bluuebunny/crossref_metadata_2025 huggingface dataset:
Pharmacodynamics, Pharmacokinetics, and Kidney Distribution of Raw and Wine-Steamed Ligustri Lucidi Fructus Extracts in Diabetic Nephropathy Rats
Authors: Luan Ruqiao , Zhao Pan , Zhang Xuelan , Li Qinqing , Chen Xinfeng , Wang Ling
Published: January 2023

The purpose of this study was to investigate differences in the pharmacodynamic, pharmacokinetic, and kidney distribution between Ligustri Lucidi Fructus (LLF) and wine-steamed Ligustri Lucidi Fructus (WLL) extracts in diabetic nephropathy (DN) rats. The DN rats were induced by high-fat-sugar diet (HFSD)/streptozotocin (STZ) regimen. For pharmacodynamics, the DN rats were treated with LLF and WLL extracts to assess the anti-diabetic nephropathy effects. For pharmacokinetics and kidney distribution, the concentrations of drugs (hydroxytyrosol, salidroside, nuezhenidic acid, oleoside-11-methyl ester, specnuezhenide, 1‴-O-β-d-glucosylformoside, G13, and oleonuezhenide) were determined. Regarding the pharmacodynamics, LLF and WLL extracts decreased the levels of blood glucose, serum creatinine (SCr), blood urea nitrogen (BUN), and 24-h urinary protein (24-h Upro) in DN rats. Furthermore, LLF and WLL extracts increased the level of high-density lipoprotein cholesterol (HDL-C); decreased the levels of total cholesterol (TC), triglycerides (TG), low-density lipoprotein cholesterol (LDL-C); and reduced levels of pro-inflammatory cytokines (IL-1β, TNF-α, and IL-6) in DN rats. The anti-diabetic nephropathy effect of the WLL extract was better than that of the LLF extract. Regarding the pharmacokinetic and kidney tissue distribution, there were obvious differences in the eight ingredients between LLF and WLL extracts in DN rats. LLF and WLL extracts had protective effects on DN rats, while the WLL extract was better than the LLF extract regarding anti-diabetic nephropathy effects. The pharmacokinetic parameters and kidney distribution showed that wine-steaming could affect the absorption and distribution of the eight ingredients. The results provided a reasonable basis for the study of the clinical application and processing mechanism of LLF.
Erythromycin Scavenging from Aqueous Solutions by Zeolitic Materials Derived from Fly Ash
Authors: Grela Agnieszka , Kuc Joanna , Klimek Agnieszka , Matusik Jakub , Pamuła Justyna , Franus Wojciech , Urbański Kamil , Bajda Tomasz
Published: January 2023

Erythromycin (EA) is an antibiotic whose concentration in water and wastewater has been reported to be above the standard levels. Since the methods used so far to remove EA from aquatic environments have not been effective, the development of effective methods for EA removal is necessary. In the present study, fly ash (FA)-based zeolite materials, which have not been investigated as EA sorbents before, were used. The possibilities of managing waste FA and using its transformation products for EA sorption were presented. The efficiency of EA removal from experimental solutions and real wastewater was evaluated. In addition, the sorbents’ mineral composition, chemical composition, and physicochemical properties and the effects of adsorbent mass, contact time, initial EA concentration, and pH on EA removal were analyzed. The EA was removed within the first 2 min of the reaction with an efficiency of 99% from experimental solutions and 94% from real wastewater. The maximum adsorption capacities were 314.7 mg g−1 for the fly ash-based synthetic zeolite (NaP1_FA) and 363.0 mg g−1 for the carbon–zeolite composite (NaP1_C). A fivefold regeneration of the NaP1_FA and NaP1_C showed no significant loss of adsorption efficiency. These findings indicate that zeolitic materials effectively remove EA and can be further investigated for removing other pharmaceuticals from water and wastewater.
Revisiting the Use of Quantum Chemical Calculations in LogPoctanol-water Prediction
Authors: Roy Dipankar , Patel Chandan
Published: January 2023

The partition coefficients of drug and drug-like molecules between an aqueous and organic phase are an important property for developing new therapeutics. The predictive power of computational methods is used extensively to predict partition coefficients of molecules. The application of quantum chemical calculations is used to develop methods to develop structure–activity relationship models for such prediction, either based on molecular fragment methods, or via direct calculation of solvation free energy in solvent continuum. The applicability, merits, and shortcomings of these developments are revisited here.
Biochemical Composition, Antioxidant Activity and Antiproliferative Effects of Different Processed Garlic Products
Authors: Lu Jingyang , Li Nannan , Li Shuqin , Liu Wei , Li Mingyue , Zhang Min , Chen Haixia
Published: January 2023

Garlic (Allium sativum L.) is a type of agricultural product that is widely used as a food spice, herb and traditional medicine. White garlic (WG) can be processed into several kinds of products, such as green garlic (GG), Laba garlic (LAG) and black garlic (BG), which have multiple health effects. In this study, GC-MS (gas chromatography-mass spectrometry), DPPH (1,1′-diphenyl-2-propionyl hydrazide) radical scavenging, hydroxyl radical scavenging and MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) in vitro assays were used to compare the composition, antioxidant and antiproliferation effects of different processed garlic extracts. The relationship between the constituents and the bioactivities was analyzed using the principal components analysis (PCA) and heatmap analysis. BG showed the highest antioxidant activity (IC50 = 0.63 ± 0.02 mg/mL) in DPPH radical assays and the highest antioxidant activity (IC50 = 0.80 ± 0.01 mg/mL) by hydroxyl radical assay. Moreover, GC-MS results showed that 12 organosulfur compounds were detected in the extracts of four garlic products, and allyl methyl trisulfide showed a positive relation with the anticancer activity on SMMC-7721 cells (hepatocellular carcinoma cells). The results suggested that the processing of garlic had a significant influence on the constituents and antioxidant effects and that GG, LAG and BG might be better candidates for the related functional food products compared to WG.
Oridonin Induces Apoptosis in Esophageal Squamous Cell Carcinoma by Inhibiting Cytoskeletal Protein LASP1 and PDLIM1
Authors: Zhang Xiaojun , Xing Mengtao , Ma Yangcheng , Zhang Zhuangli , Qiu Cuipeng , Wang Xiao , Zhao Zhihong , Ji Zhenyu , Zhang Jian-Ying
Published: January 2023

