bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing the In Vitro Activity of Selected Porphyrins in Human Colorectal Cancer Cells
Authors: Frant Maciej Piotr , Trytek Mariusz , Paduch Roman
Published: March 2022

Standard in vitro analyses determining the activity of different compounds included in the chemotherapy of colon cancer are currently insufficient. New ideas, such as photodynamic therapy (PDT), may bring tangible benefits. The aim of this study was to show that the biological activity of selected free-base and manganese (III) metallated porphyrins differs in the limitation of colon cancer cell growth in vitro. White light irradiation was also hypothesized to initiate a photodynamic effect on tested porphyrins. Manganese porphyrin (>1 μM) significantly decreased the viability of the colon tumor and normal colon epithelial cells, both in light/lack of light conditions, while decreasing a free-base porphyrin after only 3 min of white light irradiation. Both porphyrins interacted with cytostatics in an antagonistic manner. The manganese porphyrin mainly induced apoptosis and necrosis in the tumor, and apoptosis in the normal cells, regardless of light exposure conditions. The free-base porphyrin conducted mainly apoptosis and autophagy. Normal and tumor cells released low levels of IL-1β and IL-10. Tumor cells released a low level of IL-6. Light conditions and porphyrins were influenced at the cytokine level. Tested manganese (III) metallated and free-base porphyrins differ in their activity against human colon cancer cells. The first showed no photodynamic, but a toxic activity, whereas the second expressed high photodynamic action. White light use may induce a photodynamic effect associated with porphyrins.
Multi-Elemental Analysis as a Tool to Ascertain the Safety and the Origin of Beehive Products: Development, Validation, and Application of an ICP-MS Method on Four Unifloral Honeys Produced in Sardinia, Italy
Authors: Mara Andrea , Deidda Sara , Caredda Marco , Ciulu Marco , Deroma Mario , Farinini Emanuele , Floris Ignazio , Langasco Ilaria , Leardi Riccardo , Pilo Maria I. , Spano Nadia , Sanna Gavino
Published: March 2022

Despite unifloral honeys from Sardinia, Italy, being appreciated worldwide for their peculiar organoleptic features, their elemental signature has only partly been investigated. Hence, the principal aim of this study was to measure the concentration of trace and toxic elements (i.e., Ag, As, Ba, Be, Bi, Cd, Co, Cr, Cu, Fe, Hg, Li, Mn, Mo, Ni, Pb, Sb, Sn, Sr, Te, Tl, V, and Zn) in four unifloral honeys produced in Sardinia. For this purpose, an original ICP-MS method was developed, fully validated, and applied on unifloral honeys from asphodel, eucalyptus, strawberry tree, and thistle. Particular attention was paid to the method’s development: factorial design was applied for the optimization of the acid microwave digestion, whereas the instrumental parameters were tuned to minimize the polyatomic interferences. Most of the analytes’ concentration ranged between the relevant LoDs and few mg kg−1, while toxic elements were present in negligible amounts. The elemental signatures of asphodel and thistle honeys were measured for the first time, whereas those of eucalyptus and strawberry tree honeys suggested a geographical differentiation if compared with the literature. Chemometric analysis allowed for the botanical discrimination of honeys through their elemental signature, whereas linear discriminant analysis provided an accuracy level of 87.1%.
Bioactivity-Guided Separation of Anti-Cholinesterase Alkaloids from Uncaria rhynchophlly (Miq.) Miq. Ex Havil Based on HSCCC Coupled with Molecular Docking
Authors: Yu Pengfei , Chen Zhenshan , Liu Yuecheng , Gu Zhengwei , Wang Xiaoming , Zhang Yaowen , Ma Yanni , Dong Meiyue , Tian Zhenhua
Published: March 2022

As an important source of cholinesterase inhibitors, alkaloids in natural products have high potential value in terms of exerting pharmacological activities. In this study, a strategy for targeted preparation of cholinesterase inhibitors in Uncaria rhynchophlly (Miq.) Miq. ex Havil (UR) by high-speed counter-current chromatography was provided. In the method, a two-phase polar solvent system composed of ethyl acetate/n-butanol/water (1:4:5, v/v/v) was used, which isolated five alkaloids from the UR extract for the first time. All alkaloids were identified by HR-ESI-MS and NMR as 7-epi-javaniside (1), vincosamide (2), strictosamide (3), cadambine (4), and 3α-dihydrocadambine (5). The poorly resolved compounds 2 and 3 were separated by preparative HPLC (prep-HPLC). Among them, compounds 1, 4, and 5 were firstly obtained from UR. The purity of these plant isolates was 98.8%, 98.7%, 99.2%, 95.7%, and 98.5%, respectively. Compounds 1–5 exhibited an inhibitory effect on acetyl-cholinesterase and butyryl-cholinesterase with an IC50 from 1.47 to 23.24 µg/mL and 1.01 to 18.24 µg/mL. Molecular docking and inhibitory activities indicated that compound 1 showed stronger inhibitory activity on acetyl-cholinesterase and butyryl-cholinesterase.
Rapid Detection of Different Types of Soil Nitrogen Using Near-Infrared Hyperspectral Imaging
Authors: Chen Zhuoyi , Ren Shijie , Qin Ruimiao , Nie Pengcheng
Published: March 2022

