroprevalence for T. gondii. No factors associated with antibodies to N. caninum could be identified in dogs, and no significant factors were determined in cats for either T. gondii or N. caninum infection. Our study substantially adds to the knowledge of T. gondii infection in dogs and cats and presents data on N. caninum infection in cats for the first and in dogs in Egypt for the second time

Seroprevalence of Toxoplasma gondii and Neospora caninum in camels recently imported to Egypt from Sudan and a global systematic review.

INTRODUCTION Toxoplasma gondii and Neospora caninum are closely related intracellular protozoan parasites of medical and veterinary concern by causing abortions and systemic illness. Limited or ambiguous data on the prevalence of T. gondii and N. caninum in camels triggered us to conduct this study. METHODS Camels (n = 460) recently imported from Sudan and destined mainly for human consumption, were tested for specific antibodies against these protozoans using commercially available ELISAs. From the two only quarantine stations for camels from Sudan, 368 camels were sampled between November 2015 and March 2016 in Shalateen, Red Sea governorate, and 92 samples were collected between September 2018 and March 2021 from Abu Simbel, Aswan governorate. RESULTS & DISCUSSION Overall, seropositive rates in camels were 25.7%, 3.9% and 0.8% for T. gondii, N. caninum and mixed infection, respectively. However, marked differences were found between the two study sites and/or the two sampling periods: For T. gondii, a higher rate of infection was recorded in the Red Sea samples (31.5%, 116/368; odds ratio 20.7, 5.0-85.6; P<0.0001) than in those collected in Aswan (2.2%, 2/92). The opposite was found for N. caninum with a lower rate of infection in the Red Sea samples (0.82%, 3/368; odds ratio 23.7, 6.7-83.9; P<0.0001) than in the samples from Aswan (16.3%, 15/92). Additionally, our systematic review revealed that the overall published seroprevalence of T. gondii and N. caninum was 28.6% and 14.3% in camels worldwide, respectively. To the best of our knowledge, this study provides the first record of seroprevalence of both T. gondii and N. caninum in recently imported camels kept under quarantine conditions before delivery to other Egyptian cities and regions. In addition, our review provides inclusive data on the prevalence of T. gondii and N. caninum in camel globally. This knowledge provides basic data for the implementation of strategies and control measures against neosporosis and toxoplasmosis

Speed limit determination of fishing boats in confined water based on ship generated waves

Ship generated waves (SGW) can cause bank erosion, disturbance to moored boats and bad impact on the environment especially in confined water. One of the important vessel parameters that will affect the SGW is the speed of the boat. The speed limit determination for fishing boats in confined water will be discussed which can be used as a reference to decide the maximum boat or ship speed. The confined water of Mersing River has been chosen for the current study. This river is a busy river located in Johor in the southeast area of Peninsular Malaysia. The limited speed is needed in this river because the river is restricted to many boat activities. The typical boat particulars in Mersing River are 14.05 m in length, 4.35 m in breadth and 1 m in draft. The field experiment has been conducted with several scenarios considering the speed and tidal conditions. The results of the experiment were used to determine the maximum energy of SGW in this area. By using trendline characteristics, the formula of maximum energy was generated by considering the speed of the boat. The Brisbane River Criteria in Australian River has been selected due to the same characteristic with Mersing River. Hence, the reference for allowable energy was defined in this study. By using this river criteria, the limit of the boat speed was provided for all tidal conditions (ebbing, slack and flooding), and it was found that the allowable speed as the speed limit in the Mersing River is 5 knots. This will reduce bank erosion, disturbance to moored boats, environmental impacts and energy consumption. Moreover, the generating process of the formula can be a reference to get the speed limit at particular area as the river in other areas

ВЫБОР ЗАЩИТНЫХ ГРУПП ПРИ ОПТИМИЗАЦИИ СИНТЕЗА МОНОМЕРОВ γ-ПНК НА ОСНОВЕ L-ГЛУТАМИНОВОЙ КИСЛОТЫ

This work is devoted to optimization of the synthesis of γ-S-carboxyethyl monomers of PNA based on L-Glu. PNA are promising compounds that hybridize with DNA or RNA, and due to their properties they are used in molecular biology, personalized medicine, and can also be used to create nanomaterials. To increase the yield of the desired monomers, it has been proposed to replace the benzyl protecting group with the carboxy function of the side radical by cyclohexyl one. Two synthetic schemes were proposed. In the first of them, γ-benzyl-N-Boc-glutamic acid, which was reduced to β-amino alcohol, was the starting compound. The hydroxyl group was protected by a dimethyl-tert-butylsilyl group. The benzyl ester in the side radical was cleaved by reduction on a palladium catalyst using ammonium formate. However, the subsequent acylation of cyclohexyl alcohol failed. In the second of the proposed schemes, a known sequence of reactions was used, which led to the formation of a cyclic derivative of Cbz-protected glutamic acid. Then, the resulting compound was acylated with cyclohexyl alcohol to give the desired ester. The subsequent transformation of the protective groups of the ester resulted in the diprotected L-glutamic acid in three stages. Subsequent reduction gave the desired protected β-amino alcohol containing a cyclohexyl protecting group in the side radical. This compound was further used in the Mitsunobu reaction to obtain a completely protected core of the PNA monomer. Subsequent thiolysis reaction resulted in the formation of the target secondary amine, the stability of which substantially exceeded the stability of its analog with benzyl protection, obtained and investigated before. The structure of the new compounds obtained is confirmed by 1H-NMR spectroscopy.Работа посвящена оптимизации синтеза γ-(S)-карбоксиэтильных мономеров ПНК на основе L-Glu. ПНК - перспективные соединения, которые гибридизуются с ДНК или РНК, а благодаря своим свойствам находят применение в молекулярной биологии, персонализированной медицине, а также могут использоваться для создания наноматериалов. Для увеличения выхода целевых мономеров было предложено заменить бензильную защитную группу на карбокси-функции бокового радикала на циклогексильную. Были предложены две синтетические схемы. В первой из них исходным соединением выступала γ-бензил-N-Boc-глутаминовая кислота, которую восстанавливали до β-аминоспирта; гидроксильную функцию защищали диметил-трет-бутилсилильной группой; бензиловый эфир в боковом радикале расщепляли восстановлением на палладиевом катализаторе, используя формиат аммония. Однако осуществить последующее ацилирование циклогексилового спирта не удалось. Во второй из предложенных схем была использована известная последовательность реакций, которая привела к образованию циклического производного Cbz-защищенной глутаминовой кислоты. Затем данным соединением ацилировали циклогексиловый спирт с получением целевого сложного эфира. Последующая трансформация защитных групп эфира приводила в три стадии к дизащищенной L-глутаминовой кислоте. Затем реакцией восстановления был получен желаемый защищенный β-аминоспирт, содержащий циклогексильную защитную группу в боковом радикале. Далее это соединение использовали в реакции Мицунобу с получением полностью защищенного остова мономера ПНК. Последовательно проведенная реакция тиолиза Ns-защитной группы привела к образованию целевого вторичного амина, стабильность которого существенно превзошла стабильность его аналога с бензильной защитой, полученного и исследованного ранее. При этом выход реакции тиолиза повысился в 2 раза. Структура новых соединений подтверждена данными 1Н-ЯМР-спектроскопии