Esophageal squamous cell carcinoma is a severe malignancy for its high mortality and poor prognosis. Mainstay chemotherapies cause serious side effects for their ways of inducing cell death. Oridonin is the main bioactive constituent from natural plants that has anticancer ability and weak side effects. The proteomics method is efficient to understand the anticancer mechanism. However, proteins identified by proteomics aimed at understanding oridonin’s anticancer mechanism is seldom overlapped by different groups. This study used proteomics based on two-dimensional electrophoresis sodium dodecyl sulfate-polyacrylamide gel electrophoresis (2-DE SDS-PAGE) integrated with mass spectrometry and Gene Set Enrichment Analysis (GSEA) to understand the anticancer mechanism of oridonin on esophageal squamous cell carcinoma (ESCC). The results showed that oridonin induced ESCC cell death via apoptosis by decreasing the protein expression of LASP1 and PDLIM1.
Safety Assessment of Starch Nanoparticles as an Emulsifier in Human Skin Cells, 3D Cultured Artificial Skin, and Human Skin
Authors: Kim So-Yeon , Shin Hye-Young , Kim Jong-Yea , Park Se Jin
Published: January 2023

Emulsion systems are widely used in various industries, including the cosmetic, pharmaceutical, and food industries, because they require emulsifiers to stabilize the inherently unstable contact between oil and water. Although emulsifiers are included in many products, excessive use of emulsifiers destroys skin barriers and causes contact dermatitis. Accordingly, the consumer demand for cosmetic products made from natural ingredients with biocompatibility and biodegradability has increased. Starch in the form of solid nanosized particles is considered an attractive emulsifier that forms and stabilizes Pickering emulsion. Chemical modification of nanosized starch via acid hydrolysis can effectively provide higher emulsion stability. However, typical acid hydrolysis limits the industrial application of starch due to its high time consumption and low recovery. In previous studies, the effects of starch nanoparticles (SNPs) prepared by treatment with acidic dry heat, which overcomes these limitations, on the formation and stability of Pickering emulsions were reported. In this study, we evaluated the safety of SNPs in skin cell lines, 3D cultured skin, and human skin. We found that the cytotoxicity of SNPs in both HaCaT cells and HDF cells could be controlled by neutralization. We also observed that SNPs did not induce structural abnormalities on 3D cultured skin and did not permeate across micropig skin tissue or human skin membranes. Furthermore, patches loaded with SNPs were found to belong in the “No irritation” category because they did not cause any irritation when placed on human skin. Overall, the study results suggest that SNPs can be used as a safe emulsifier in various industries, including in cosmetics.
Reshuffle Bonds by Ball Milling: A Mechanochemical Protocol for Charge-Accelerated Aza-Claisen Rearrangements
Authors: Schumacher Christian , Fritz Lieselotte , Hanek Lena M. , Sidorin Vitali , Brüx Daniel , Bolm Carsten
Published: January 2023

This study presents the development of a mechanochemical protocol for a charge-accelerated aza-Claisen rearrangement. The protocol waives the use of commonly applied transition metals, ligands, or pyrophoric Lewis acids, e.g., AlMe3. Based on (heterocyclic) tertiary allylamines and acyl chlorides, the desired tertiary amides were prepared in yields ranging from 17% to 84%. Moreover, the same protocol was applied for a Belluš–Claisen-type rearrangement resulting in the synthesis of a 9-membered lactam without further optimization.
Involvement of Nitric Oxide in Protecting against Radical Species and Autoregulation of M1-Polarized Macrophages through Metabolic Remodeling
Authors: Fujii Junichi , Osaki Tsukasa
Published: January 2023

When the expression of NOS2 in M1-polarized macrophages is induced, huge amounts of nitric oxide (•NO) are produced from arginine and molecular oxygen as the substrates. While anti-microbial action is the primary function of M1 macrophages, excessive activation may result in inflammation being aggravated. The reaction of •NO with superoxide produces peroxynitrite, which is highly toxic to cells. Alternatively, however, this reaction eliminates radial electrons and may occasionally alleviate subsequent radical-mediated damage. Reactions of •NO with lipid radicals terminates the radical chain reaction in lipid peroxidation, which leads to the suppression of ferroptosis. •NO is involved in the metabolic remodeling of M1 macrophages. Enzymes in the tricarboxylic acid (TCA) cycle, notably aconitase 2, as well as respiratory chain enzymes, are preferential targets of •NO derivatives. Ornithine, an alternate compound produced from arginine instead of citrulline and •NO, is recruited to synthesize polyamines. Itaconate, which is produced from the remodeled TCA cycle, and polyamines function as defense systems against overresponses of M1 macrophages in a feedback manner. Herein, we overview the protective aspects of •NO against radical species and the autoregulatory systems that are enabled by metabolic remodeling in M9-polarized macrophages.
Composite Materials Based on a Zr4+ MOF and Aluminosilicates for the Simultaneous Removal of Cationic and Anionic Dyes from Aqueous Media
Authors: Georgianos Petros , Pournara Anastasia D. , Andreou Evangelos K. , Armatas Gerasimos S. , Manos Manolis J.
Published: January 2023