Rapid and accurate determination of soil nitrogen supply capacity by detecting nitrogen content plays an important role in guiding agricultural production activities. In this study, near-infrared hyperspectral imaging (NIR-HSI) combined with two spectral preprocessing algorithms, two characteristic wavelength selection algorithms and two machine learning algorithms were applied to determine the content of soil nitrogen. Two types of soils (laterite and loess, collected in 2020) and three types of nitrogen fertilizers, namely, ammonium bicarbonate (ammonium nitrogen, NH4-N), sodium nitrate (nitrate nitrogen, NO3-N) and urea (urea nitrogen, urea-N), were studied. The NIR characteristic peaks of three types of nitrogen were assigned and regression models were established. By comparing the model average performance indexes after 100 runs, the best model suitable for the detection of nitrogen in different types was obtained. For NH4-N, R2p = 0.92, RMSEP = 0.77% and RPD = 3.63; for NO3-N, R2p = 0.92, RMSEP = 0.74% and RPD = 4.17; for urea-N, R2p = 0.96, RMSEP = 0.57% and RPD = 5.24. It can therefore be concluded that HSI spectroscopy combined with multivariate models is suitable for the high-precision detection of various soil N in soils. This study provided a research basis for the development of precision agriculture in the future.
Effects of Intra-BLA Administration of PPAR Antagonists on Formalin-Evoked Nociceptive Behaviour, Fear-Conditioned Analgesia, and Conditioned Fear in the Presence or Absence of Nociceptive Tone in Rats
Authors: Gaspar Jessica C. , Okine Bright N. , Dinneen David , Roche Michelle , Finn David P.
Published: March 2022

There is evidence for the involvement of peroxisome proliferator-activated receptors (PPARs) in pain, cognition, and anxiety. However, their role in pain–fear interactions is unknown. The amygdala plays a key role in pain, conditioned fear, and fear-conditioned analgesia (FCA). We investigated the effects of intra-basolateral amygdala (BLA) administration of PPARα, PPARβ/δ, and PPARγ antagonists on nociceptive behaviour, FCA, and conditioned fear in the presence or absence of nociceptive tone. Male Sprague-Dawley (SD) rats received footshock (FC) or no footshock (NFC) in a conditioning arena. Twenty-three and a half hours later, rats received an intraplantar injection of formalin or saline and, 15 min later, intra-BLA microinjections of vehicle, PPARα (GW6471) PPARβ/δ (GSK0660), or PPARγ (GW9662) antagonists before arena re-exposure. Pain and fear-related behaviour were assessed, and neurotransmitters/endocannabinoids measured post-mortem. Intra-BLA administration of PPARα or PPARγ antagonists potentiated freezing in the presence of nociceptive tone. Blockade of all PPAR subtypes in the BLA increased freezing and BLA dopamine levels in NFC rats in the absence of nociceptive tone. Administration of intra-BLA PPARα and PPARγ antagonists increased levels of dopamine in the BLA compared with the vehicle-treated counterparts. In conclusion, PPARα and PPARγ in the BLA play a role in the expression or extinction of conditioned fear in the presence or absence of nociceptive tone.
Continuum Electronic States: The Tiresia Code
Authors: Decleva Piero , Stener Mauro , Toffoli Daniele
Published: March 2022

A multicenter (LCAO) B-spline basis is described in detail, and its capabilities concerning affording convergent solutions for electronic continuum states and wavepacket propagation are presented. It forms the core of the Tiresia code, which implements static-DFT and TDDFT hamiltonians, as well as single channel Dyson-DFT and Dyson-TDDFT descriptions to include correlation in the bound states. Together they afford accurate and computationally efficient descriptions of photoionization properties of complex systems, both in the single photon and strong field environments. A number of examples are provided.
Effect of High Hydrostatic Pressure in the Storage of Spanish-Style Table Olive Fermented with Olive Leaf Extract and Saccharomyces cerevisiae
Authors: Martín-Vertedor Daniel , Schaide Thais , Boselli Emanuele , Martínez Manuel , García-Parra Jesús , Pérez-Nevado Francisco
Published: March 2022

Olives treated according to the Spanish-style are firstly treated with caustic soda and then fermented in brine to reduce phenols. Next, olives are packed and subjected to pasteurization. The effect of different high hydrostatic pressure treatments (400 MPa, 4 and 6 min) was evaluated in Spanish-style table olives fermented with olive leaf extract (OLE) and S. cerevisiae compared with thermal pasteurization (P) at 80 °C for 15 min. HHP and P led to a significant reduction in yeast and aerobic mesophiles after the conservation treatment and during storage (300 days). The physical–chemical properties changed slightly during storage, except for olive hardness; olives treated with HHP presented a higher hardness than pasteurized ones. The CIELAB parameter L* decreased until day 300 in most of the treatments, as well as phenols. The HHP treatment led to significantly higher contents of phenolics (even during storage) than olives submitted to P. Some sensory attributes (colour, aspect, hardness, and overall evaluation) decreased during storage. P treatment caused a decrease in appearance, aroma, hardness, and overall evaluation compared to olives treated with HHP. Thus, the application of HHP in table olives to increase the shelf-life can be considered a valid alternative to P.
Preparation and Synthetic Applications of Five-to-Seven-Membered Cyclic α-Diazo Monocarbonyl Compounds
Authors: Zhukovsky Daniil , Dar’in Dmitry , Bakulina Olga , Krasavin Mikhail
Published: March 2022

The reactivity of cyclic α-diazo monocarbonyl compounds differs from that of their acyclic counterparts. In this review, we summarize the current literature available on the synthesis and synthetic applications of three major classes of cyclic α-diazo monocarbonyl compounds: α-diazo ketones, α-diazo lactones and α-diazo lactams.
HPLC-FLD-Based Method for the Detection of Sulfonamides in Organic Fertilizers Collected from Poland
Authors: Osiński Zbigniew , Patyra Ewelina , Kwiatek Krzysztof
Published: March 2022