Environmental pollution has been a reality for many decades, with its contamination intensifying daily due to rapid urbanization and the ever-increasing world population. Dyes, and especially synthetic ones, constitute a category of pollutants that not only affect the quality of water but also exhibit high toxicity toward living organisms. This study was thoroughly planned to explore the removal of two toxic dyes, namely the methylene blue (MB) and methyl orange (MO) compounds from contaminated aqueous media. For this purpose, we designed and synthesized two new composite materials based on ammonium-functionalized Zr4+ MOF (MOR-1 or UiO-66-NH3+) and naturally occurring sorbents, such as bentonite and clinoptilolite. The composite materials displayed exceptional sorption capability toward both MB+ and MO− ions. A key finding of this study was the high efficiency of the composite materials to simultaneously remove MB+ and MO− under continuous flow conditions, also showing regeneration capability and reusability, thus providing an alternative to well-known mixed bed resins.
Sweet-Potato-Vine-Based High-Performance Porous Carbon for Methylene Blue Adsorption
Authors: Zhang Wenlin , Zhao Yuhong , Liao Qinhong , Li Zhexin , Jue Dengwei , Tang Jianmin
Published: January 2023

In this study, sweet-potato-vine-based porous carbon (SPVPC) was prepared using zinc chloride as an activating and pore-forming agent. The optimised SPVPC exhibited abundant porous structures with a high specific surface area of 1397.8 m2 g−1. Moreover, SPVPC exhibited excellent adsorption characteristics for removing methylene blue (MB) from aqueous solutions. The maximum adsorption capacity for MB reached 653.6 mg g−1, and the reusability was satisfactory. The adsorption kinetics and isotherm were in good agreement with the pseudo-second-order kinetics and Langmuir models, respectively. The adsorption mechanism was summarised as the synergistic effects of the hierarchically porous structures in SPVPC and various interactions between SPVPC and MB. Considering its low cost and excellent adsorption performance, the prepared porous carbon is a promising adsorbent candidate for dye wastewater treatment.
Effect of Europium Substitution on the Structural, Magnetic and Relaxivity Properties of Mn-Zn Ferrite Nanoparticles: A Dual-Mode MRI Contrast-Agent Candidate
Authors: Saeidi Hamidreza , Mozaffari Morteza , Ilbey Serhat , Dutz Silvio , Zahn Diana , Azimi Gholamhassan , Bock Michael
Published: January 2023

Magnetic nanoparticles (MNPs) have been widely applied as magnetic resonance imaging (MRI) contrast agents. MNPs offer significant contrast improvements in MRI through their tunable relaxivities, but to apply them as clinical contrast agents effectively, they should exhibit a high saturation magnetization, good colloidal stability and sufficient biocompatibility. In this work, we present a detailed description of the synthesis and the characterizations of europium-substituted Mn–Zn ferrite (Mn0.6Zn0.4EuxFe2−xO4, x = 0.00, 0.02, 0.04, 0.06, 0.08, 0.10, and 0.15, herein named MZF for x = 0.00 and EuMZF for others). MNPs were synthesized by the coprecipitation method and subsequent hydrothermal treatment, coated with citric acid (CA) or pluronic F127 (PF-127) and finally characterized by X-ray Diffraction (XRD), Inductively Coupled Plasma (ICP), Vibrating Sample Magnetometry (VSM), Fourier-Transform Infrared (FTIR), Dynamic Light Scattering (DLS) and MRI Relaxometry at 3T methods. The XRD studies revealed that all main diffraction peaks are matched with the spinel structure very well, so they are nearly single phase. Furthermore, XRD study showed that, although there are no significant changes in lattice constants, crystallite sizes are affected by europium substitution significantly. Room-temperature magnetometry showed that, in addition to coercivity, both saturation and remnant magnetizations decrease with increasing europium substitution and coating with pluronic F127. FTIR study confirmed the presence of citric acid and poloxamer (pluronic F127) coatings on the surface of the nanoparticles. Relaxometry measurements illustrated that, although the europium-free sample is an excellent negative contrast agent with a high r2 relaxivity, it does not show a positive contrast enhancement as the concentration of nanoparticles increases. By increasing the europium to x = 0.15, r1 relaxivity increased significantly. On the contrary, europium substitution decreased r2 relaxivity due to a reduction in saturation magnetization. The ratio of r2/r1 decreased from 152 for the europium-free sample to 11.2 for x = 0.15, which indicates that Mn0.6Zn0.4Eu0.15Fe1.85O4 is a suitable candidate for dual-mode MRI contrast agent potentially. The samples with citric acid coating had higher r1 and lower r2 relaxivities than those of pluronic F127-coated samples.
Protecting Low-Income Consumers in the Era of Digital Grocery Shopping: Implications for WIC Online Ordering
Authors: Zhang Qi , Patel Priyanka , Lowery Caitlin M.
Published: January 2023

The Special Supplemental Nutrition Program for Women, Infants, and Children (WIC) is now expected to allow participants to redeem their food benefits online, i.e., via online ordering, rather than only in-store. However, it is unclear how this new benefit redemption model may impact participants’ welfare since vendors may have an asymmetric information advantage compared with WIC customers. The WIC online ordering environment may also change the landscape for WIC vendors, which will eventually affect WIC participants. To protect WIC consumers’ rights in the new online ordering model, policymakers need an appropriate legal and regulatory framework. This narrative review provides that framework by reviewing the literature, legal treatises, and reports on enforceable laws and regulations in the U.S. relevant to digital marketing. The results identify key issues that may arise with adopting WIC online ordering. This paper suggests “privacy, transparency, and fairness” as guiding principles to protect the welfare of WIC participants in WIC online ordering.
Dairy Food Consumption Is Associated with Reduced Risk of Heart Disease Mortality, but Not All-Cause and Cancer Mortality in US Adults
Authors: Papanikolaou Yanni , Fulgoni Victor L.
Published: January 2023

Previous evidence has linked animal protein intake, including dairy foods, with an increased risk in mortality from all-causes and certain chronic diseases, including cancer and heart disease. The objective of the current analysis was to examine associations between total dairy consumption with mortality from all-causes, cancer, and heart disease. Data for adults (≥19 y; n = 54,830) from the Third National Health and Nutrition Examination Survey (NHANES) and NHANES 1999–2014 were linked with mortality data through 2015. Individual usual intake for dairy foods were estimated using the National Cancer Institute method. Hazard ratio (HR) models were fit for mortality types (all cause, cancer, heart disease) and measures of usual intakes of dairy. Multivariable analysis further adjusted for age, gender, ethnicity, waist circumference, smoking status, education level, chronic condition status (i.e., based on cancer, myocardial infarct, and diabetes/diabetes medication reported), weight loss attempts, and % kcal from animal protein. No associations were seen between dairy food intake and mortality risk from all-causes [HR = 0.97; confidence intervals (CI): 0.85–1.11; p = 0.67], and cancer [HR = 0.95; CI: 0.75–1.20; p = 0.65] when comparing the lowest quartile to the highest quartile of consumption. Dairy food consumption was associated with a 26% reduced risk for heart disease mortality when comparing the lowest quartile to the highest quartile [HR = 0.74; CI: 0.54–1.01; p = 0.05]. Further analyses in different age groups showed that dairy food consumption was associated with 39% and 31% reduced risk for heart disease mortality in older adults 51–70 and ≥51 y, respectively [adults 51–70 y: HR = 0.61; CI: 0.41–0.91; p = 0.01; adults ≥51 y: HR = 0.69; CI: 0.54–0.89; p = 0.004]. These results contradict previous findings that have linked dairy foods to increased mortality risk. Further, dairy foods as part of a healthy dietary pattern, may help lower heart disease mortality risk.
Sodium Homeostasis, a Balance Necessary for Life
Authors: Bernal Antonio , Zafra María A. , Simón María J. , Mahía Javier
Published: January 2023

Body sodium (Na) levels must be maintained within a narrow range for the correct functioning of the organism (Na homeostasis). Na disorders include not only elevated levels of this solute (hypernatremia), as in diabetes insipidus, but also reduced levels (hyponatremia), as in cerebral salt wasting syndrome. The balance in body Na levels therefore requires a delicate equilibrium to be maintained between the ingestion and excretion of Na. Salt (NaCl) intake is processed by receptors in the tongue and digestive system, which transmit the information to the nucleus of the solitary tract via a neural pathway (chorda tympani/vagus nerves) and to circumventricular organs, including the subfornical organ and area postrema, via a humoral pathway (blood/cerebrospinal fluid). Circuits are formed that stimulate or inhibit homeostatic Na intake involving participation of the parabrachial nucleus, pre-locus coeruleus, medial tuberomammillary nuclei, median eminence, paraventricular and supraoptic nuclei, and other structures with reward properties such as the bed nucleus of the stria terminalis, central amygdala, and ventral tegmental area. Finally, the kidney uses neural signals (e.g., renal sympathetic nerves) and vascular (e.g., renal perfusion pressure) and humoral (e.g., renin–angiotensin–aldosterone system, cardiac natriuretic peptides, antidiuretic hormone, and oxytocin) factors to promote Na excretion or retention and thereby maintain extracellular fluid volume. All these intake and excretion processes are modulated by chemical messengers, many of which (e.g., aldosterone, angiotensin II, and oxytocin) have effects that are coordinated at peripheral and central level to ensure Na homeostasis.
Association between Selenium Intake and Optimal Sleep Duration: A National Longitudinal Study
Authors: Zhao Lingxi , Li Shengping , Zhu Yuzhao , Wang Tiankun , Su Yu , Shi Zumin , Zhang Yangchang , Zhao Yong
Published: January 2023

Inconsistent findings have been discovered in studies examining the link between dietary selenium (Se) and sleep. Data were obtained from 17,176 people aged 20 and over who participated in the China Health and Nutrition Survey (CHNS) from 2004 to 2011. Face-to-face interviews were used to measure sleep duration in 2004, 2006, 2009, and 2011. To track dietary Se consumption, a 3-day, 24-h recall was undertaken. In the analysis, multilevel mixed-effects logistic regression was employed. The odds ratios (95% confidence intervals) of optimal sleep duration (7–9 h/day) in the regression of Model 4 were 1.00, 1.01 (0.89–1.15) and 1.19 (1.02–1.38) for the three tertiles of selenium consumption, respectively. Only overweight patients displayed a substantial positive connection between Se intake and the optimal sleep duration in the subgroup analysis. In summary, Se intake was significantly associated with optimal sleep duration.
Assessment of Dietary Intake of Iodine and Risk of Iodine Deficiency in Children with Classical Galactosaemia on Dietary Treatment
Authors: Milner Dearbhla , Boyle Fiona , McNulty Jenny , Knerr Ina
Published: January 2023