Antibacterial substances such as sulfonamides are widely used in veterinary medicine to treat many bacterial diseases. After their administration to animals, up to 90% of the initial dose of the antibiotic is excreted in the feces and/or urine, which can be applied to farmland as natural or organic fertilizers. In this work, an analytical method was developed with the use of HPLC-FLD for the detection and quantification of five sulfonamides (sulfaguanidine, sulfadiazine, sulfamerazine, sulamethazine and sulfamethoxazol) in poultry and pig feces, slurry and digestates. The method was validated according to EU requirements (Commission Decision 2002/657/EC and VICH GL49). Linearity, decision limit, detection capability, detection and quantification limits, recovery, precision, and selectivity were determined, and adequate results were obtained. Using the HPLC-FLD method for all analyzed matrices, recoveries were satisfactory (77.00–121.16%), with repeatability and reproducibility in the range of 4.36–17.34% to 7.94–18.55%, respectively. Decision limit (CCα) and detection capability (CCβ) were 33.87–67.63 and 53.36–92.00 µg/kg, respectively, and limit of detection (LOD) and limit of quantification (LOQ) were 13.53–23.30 and 26.02–40.38 µg/kg, respectively, depending on the analyte. The forty-four samples of natural and organic fertilizers were analyzed, and four samples showed sulfamethoxazole in the amount from range 158 to 11,070 µg/kg. The application of antibiotics including sulfonamides for farming animals is widespread and may lead to the development of antibiotic resistance and other environmental effects.
Chemistry, Biosynthesis and Pharmacology of Sarsasapogenin: A Potential Natural Steroid Molecule for New Drug Design, Development and Therapy
Authors: Mustafa Nur Hanisah , Sekar Mahendran , Fuloria Shivkanya , Begum M. Yasmin , Gan Siew Hua , Rani Nur Najihah Izzati Mat , Ravi Subban , Chidambaram Kumarappan , Subramaniyan Vetriselvan , Sathasivam Kathiresan V. , Jeyabalan Srikanth , Uthirapathy Subasini , Ponnusankar Sivasankaran , Lum Pei Teng , Bhalla Vijay , Fuloria Neeraj Kumar
Published: March 2022

Sarsasapogenin is a natural steroidal sapogenin molecule obtained mainly from Anemarrhena asphodeloides Bunge. Among the various phytosteroids present, sarsasapogenin has emerged as a promising molecule due to the fact of its diverse pharmacological activities. In this review, the chemistry, biosynthesis and pharmacological potentials of sarsasapogenin are summarised. Between 1996 and the present, the relevant literature regarding sarsasapogenin was obtained from scientific databases including PubMed, ScienceDirect, Scopus, and Google Scholar. Overall, sarsasapogenin is a potent molecule with anti-inflammatory, anticancer, antidiabetic, anti-osteoclastogenic and neuroprotective activities. It is also a potential molecule in the treatment for precocious puberty. This review also discusses the metabolism, pharmacokinetics and possible structural modifications as well as obstacles and opportunities for sarsasapogenin to become a drug molecule in the near future. More comprehensive preclinical studies, clinical trials, drug delivery, formulations of effective doses in pharmacokinetics studies, evaluation of adverse effects and potential synergistic effects with other drugs need to be thoroughly investigated to make sarsasapogenin a potential molecule for future drug development.
Electrochemical Analysis of Sulfisoxazole Using Glassy Carbon Electrode (GCE) and MWCNTs/Rare Earth Oxide (CeO2 and Yb2O3) Modified-GCE Sensors
Authors: El-Azazy Marwa , Ahsan Insharah , Bensalah Nasr
Published: March 2022

In this work, new electrochemical sensors based on the modification of glassy carbon electrode (GCE) with multiwalled carbon nanotubes (MWCNTs)—rare metal oxides (REMO) nanocomposites were fabricated by drop-to-drop method of MWCNTs-REMO dispersion in ethanol. REMO nanoparticles were synthesized by precipitation followed by hydrothermal treatment at 180 °C in absence and presence of TritonTM X-100 surfactant. Cyclic voltammetry (CV) analysis using MWCNTs-CeO2@GCE and MWCNTs-Yb2O3@GCE sensors were used for the analysis of sulfisoxazole (SFX) drug in water samples. The results of CV analysis showed that MWCNTs-REMO@GCE sensors have up to 40-fold higher sensitivity with CeO2 compared to the bare GCE sensor. The estimated values of the limit of detection (LoD) of this electrochemical sensing using MWCNTs-CeO2@GCE and MWCNTs-Yb2O3@GCE electrodes reached 0.4 and 0.7 μM SFX in phosphate buffer pH = 7, respectively. These findings indicate that MWCNTs-REMO@GCE electrodes are potential sensors for analysis of sulfonamide drugs in water and biological samples.
Automated Synthesis of 68Ga-Labeled DOTA-MGS8 and Preclinical Characterization of Cholecystokinin-2 Receptor Targeting
Authors: Hörmann Anton Amadeus , Plhak Elisabeth , Klingler Maximilian , Rangger Christine , Pfister Joachim , Schwach Gert , Kvaternik Herbert , von Guggenberg Elisabeth
Published: March 2022

The new minigastrin analog DOTA-MGS8 targeting the cholecystokinin-2 receptor (CCK2R) used in this study displays the combination of two site-specific modifications within the C-terminal receptor binding sequence together with an additional N-terminal amino acid substitution preventing fast metabolic degradation. Within this study, the preparation of 68Ga-labeled DOTA-MGS8 was validated using an automated synthesis module, describing the specifications and analytical methods for quality control for possible clinical use. In addition, preclinical studies were carried out to characterize the targeting potential. [68Ga]Ga-DOTA-MGS8 showed a high receptor-specific cell internalization into AR42J rat pancreatic cells (~40%) with physiological expression of rat CCK2R as well as A431-CCK2R cells transfected to stably express human CCK2R (~47%). A favorable biodistribution profile was observed in BALB/c nude mice xenografted with A431-CCK2R cells and mock-transfected A431 cells as control. The high tumor uptake of ~27% IA/g together with low background activity and limited uptake in non-target tissue confirms the potential for high-sensitivity positron emission tomography of stabilized MG analogs in patients with MTC and other CCK2R-related malignancies.
Short Video Viewing, and Not Sedentary Time, Is Associated with Overweightness/Obesity among Chinese Women
Authors: Chen Ke , He Qiang , Pan Yang , Kumagai Shuzo , Chen Si , Zhang Xianliang
Published: March 2022