Iodine is an essential mineral required for the synthesis of thyroid hormones. Iodine plays a critical role in growth and neurocognitive development. Classical galactosaemia is a disorder resulting from an inborn error in galactose metabolism. Its current management consists of life-long lactose and galactose dietary restriction. This study estimated dietary intakes of iodine in infants and children with classical galactosaemia in the Republic of Ireland. The diets of 43 participants (aged 7 months–18 years) with classical galactosaemia were assessed for iodine intake using an iodine-specific food frequency questionnaire. Intakes were compared to the European Food Safety Authority (EFSA) dietary recommendations for iodine intake. The potential role of iodine fortification of dairy alternative products was also examined. There were no significant differences observed between sex, ethnicity and parental education and meeting dietary iodine recommendations. Differences, however, were seen between age groups, causing the p value to approach statistical significance (p = 0.06). Infants consuming infant formula were likely to meet iodine recommendations. However, over half (53%) of children aged 1–18 years had average intakes below the recommendations for age. For these children, consumption of iodine-fortified dairy alternative milk was the leading source of iodine in the diets, followed by fish/shellfish and eggs. An assessment of iodine intake should be undertaken during dietetic reviews for those with classical galactosaemia. Mandatory iodine fortification of all dairy alternative products would result in 92% of the total population cohort meeting iodine recommendations based on their current consumption.
Validation of Diet ID™ in Predicting Nutrient Intake Compared to Dietary Recalls, Skin Carotenoid Scores, and Plasma Carotenoids in University Students
Authors: Radtke Marcela D. , Chodur Gwen M. , Bissell Michael C. S. , Kemp Leslie C. , Medici Valentina , Steinberg Francene M. , Scherr Rachel E.
Published: January 2023

Background and Aim: Collecting accurate dietary information in the research setting is challenging due to the inherent biases, duration, and resource-intensive nature of traditional data collection methods. Diet ID™ is a novel, rapid assessment method that uses an image-based algorithm to identify dietary patterns and estimate nutrient intake. The purpose of this analysis was to explore the criterion validity between Diet ID™ and additional measures of dietary intake. Methods: This prospective cohort study (n = 42) collected dietary information using Diet ID™, the Nutrition Data System for Research (NDSR), plasma carotenoid concentrations, and the Veggie Meter® to estimate carotenoid levels in the skin. Results: There were significant correlations between Diet ID™ and NDSR for diet quality, calories, carbohydrates, protein, fiber, and cholesterol. Vitamin A and carotenoid intake were significantly correlated, with the exception of α-carotene and lycopene. Significant correlations were observed for calcium, folate, iron, sodium, potassium, Vitamins B2, B3, B6, C, and E. Skin carotenoid scores and plasma carotenoids were correlated with carotenoid intake from Diet ID™. Conclusions: Diet ID™ may be a useful tool in nutrition research as a less time-intensive and minimally burdensome dietary data collection method for both participants and researchers.
Associations of Dietary Zinc–Vitamin B6 Ratio with All-Cause Mortality and Cardiovascular Disease Mortality Based on National Health and Nutrition Examination Survey 1999–2016
Authors: Zhang Naijian , Li Zhilin , Wu Qingcui , Huang Huijie , Wang Siting , Liu Yuanyuan , Chen Jiageng , Ma Jun
Published: January 2023

Previous studies have suggested a possible association among dietary zinc and vitamin B6 intake and CVD mortality and all-cause mortality. However, evidence on the association of dietary zinc and vitamin B6 intake and their interactions with CVD mortality and all-cause mortality remains unclear. This prospective study utilized data from the US National Health and Nutrition Examination Survey (NHANES) from 1999 to 2016. After a median follow-up of 10.4 years, 4757 deaths were recorded among 36,081 participants. Higher dietary zinc intake levels (≥9.87 mg/day) were associated with lower CVD mortality (hazard ratio (HR) = 0.85, 95% confidence interval (CI): 0.83–0.87). Vitamin B6 intake levels (≥1.73 mg/day) were associated with lower CVD mortality (HR = 0.91, 95% CI: 0.86–0.96) and all-cause mortality (HR = 0.91, 95% CI: 0.90–0.93). Higher dietary zinc intake and higher vitamin B6 intake were associated with a lower risk of CVD mortality, with an interaction between dietary zinc intake levels and vitamin B intake levels (LZLV group (HR, CI): 1.21,1.12–1.29; LZHV group (HR, CI): 1.42, 1.34–1.50; LZHV group (HR, CI): 1.28, 1.14–1.45; HZHV group (HR, CI): ref). There was also a J-type association (p for nonlinear < 0.001) between the dietary zinc–vitamin B6 ratio and CVD mortality, with a high dietary zinc–vitamin B6 ratio increasing the risk of CVD mortality (HR = 1.27, 95% CI: 1.19–1.35), whereas a moderate dietary zinc–vitamin B6 ratio appeared to be beneficial for CVD mortality. These results suggest that increasing the appropriate proportion of dietary zinc and vitamin B6 intake is associated with a lower risk of CVD mortality. Furthermore, precise and representative studies are needed to verify our findings.
Orientia tsutsugamushi Infection in Wild Small Mammals in Western Yunnan Province, China
Authors: Luo Yun-Yan , Liu Si-Tong , He Qi-Nan , Hong Ru-Dan , Zhu Jun-Jie , Ai Zhi-Qiong , Yin Jia-Xiang
Published: January 2023