Previous studies have found that the relationship between sedentary time (ST) and overweightness/obesity is unclear. The association between sedentary behavior and overweightness/obesity may depend on the type of sedentary behavior engaged in. Nowadays, in older Chinese adults, especially females, short video viewing (SVV) is the most popular leisure sedentary behavior. However, the association between SVV and overweightness/obesity remains to be determined. This study aimed to examine the associations between ST and SVV and overweightness/obesity in Chinese community-dwelling older women. A cross-sectional analysis of baseline data from the Physical Activity and Health in Older Women Study was carried out in this study. A total of 1105 older Chinese women aged 60–70 years were included. SVV was estimated using a self-reported questionnaire, and ST was objectively measured using a tri-axial accelerometer. Overweightness/obesity indicators, including body fat ratio (BFR), fat mass (FM), visceral fat mass (VFM), subcutaneous fat mass (SFM), trunk fat mass (TFM), and limb fat mass (LFM), were assessed using multi-frequency bioimpedance analysis. The covariates included socio-demographic data and a range of health-related factors. Multiple linear regression analyses were used to assess the association between ST and SVV and overweightness/obesity. ST was significantly positively associated with all indicators of overweightness/obesity; however, the associations disappeared after adjusting for moderate-to-vigorous-intensity physical activity (MVPA). A higher SVV time was associated with a higher body mass index (BMI) (β = 0.19, 95% confidence interval (CI): 0.05 to 0.32), BFR (β = 0.31, 95% CI: 0.07 to 0.56), FM (β = 0.33, 95% CI: 0.04 to 0.61), VFM (β = 0.09, 95% CI: 0.01 to 0.16), SFM (β = 0.24, 95% CI: 0.03 to 0.45), TFM (β = 0.21, 95% CI: 0.04 to 0.39), and LFM (β = 0.11, 95% CI: 0.00 to 0.23) in the fully adjusted models. Compared with non-food short videos, short food videos had a greater effect on overweightness/obesity. SVV was an independent risk factor for overweightness/obesity. A reduction in SVV (especially the food category) rather than ST might be an effective way to prevent overweightness/obesity when incorporated in future public health policy formulations.
Malnutrition Increases Hospital Length of Stay and Mortality among Adult Inpatients with COVID-19
Authors: Vong Tyrus , Yanek Lisa R. , Wang Lin , Yu Huimin , Fan Christopher , Zhou Elinor , Oh Sun Jung , Szvarca Daniel , Kim Ahyoung , Potter James J. , Mullin Gerard E.
Published: March 2022

Background: Malnutrition has been linked to adverse health economic outcomes. There is a paucity of data on malnutrition in patients admitted with COVID-19. Methods: This is a retrospective cohort study consisting of 4311 COVID-19 adult (18 years and older) inpatients at 5 Johns Hopkins-affiliated hospitals between 1 March and 3 December 2020. Malnourishment was identified using the malnutrition universal screening tool (MUST), then confirmed by registered dietitians. Statistics were conducted with SAS v9.4 (Cary, NC, USA) software to examine the effect of malnutrition on mortality and hospital length of stay among COVID-19 inpatient encounters, while accounting for possible covariates in regression analysis predicting mortality or the log-transformed length of stay. Results: COVID-19 patients who were older, male, or had lower BMIs had a higher likelihood of mortality. Patients with malnutrition were 76% more likely to have mortality (p < 0.001) and to have a 105% longer hospital length of stay (p < 0.001). Overall, 12.9% (555/4311) of adult COVID-19 patients were diagnosed with malnutrition and were associated with an 87.9% increase in hospital length of stay (p < 0.001). Conclusions: In a cohort of COVID-19 adult inpatients, malnutrition was associated with a higher likelihood of mortality and increased hospital length of stay.
Mechanisms of Feedback Regulation of Vitamin A Metabolism
Authors: O’Connor Catherine , Varshosaz Parisa , Moise Alexander R.
Published: March 2022

Vitamin A is an essential nutrient required throughout life. Through its various metabolites, vitamin A sustains fetal development, immunity, vision, and the maintenance, regulation, and repair of adult tissues. Abnormal tissue levels of the vitamin A metabolite, retinoic acid, can result in detrimental effects which can include congenital defects, immune deficiencies, proliferative defects, and toxicity. For this reason, intricate feedback mechanisms have evolved to allow tissues to generate appropriate levels of active retinoid metabolites despite variations in the level and format, or in the absorption and conversion efficiency of dietary vitamin A precursors. Here, we review basic mechanisms that govern vitamin A signaling and metabolism, and we focus on retinoic acid-controlled feedback mechanisms that contribute to vitamin A homeostasis. Several approaches to investigate mechanistic details of the vitamin A homeostatic regulation using genomic, gene editing, and chromatin capture technologies are also discussed.
Pentoxifylline in the Treatment of Cutaneous Leishmaniasis: A Randomized Clinical Trial in Colombia
Authors: Castro Maria del Mar , Cossio Alexandra , Navas Adriana , Fernandez Olga , Valderrama Liliana , Cuervo-Pardo Lyda , Marquez-Oñate Ricardo , Gómez María Adelaida , Saravia Nancy Gore
Published: March 2022

Addition of the immunomodulator pentoxifylline (PTX) to antimonial treatment of mucosal leishmaniasis has shown increased efficacy. This randomized, double-blind, placebo-controlled trial evaluated whether addition of pentoxifylline to meglumine antimoniate (MA) treatment improves therapeutic response in cutaneous leishmaniasis (CL) patients. Seventy-three patients aged 18–65 years, having multiple lesions or a single lesion ≥ 3 cm were randomized to receive: intramuscular MA (20 mg/kg/day × 20 days) plus oral PTX 400 mg thrice daily (intervention arm, n = 36) or MA plus placebo (control arm, n = 37), between 2012 and 2015. Inflammatory gene expression was evaluated by RT-qPCR in peripheral blood mononuclear cells from trial patients, before and after treatment. Intention-to-treat failure rate was 35% for intervention vs. 25% for control (OR: 0.61, 95% CI: 0.21–1.71). Per-protocol failure rate was 32% for PTX, and 24% for placebo (OR: 0.50, 95% CI: 0.13–1.97). No differences in frequency or severity of adverse events were found (PTX = 142 vs. placebo = 140). Expression of inflammatory mediators was unaltered by addition of PTX to MA. However, therapeutic failure was associated with significant overexpression of il1β and ptgs2 (p < 0.05), irrespective of study group. No clinical benefit of addition of PTX to standard treatment was detected in early mild to moderate CL caused by Leishmania (V.) panamensis.
High Fecal Carriage of Multidrug Resistant Bacteria in the Community among Children in Northwestern Tanzania
Authors: Msanga Delfina R. , Silago Vitus , Massoza Tulla , Kidenya Benson R. , Balandya Emmanuel , Mirambo Mariam M. , Sunguya Bruno , Mmbaga Blandina Theophil , Lyamuya Eligius , Bartlet John , Mshana Stephen E.
Published: March 2022

Colonization of multidrug resistant (MDR) bacteria is associated with subsequent invasive infections in children with comorbidities. This study aimed to determine the resistance profile and factors associated with MDR pathogen colonization among HIV−and HIV+ children below five years of age in Mwanza, Tanzania. A total of 399 (HIV− 255 and HIV+ 144) children were enrolled and investigated for the presence of MDR bacteria. The median [IQR] age of children was 19 (10–36) months. Out of 27 Staphylococcus aureus colonizing the nasal cavity, 16 (59.5%) were methicillin resistant while 132/278 (47.2%) of Enterobacteriaceae from rectal swabs were resistant to third generation cephalosporins, with 69.7% (92/132) exhibiting extended spectrum beta lactamase (ESBL) phenotypes. The proportion of resistance to gentamicin, amoxicillin/clavulanic acid and meropenem were significantly higher among HIV+ than HIV− children. A history of antibiotic use in the last month OR 2.62 [1.1, 6.9] (p = 0.04) and history of a relative admitted from the same household in the past three months OR 3.73 [1.1, 13.2] (p = 0.03) independently predicted ESBL rectal colonization. HIV+ children had significantly more fecal carriage of isolates resistant to uncommonly used antibiotics. There is a need to strengthen antimicrobial stewardship and Infection Prevention and Control (IPC) programs to prevent the emergence and spread of MDR pathogens in children.
Prevalence of Licit and Illicit Drugs Use during Pregnancy in Mexican Women
Authors: Gómez-Ruiz Larissa-María , Marchei Emilia , Rotolo Maria Concetta , Brunetti Pietro , Mannocchi Giulio , Acosta-López Aracely , Ramos-Gutiérrez Ruth-Yesica , Varela-Busaka Mary-Buhya , Pichini Simona , Garcia-Algar Oscar
Published: March 2022

For the first time, the present study employed hair testing to investigate the prevalence of classical drugs of abuse and new psychoactive substances use during gestation in a cohort of 300 Mexican pregnant women. An interview was conducted to collect data on sociodemographic aspects of the patients, and a 9 cm-long hair strand was taken from the back of the head of each mother one month after delivery. A validated ultra-high-performance liquid chromatography–high-resolution mass spectrometry method was used for the screening of classic drugs, new psychoactive substances, and medications in maternal hair. Out of 300 examined hair samples from pregnant women, 127 (42.3%) resulted positive for psychoactive substances: 45 (35.4%) for cannabis only, 24 (18.9%) for methamphetamine only, 13 (10.2%) for cocaine only, 1 (0.3%) for heroin, 1 for N-N-dimethyltryptamine (0.3%), 1 for ketamine (0.8%), and 35 (16.3%) for more than one psychoactive substance. Furthermore, seven samples (2.3%) resulted positive for new psychoactive substances (NPS): two samples for synthetic cannabinoids, two for synthetic cathinones, and three for nor-fentanyl, and 3.3% of women hair resulted positive for anticonvulsant, antidepressant, and antipsychotic medications. Finally, 83 women hair samples (27.7%) tested positive for nicotine. Nonsteroidal anti-inflammatory drugs (NSAIDs) and other painkillers (60.0%), medications for the treatment of nausea and vomiting (12.3%), antihistamines (8.7%) and nasal/sinus decongestants (6.7%), cough suppressants (5.0%), and bronchodilator agents (5.0%) were also detected in pregnant women hair. The gestational use of psychoactive substances and exposure to tobacco smoke, assessed by hair testing, were associated with a significantly younger age and with a low education grade of the mothers (p < 0.005). This study provides a significant preliminary indication of the under-reported gestational consumption of licit and illicit psychoactive and pharmacologically active drugs in a Mexican environment, showing the value of toxicological and forensic analyses in the global effort to determine the health risks caused by classic drugs and new psychoactive substances during pregnancy.
Recommendations to Synthetize Old and New β-Lactamases Inhibitors: A Review to Encourage Further Production
Authors: Alfei Silvana , Zuccari Guendalina
Published: March 2022