Small mammals can transmit and serve as a reservoir for Orientia tsutsugamushi (Ot) in nature by carrying infected mites. In Yunnan, one of China’s main foci of scrub typhus, etiological evidence and genetic diversity for Ot is limited. A total of 2538 small mammals were captured seasonally from 2015 to 2016 in the three counties of Yunnan, and the spleen or liver tissue was examined for Ot based on 56 kDa nPCR. The overall prevalence of Ot was 1.77%, ranging from 0.26 to 9.09% across different species. The Gilliam strain was found in 35.6% (16/45) of the wild small mammals, followed by the Karp 11.1% (5/45) and TA763 (1/45) strains, the last of which was discovered in western Yunnan for the first time. In Lianghe, Ot infection rates in wild small mammals were higher than in the other two counties. The infection rates of Eothenomys miletus with Ot were highest in the three dominant species. Ot infection rates in wild small mammals were higher in Lianghe (1200–1400 m) and Yulong (2800–3000 m). These findings could provide research clues for further confirmation of scrub typhus foci in western Yunnan or other similar natural environments.
Survey and Molecular Characterization of Echinococcus granulosus sensu stricto from Livestock and Humans in the Altai Region of Xinjiang, China
Authors: Guo Baoping , Zhao Li , Zhao Lu , Mi Rongsheng , Zhang Xu , Wang Bingjie , Guo Gang , Ren Yuan , Qi Wenjing , Zhang Zhuangzhi
Published: January 2023

Cystic echinococcosis (CE), caused by the metacestode Echinococcus granulosus sensu stricto (s.s.), is an important zoonotic parasite, endemic in the Altai region of China. It is a serious human health risk and causes livestock losses. To evaluate the prevalence, genetic variation, and population structure of CE, 2898 sheep and 703 cattle were examined from October 2019 to mid-February 2020 in the Altai region (Altai, Habahe, Fuhai, and Buerjin). Sheep had an infection rate of 4.52% (131/2898) and cattle had an infection rate of 4.84% (34/703). In total, 180 cyst isolates were obtained, including 131 sheep, 34 cattle, and 15 from CE human patients. The cysts were investigated using mitochondrial cytochrome C oxidase subunit 1 (cox1). Polymerase Chain Reaction (PCR) results showed that, among the two genotypes of E. granulosus s.s., there were 22 different haplotypes (Haps). Phylogenetic analysis and parsimony network indicated that seventeen (77.27%) Haps belonged to the sheep strain (G1 genotype) and five Haps (22.73%) belonged to the buffalo strain (G3 genotype). Hap3 was the most common haplotype (65.00%, 112/180), which belongs to the G1 genotype. Hap18–Hap22 were found in human samples, indicating that sheep and cattle reservoirs of human CE. Molecular diversity indices revealed the high levels of haplotype diversity and relatively low levels of nucleotide diversity. Tajima’s D and Fu’s Fs tests displayed that the Altai population had a significant deviation from neutrality. Based on pairwise fixation index (Fst) values, a low level of genetic differentiation was found between the populations of E. granulosus s.s. isolated from different regions. The present survey findings represent an epidemiological survey of CE in the Altai region where there were two genotypes simultaneously and will provide more information on the genetic structure of E. granulosus s.s. within this region.
Conformational Sampling Deciphers the Chameleonic Properties of a VHL-Based Degrader
Authors: Ermondi Giuseppe , Jimenez Diego Garcia , Rossi Sebastiano Matteo , Kihlberg Jan , Caron Giulia
Published: January 2023

Chameleonicity (the capacity of a molecule to adapt its conformations to the environment) may help to identify orally bioavailable drugs in the beyond-Rule-of-5 chemical space. Computational methods to predict the chameleonic behaviour of degraders have not yet been reported and the identification of molecular chameleons still relies on experimental evidence. Therefore, there is a need to tune predictions with experimental data. Here, we employ PROTAC-1 (a passively cell-permeable degrader), for which NMR and physicochemical data prove the chameleonic behaviour, to benchmark the capacity of two conformational sampling algorithms and selection schemes. To characterize the conformational ensembles in both polar and nonpolar environments, we compute three molecular properties proven to be essential for cell permeability: conformer shape (radius of gyration), polarity (3D PSA), and the number of intramolecular hydrogen bonds. Energetic criteria were also considered. Infographics monitored the simultaneous variation of those properties in computed and NMR conformers. Overall, we provide key points for tuning conformational sampling tools to reproduce PROTAC-1 chameleonicity according to NMR evidence. This study is expected to improve the design of PROTAC drugs and the development of computational sustainable strategies to exploit the potential of new modalities in drug discovery.
Cobalt Sulfide (Co9S8)-Based Materials with Different Dimensions: Properties, Preparation and Applications in Photo/Electric Catalysis and Energy Storage
Authors: Wang Chuantao , Pang Xiangxiang , Wang Guangqing , Gao Loujun , Fu Feng
Published: January 2023

Due to their excellent properties and unique structures, transition metal sulfides play an important role in the development of efficient and stable photoelectric catalysts. In recent years, their potential applications have expanded from photoelectric catalysis to energy storage, especially as materials for key components of electrochemical energy storage. As a typical multifunctional metal sulfide catalyst, Co9S8 is highly attractive due to its high conductivity, better stability, suitable band structure, enhanced performance and wide applications. A large number of studies have shown that strategically modified Co9S8-based materials have greater advantages in various applications compared with pure Co9S8. Therefore, this review will evaluate the physicochemical properties and the preparation of different dimensions of Co9S8-based materials, and the influence of different structures on the photoelectrochemical energy of materials will be described. In addition, the research progress regarding the evolution of hydrogen photocatalytic, electrocatalytic water splitting and various electrochemical energy storage materials will be emphasized. Finally, the challenges faced by Co9S8-based materials and the research directions for their future applications will be discussed.
Modification of Xyloglucan Metabolism during a Decrease in Cell Wall Extensibility in 1-Aminocyclopropane-1-Carboxylic Acid-Treated Azuki Bean Epicotyls
Authors: Yamaguchi Aya , Soga Kouichi , Wakabayashi Kazuyuki , Hoson Takayuki
Published: January 2023