The increasing emergence of bacteria producing β-lactamases enzymes (BLEs), able to inactivate the available β-lactam antibiotics (BLAs), causing the hydrolytic opening of their β-lactam ring, is one of the global major warnings. According to Ambler classification, BLEs are grouped in serine-BLEs (SBLEs) of class A, C, and D, and metal-BLEs (MBLEs) of class B. A current strategy to restore no longer functioning BLAs consists of associating them to β-lactamase enzymes inhibitors (BLEsIs), which, interacting with BLEs, prevent them hydrolyzing to the associated antibiotic. Worryingly, the inhibitors that are clinically approved are very few and inhibit only most of class A and C SBLEs, leaving several class D and all MBLEs of class B untouched. Numerous non-clinically approved new molecules are in development, which have shown broad and ultra-broad spectrum of action, some of them also being active on the New Delhi metal-β-lactamase-1 (NDM-1), which can hydrolyze all available BLAs except for aztreonam. To not duplicate the existing review concerning this topic, we have herein examined BLEsIs by a chemistry approach. To this end, we have reviewed both the long-established synthesis adopted to prepare the old BLEsIs, those proposed to achieve the BLEsIs that are newly approved, and those recently reported to prepare the most relevant molecules yet in development, which have shown high potency, providing for each synthesis the related reaction scheme.
Study of Viral Photoinactivation by UV-C Light and Photosensitizer Using a Pseudotyped Model
Authors: Sadraeian Mohammad , Junior Fabio Francisco Pinto , Miranda Marcela , Galinskas Juliana , Fernandes Rafaela Sachetto , da Cruz Edgar Ferreira , Fu Libing , Zhang Le , Diaz Ricardo Sobhie , Cabral-Miranda Gustavo , Guimarães Francisco Eduardo Gontijo
Published: March 2022

Different light-based strategies have been investigated to inactivate viruses. Herein, we developed an HIV-based pseudotyped model of SARS-CoV-2 (SC2) to study the mechanisms of virus inactivation by using two different strategies; photoinactivation (PI) by UV-C light and photodynamic inactivation (PDI) by Photodithazine photosensitizer (PDZ). We used two pseudoviral particles harboring the Luciferase-IRES-ZsGreen reporter gene with either a SC2 spike on the membrane or without a spike as a naked control pseudovirus. The mechanism of viral inactivation by UV-C and PDZ-based PDI were studied via biochemical characterizations and quantitative PCR on four levels; free-cell viral damage; viral cell entry; DNA integration; and expression of reporter genes. Both UV-C and PDZ treatments could destroy single stranded RNA (ssRNA) and the spike protein of the virus, with different ratios. However, the virus was still capable of binding and entering into the HEK 293T cells expressing angiotensin-converting enzyme 2 (ACE-2). A dose-dependent manner of UV-C irradiation mostly damages the ssRNA, while PDZ-based PDI mostly destroys the spike and viral membrane in concentration and dose-dependent manners. We observed that the cells infected by the virus and treated with either UV-C or PDZ-based PDI could not express the luciferase reporter gene, signifying the viral inactivation, despite the presence of RNA and DNA intact genes.
Dapsone Azo-Linked with Two Mesalazine Moieties Is a “Me-Better” Alternative to Sulfasalazine
Authors: Kang Changyu , Kim Jaejeong , Ju Sanghyun , Park Sohee , Yoo Jin-Wook , Yoon In-Soo , Kim Min-Soo , Jung Yunjin
Published: March 2022

Dapsone (DpS) is an antimicrobial and antiprotozoal agent, especially used to treat leprosy. The drug shares a similar mode of action with sulfonamides. Additionally, it possesses anti-inflammatory activity, useful for treating autoimmune diseases. Here, we developed a “me-better” alternative to sulfasalazine (SSZ), a colon-specific prodrug of mesalazine (5-ASA) used as an anti-inflammatory bowel diseases drug; DpS azo-linked with two molecules of 5-ASA (AS-DpS-AS) was designed and synthesized, and its colon specificity and anti-colitic activity were evaluated. AS-DpS-AS was converted to DpS and the two molecules of 5-ASA (up to approximately 87% conversion) within 24 h after incubation in the cecal contents. Compared to SSZ, AS-DpS-AS showed greater efficiency in colonic drug delivery following oral gavage. Simultaneously, AS-DpS-AS substantially limited the systemic absorption of DpS. In a dinitrobenzene sulfonic acid-induced rat colitis model, oral AS-DpS-AS elicited better efficacy against rat colitis than oral SSZ. Moreover, intracolonic treatment with DpS and/or 5-ASA clearly showed that combined treatment with DpS and 5-ASA was more effective against rat colitis than the single treatment with either DpS or 5-ASA. These results suggest that AS-DpS-AS may be a “me-better” drug of SSZ with higher therapeutic efficacy, owing to the combined anti-colitic effects of 5-ASA and DpS.
Cyclodextrin-Based Nanosponges as Perse Antimicrobial Agents Increase the Activity of Natural Antimicrobial Peptide Nisin
Authors: Khazaei Monfared Yousef , Mahmoudian Mohammad , Hoti Gjylije , Caldera Fabrizio , López Nicolás José Manuel , Zakeri-Milani Parvin , Matencio Adrián , Trotta Francesco
Published: March 2022

At present, antibiotic resistance is considered a real problem. Therefore, for decades scientists have been looking for novel strategies to treat bacterial infections. Nisin Z, an antimicrobial peptide (AMP), can be considered an option, but its usage is mainly limited by the poor stability and short duration of its antimicrobial activity. In this context, cyclodextrin (CD)-based nanosponges (NSs), synthesized using carbonyldiimidazole (CDI) and pyromellitic dianhydride (PMDA), were chosen for nisin Z loading. To determine the minimum inhibitory of nisin Z loaded on CD-NS formulations, agar well diffusion plates were used. Then, the bactericide concentrations of nisin Z loaded on CD-NS formulations were determined against Gram-positive (Staphylococcus aureus) and -negative (Escherichia coli) bacteria, using microdilution brain heart infusion (BHI) and tetrazolium salt 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT). The minimum and bactericide inhibitory values of the nisin complex with NSs were potentially decreased against both bacteria, compared with the nisin-free sample, while the nisin complex with β-CD showed lower antibacterial activity. The antimicrobial effect was also demonstrated by free NSs. Furthermore, the total viable counts (TVCs) antibacterial experiment indicated that the combination of nisin Z in both PMDA and CDI β-CD-based NSs, especially CDI, can provide a better conservative effect on cooked chicken meat. Generally, the present study outcomes suggest that the cross-linked β-CD-based NSs can present their own antimicrobial potency or serve as promising carriers to deliver and enhance the antibacterial action of nisin Z.
Adaptive Detection of Wave Aberrations Based on the Multichannel Filter
Authors: Khorin Pavel A. , Porfirev Alexey P. , Khonina Svetlana N.
Published: March 2022

An adaptive method for determining the type and magnitude of aberration in a wide range is proposed on the basis of an optical processing of the analyzed wavefront using a multichannel filter matched to the adjustable Zernike phase functions. The approach is based on an adaptive (or step-by-step) compensation of wavefront aberrations based on a dynamically tunable multichannel filter implemented on a spatial light modulator. For adaptive filter adjustment, a set of criteria is proposed that takes into account not only the magnitude of the correlation peak, but also the maximum intensity, compactness, and orientation of the distribution in each diffraction order. The experimental results have shown the efficiency of the proposed approach for detecting wavefront aberrations in a wide range (from 0.1λ to λ).
A Case Study in Saudi Arabia: Biodiversity of Maize Seed-Borne Pathogenic Fungi in Relation to Biochemical, Physiological, and Molecular Characteristics
Authors: Al-Askar Abdulaziz A. , Ghoneem Khalid M. , Hafez Elsayed E. , Saber WesamEldin I. A.
Published: March 2022

Microbiodiversity is usually correlated with environmental conditions. This investigation is a case study to cover the lack of knowledge on the correlation of biochemical, physiological, and molecular attributes with the distribution of seed-borne pathogenic fungi of maize under the environmental conditions of the Kingdom of Saudi Arabia to help forecast any destructive epidemics. Forty-one fungal species belonging to 24 genera were detected using standard moist blotter (SMB), deep freezing blotter (DFB), and agar plate (AP) techniques. SMB was superior in detecting the maximum numbers (36 species) of seed-borne mycoflora. The pathogenicity assay revealed that, among 18 seed-borne fungal pathogens used, 12 isolates caused high percentages of rotted seeds and seedling mortality symptoms, which were identified molecularly using an internal transcribed spacer sequence. Two Curvularia spp. and Sarocladium zeae were reported for the first time in KSA. The strains showed various enzymatic activities and amino acid profiles under different environmental setups. Temperature and humidity were the environmental variables influencing the fungal pathogenicity. The highest pathogenicity was correlated with the presence and concentration of threonine, alanine, glutamic, aspartic acids, and protein. The study concluded with the discovery of four new phytopathogens in KSA and, further, evidenced a marked correlation among the investigated variables. Nevertheless, more studies are encouraged to include additional physiological properties of the phytopathogens, such as toxigenic activity, as well as extend the fungal biodiversity study to other plants.
Quality Control, Anti-Hyperglycemic, and Anti-Inflammatory Assessment of Colvillea racemosa Leaves Using In Vitro, In Vivo Investigations and Its Correlation with the Phytoconstituents Identified via LC-QTOF-MS and MS/MS
Authors: Abd El Hafeez Mohamed S. , El Gindi Omayma , Hetta Mona H. , Aly Hanan F. , Ahmed Safwat A.
Published: March 2022

Colvillea racemosa is a cultivated ornamental plant that is a monotypic genus of Fabaceae. It is native to Madagascar, with limited studies. For the first time, the leaf quality control parameters, the anti-hyperglycemic and anti-inflammatory in vitro activity of Colvillea racemosa ethanol extract (CRE) and its fractions of petroleum ether (CRP), methylene chloride (CRMC), ethyl acetate (CREA), n-butanol (CRB), and methanol (CRME) were evaluated. It exhibited significant inhibition against α-amylase, α-glucosidase and membrane stabilization. CRB was the most active fraction, and in vivo studies revealed that oral treatment with CRB of STZ-induced diabetic rats efficiently lowered blood glucose by 67.78%, reduced serum nitric oxide and lipid peroxide levels by 41.23% and 38.45%, respectively, and increased the GSH level by 90.48%. In addition, compared with the diabetic group, there was a 52.2% decrease in serum VCAM, a 55.5% increase in paraoxonase, an improved lipid profile, and improved liver and kidney functions for a treated diabetic group with CRB. Metabolite profiling of CRB was determined by UPLC-ESI-QTOF-MS and tandem MS/MS. Twenty-three chromatographic peaks were identified, which were classified into phenolic compounds and amino acids. The characterized flavonoids were apigenin and luteolin derivatives.
Enduring Effect of Antibiotic Timentin Treatment on Tobacco In Vitro Shoot Growth and Microbiome Diversity
Authors: Tamošiūnė Inga , Andriūnaitė Elena , Vinskienė Jurgita , Stanys Vidmantas , Rugienius Rytis , Baniulis Danas
Published: March 2022