The exogenous application of ethylene or 1-aminocyclopropane-1-carboxylic acid (ACC), the biosynthetic precursor for ethylene, to plants decreases the capacity of the cell wall to extend, thereby inhibiting stem elongation. In this study, the mechanism by which the extensibility of cell walls decreases in ACC-treated azuki bean epicotyls was studied. ACC decreased the total extensibility of cell walls, and such a decrease was due to the decrease in irreversible extensibility. ACC increased the molecular mass of xyloglucans but decreased the activity of xyloglucan-degrading enzymes. The expression of VaXTHS4, which only exhibits hydrolase activity toward xyloglucans, was downregulated by ACC treatment, whereas that of VaXTH1 or VaXTH2, which exhibits only transglucosylase activity toward xyloglucans, was not affected by ACC treatment. The suppression of xyloglucan-degrading activity by downregulating VaXTHS4 expression may be responsible for the increase in the molecular mass of xyloglucan. Our results suggest that the modification of xyloglucan metabolism is necessary to decrease cell wall extensibility, thereby inhibiting the elongation growth of epicotyls in ACC-treated azuki bean seedlings.
Molecular and Morphometric Update on Italian Salicornia (Chenopodiaceae), with a Focus on the Species S. procumbens s. l.
Authors: Sciuto Katia , Wolf Marion A. , Sfriso Adriano , Brancaleoni Lisa , Iberite Mauro , Iamonico Duilio
Published: January 2023

Salicornia is a highly taxonomically problematic genus due to the reduced morphological observable characters. Ten Eurasian species are currently recognized: S. alpini, S. europaea, S. fruticosa, S. hispanica, S. lagascae, S. perennans, S. perennis, S. persica, S. procumbens, and S. pruinosa. In addition, eleven subspecies are accepted, mainly based on their distribution areas. Along the Venetian coasts and in Sardinia, in the past, an endemic species called S. veneta was recognized, but this name was later synonymized with S. procumbens subsp. procumbens. The aim of the present research is investigating different Italian Salicornia populations by a molecular point of view, using the nuclear ribosomal external transcribed spacer ETS and the plastid psbA-trnH intergenic spacer. A particular focus is on the comparison between Venetian (including those occurring in locus classicus of S. veneta) and Sardinian S. procumbens and other Italian populations of this species. The molecular analyses based on the plastid marker highlight that the Italian S. procumbens populations form two well distinct groups. In particular, some of the Venetian (Locus classicus of S. veneta) and all the Sardinian specimens are genetically distinct (=plastid haplotype 1) from the other investigated populations (=plastid haplotype 2). This indicates that the psbA-trnH haplotype 1 glassworts represent a distinct entity, which we suppose to coincide with the former S. veneta. Therefore, we suggest to recognize this taxonomic entity at the subspecies rank, as S. procumbens subsp. veneta comb. and stat. nov. However, contrary to the results found with the plastid psbA-trnH intergenic spacer, the ETS locus does not show a separation into two distinct clades for S. procumbens, probably due to a different evolution of the two loci. Nevertheless, in the ETS phylogenetic reconstruction, the Sardinian specimens (=ribotypes 2 and 3) are placed, together with a Moroccan sample, in a subclade separated from all the other S. procumbens. These results suggest that the Sardinian populations can represent a subspecies/incipient speciation process, probably due to geographic isolation. In the light of this, morphometric analyses (k-means, MANOVA, PCA, DA, and Box-Plot) have been carried out on the Sardinian and Venetian populations to verify if this distinction is detectable also by a morphological point of view. The morphometric analyses highlight the existence of two groups, concerning both the nuclear and plastid trees. Six characters were found to be diagnostic.
Molecular Simulations of Low-Shrinkage Dental Resins Containing Methacryl-Based Polyhedral Oligomeric Silsesquioxane (POSS)
Authors: Madhuranthakam Chandra Mouli R. , Pandiyan Sudharsan , Elkamel Ali
Published: January 2023

Nanocomposites of methacrylate-based polyhedral oligomeric silsesquioxane (POSS) are used as resins in dentistry to fill dental cavities. In this article, molecular dynamics simulations (MDS) are used to study and understand the interactions of monofunctional and multifunctional methacrylate groups on hybrid resins containing POSS additives for dental applications. These interactions are further related to the structural properties of the nanocomposites, which in turn affect their macro-properties that are important, especially when used for specific uses such as dental resins. For monofunctional methacrylate, nanocomposite of methacryl isobutyl POSS (MIPOSS) and for multifunctional methacrylate, methacryl POSS (MAPOSS) are used in this study. Molecular dynamic simulations (MDS) are performed on both MIPOSS and MAPOSS systems by varying the amount of POSS. On a weight percent basis, 1%, 3%, 5%, and 10% POSS are added to the resin. Density calculations, stress–strain, and powder diffraction simulations are used to evaluate the macro-properties of these nanocomposites and compare them with the experimental findings reported in the literature. The observations from the simulation results when compared to the experimental results show that MDS can be efficiently used to design, analyze, and simulate new nanocomposites of POSS.
Trot Gait Stability Control of Small Quadruped Robot Based on MPC and ZMP Methods
Authors: Meng Xin , Liu Wenfei , Tang Leijie , Lu Zhongyi , Lin Hui , Fang Jiahui
Published: January 2023

The stability of a quadruped robot is mainly affected by the obstacles in the horizontal direction and the roughness in the vertical direction, which often leads to the robot unable to achieve the desired gait effect. In order to solve this problem, the Model Predictive Control (MPC) model and the Zero Moment Point (ZMP) method are combined, and applied to gait planning and the foot end landing control of a small quadruped robot. The tort gait of a small quadruped robot is the focus of research in this study, which simulated trajectory planning and gait stability. In addition, through comparative analysis with the corresponding experiments, the results show that the simulation results are similar to the experimental results, and the quadruped robot gait is stable. Meanwhile, it shows that the combination of the MPC model and ZMP method is feasible for gait stability control of a quadruped robot.
150USRT Class R-513A Refrigerant Two-Stage Centrifugal Compressor Design Point and Separation Point Flow Field Simulation Analysis
Authors: Hung Kuo-Shu , Hsiao Wei-Chung , Li Yi-Chen , Kuan Yean-Der
Published: January 2023

This study used computational fluid dynamics for low greenhouse effect refrigerant (R-513A) simulation analysis in the two-stage 150 USRT class oil-free centrifugal refrigerant compressor using integrated part load value (IPLV) and internal flow field. The compressor rotor speed and mass flow rate for the IPLV working conditions with various loads were planned using Stage 1 and Stage 2 simulations, respectively. The performance and flow field numerical simulation analyses for the two-stage centrifugal compressor is discussed. This study used Ansys-CFX software for numerical simulation analysis and the conservation form of a 3D steady-state Navier–Stokes equation set with the finite volume discretization method for computation. The computing mode produced better computing efficiency and flexible mesh setting using the k-omega (k-ω) model, which has better computational performance in the near wall boundary layer and low Reynolds number flow field (used as the turbulence model) for simulation. The R-513A refrigerant property setting was calculated using the Soave–Redlich–Kwong gas equation. This study discusses the shaft work, pressure ratio, and isentropic efficiency and also describes the main research findings with the meridional pressure, isentropic efficiency contour maps, and flow field velocity vector diagrams. According to the numerical simulation results, in Stage 1 and Stage 2 simulations, the isentropic efficiency produced the highest numerical results in the 75% load case, which are 88.19% and 89.06%, respectively. The isentropic efficiency decreased to 75.93% and 82.26%, respectively, in the 25% load case. The flow field velocity vector diagram shows that in the 25% load case, there was back-flow field distribution near the impeller shroud. The compressor performance was also analyzed.
Time-Optimal Trajectory Planning of Flexible Manipulator Moving along Multi-Constraint Continuous Path and Avoiding Obstacles
Authors: Xiao Quan , Xiang Guofei , Chen Yuanke , Zhu Yuqi , Dian Songyi
Published: January 2023

To solve the trajectory planning problem of the flexible manipulator under various constraints such as end-camera attitude, drive space, and obstacles during video inspection along a continuous path in narrow three-dimensional space, this paper proposes a time-optimal trajectory planning method from the initial configuration to the final configuration. The trajectory planning problem is transformed into a multi-constraint optimization problem. First, to realize continuous video inspection in an unstructured complex environment, by analyzing the geometric model of the two-segment flexible manipulator with a camera at the end, the pose constraints between the camera and the shooting surface are formulated by the space vector method, the driving constraints are formulated based on kinematics, and the obstacle constraints are formulated by space mapping. Then, a multi-constraint optimization model is constructed to generate the smooth trajectory of the drive cable of the flexible manipulator by minimizing the total time of continuous path motion. Compared with the conventional point-to-point collision avoidance planning solution method, this paper starts from the global perspective and investigates the less considered continuous path trajectory planning problem; also, the swarm intelligence algorithm artificial jellyfish search algorithm (JS) is employed to optimize the solution and find the minimum time trajectory conforming to a variety of complex constraints. Finally, a simulation is conducted with CoppeliaSim, and the continuous path video inspection experiment is carried out in the 500KV GIS (Gas Insulated Switchgear) equipment, the simulation and experimental results indicate that the planned drive cable trajectory is smooth and effective. In addition, each path point is tracked and obstacles are avoided safely. When the flexible manipulator moves along the whole path, the pose of the camera satisfies the relaxed attitude constrain The proposed method can guide the two-segment flexible manipulator to complete the continuous video inspection task of the GIS cavity wall and conductive column surface.
Effects of Soybean and Tempeh Water Extracts on Regulation of Intestinal Flora and Prevention of Colon Precancerous Lesions in Rats
Authors: Divate Nileema R. , Ardanareswari Katharina , Yu Yu-Ping , Chen Ya-Chen , Liao Jiunn-Wang , Chung Yun-Chin
Published: January 2023

Soybean bioactivity is significantly enhanced during tempeh fermentation. This study aimed to evaluate the efficacy of tempeh on colorectal cancer cells in vitro and colon precancerous lesions (aberrant crypt foci, ACF) in vivo. In the in vitro assay, tempeh water extract (WET) could inhibit the proliferation of Caco-2 cells. In the animal assay using 1,2-dimethylhydrazine (DMH)-induced Sprague–Dawley (SD) rats, 12-weeks daily feeding of tempeh could decrease the level of Clostridium perfringens in cecum contents and reduce the number of large (≥4 foci) ACF in the colon of treated rats, compared to the DMH control. By the results of TOF-MS and Edman degradation, the isolated antioxidant dipeptide, tripeptides, and tetrapeptides from WET might contain methionine, proline, and lysine. The bioactive peptides in tempeh might inhibit colon cancer by suppressing the growth of C. perfringens in the intestinal tract.