Plant in vitro cultures initiated from surface-sterilized explants often harbor complex microbial communities. Antibiotics are commonly used to decontaminate plant tissue culture or during genetic transformation; however, the effect of antibiotic treatment on the diversity of indigenous microbial populations and the consequences on the performance of tissue culture is not completely understood. Therefore, the aim of this study was to assess the effect of antibiotic treatment on the growth and stress level of tobacco (Nicotiana tabacum L.) shoots in vitro as well as the composition of the plant-associated microbiome. The study revealed that shoot cultivation on a medium supplemented with 250 mg L−1 timentin resulted in 29 ± 4% reduced biomass accumulation and a 1.2–1.6-fold higher level of oxidative stress injury compared to the control samples. Moreover, the growth properties of shoots were only partially restored after transfer to a medium without the antibiotic. Microbiome analysis of the shoot samples using multivariable region-based 16S rRNA gene sequencing revealed a diverse microbial community in the control tobacco shoots, including 59 bacterial families; however, it was largely dominated by Mycobacteriaceae. Antibiotic treatment resulted in a decline in microbial diversity (the number of families was reduced 4.5-fold) and increased domination by the Mycobacteriaceae family. These results imply that the diversity of the plant-associated microbiome might represent a significant factor contributing to the efficient propagation of in vitro tissue culture.
Polylactide-Grafted Metal-Alginate Aerogels
Authors: Raptopoulos Grigorios , Choinopoulos Ioannis , Kontoes-Georgoudakis Filippos , Paraskevopoulou Patrina
Published: March 2022

Τhis work describes the synthesis of PLA-grafted M-alginate (g-M-alginate; M: Ca2+, Co2+, Ni2+, Cu2+) aerogels. DL-lactide (LA) was attached on the surface of preformed M-alginate beads and was polymerized, using stannous octoate as catalyst and the –OH groups of the alginate backbone as initiators/points of attachment. The material properties of g-M-alginate aerogels were not affected much by grafting, because the linear PLA chains grew on the M-alginate framework like a brush and did not bridge their points of attachment as in polyurea-crosslinked M-alginate aerogels. Thus, all g-M-alginate aerogels retained the fibrous morphology of their parent M-alginate aerogels, and they were lightweight (bulk densities up to 0.24 g cm−3), macroporous/mesoporous materials with high porosities (up to 96% v/v). The BET surface areas were in the range of 154–542 m2 g−1, depending on the metal, the nature of the alginate framework and the PLA content. The latter was found at about 15% w/w for Ca- and Ni-based materials and at about 29% w/w for Co- and Cu-based materials. Overall, we have demonstrated a new methodology for the functionalization of alginate aerogels that opens the way to the synthesis of polylactide-crosslinked alginate aerogels with the use of multifunctional monomers.
New Advanced Liquid Crystalline Materials Bearing Bis-Azomethine as Central Spacer
Authors: Alamro Fowzia S. , Ahmed Hoda A. , Bedowr Noha S. , Khushaim Muna S. , El-atawy Mohamed A.
Published: March 2022

In this study, a homologous series of novel liquid crystalline compounds bearing the bis-azomethine central linkage (–CH=N-N=CH–), namely ((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis(4,1-phenylene) dialkanoate (In), was synthesized, and the mesophase and thermal properties were investigated theoretically and experimentally. The molecular structures of the prepared compounds were determined using elemental analysis, NMR, and FT-IR spectroscopy. The mesophase transitions were detected by differential scanning calorimetry (DSC), and the mesophases were identified using polarized optical microscopy (POM). The results indicated that the derivative with the shortest length (I5) was purely nematogenic, while the other homologues (I9 and I15) possessed SmC mesophases. The optimal geometrical structures of the investigated group were derived theoretically. The estimated results demonstrated that all homologues were mesomorphic, and their type depended on the length of the terminal chains. Computations based on density functional theory (DFT) were used to explain the experimental data. The calculated dipole moment, polarizability, thermal energy, and molecular electrostatic potential all showed that it was possible to predict the mesophase type and stability, which varied according to the size of the molecule.
Infrared Linear Dichroism for the Analysis of Molecular Orientation in Polymers and in Polymer Composites
Authors: Bokobza Liliane
Published: March 2022

The mechanical properties of polymeric materials are strongly affected by molecular orientation occurring under processing conditions. Infrared dichroism is particularly well suited for characterizing polymer chain orientation at a molecular level. The usefulness of this technique has been demonstrated through various applications in homopolymers, semi-crystalline polymers, copolymers, polymer blends, as well as in polymer composites. Determination of molecular orientation can be carried out in the mid- and near-infrared ranges and very small dichroic effects can be detected with the use of a photoelastic modulator. Chain orientation in polymer composites is seen to increase with the filler content in the case of a strong interface between the two phases, making possible a quantification of the degree of bonding between the host polymeric matrix and the incorporated inclusions.
Milk Whey Hydrolysates as High Value-Added Natural Polymers: Functional Properties and Applications
Authors: León-López Arely , Pérez-Marroquín Xóchitl Alejandra , Estrada-Fernández Ana Guadalupe , Campos-Lozada Gieraldin , Morales-Peñaloza Alejandro , Campos-Montiel Rafael G. , Aguirre-Álvarez Gabriel
Published: March 2022

There are two types of milk whey obtained from cheese manufacture: sweet and acid. It retains around 55% of the nutrients of the milk. Milk whey is considered as a waste, creating a critical pollution problem, because 9 L of whey are produced from every 10 L of milk. Some treatments such as hydrolysis by chemical, fermentation process, enzymatic action, and green technologies (ultrasound and thermal treatment) are successful in obtaining peptides from protein whey. Milk whey peptides possess excellent functional properties such as antihypertensive, antiviral, anticancer, immunity, and antioxidant, with benefits in the cardiovascular, digestive, endocrine, immune, and nervous system. This review presents an update of the applications of milk whey hydrolysates as a high value-added peptide based on their functional properties.