bluuebunny/crossref_metadata_2025 huggingface dataset:
Particle Focusing in a Straight Microchannel with Non-Rectangular Cross-Section
Authors: Kim Uihwan , Kwon Joo-Yong , Kim Taehoon , Cho Younghak
Published: January 2022

Recently, studies on particle behavior under Newtonian and non-Newtonian fluids in microchannel have attracted considerable attention because particles and cells of interest can be manipulated and separated from biological samples without any external force. In this paper, two kinds of microchannels with non-rectangular cross-section were fabricated using basic MEMS processes (photolithography, reactive ion etching and anisotropy wet etching), plasma bonding and self-alignment between two PDMS structures. They were used to achieve the experiments for inertial and elasto-inertial particle focusing under Newtonian and non-Newtonian fluids. The particle behavior was compared and investigated for different flow rates and particle size in the microchannel with rhombic and equilateral hexagonal cross section. We also investigated the influence of Newtonian fluid and viscoelastic fluid on particle migration in both microchannels through the numerical simulation. The experimental results showed the multi-line particle focusing in Newtonian fluid over a wide range of flow rates, but the single-line particle focusing was formed in the centerline under non-Newtonian fluid. The tighter particle focusing appeared under non-Newtonian fluid in the microchannel with equilateral hexagonal cross-section than in the microchannel with rhombic cross section because of the effect of an obtuse angle. It revealed that particles suspended in the channel are likely to drift toward a channel center due to a negative net elasto-inertial force throughout the cross-sectional area. Simulation results support the present experimental observation that the viscoelastic fluid in the microchannel with rhombic and equilateral hexagonal cross-section significantly influences on the particle migration toward the channel center owing to coupled effect of inertia and elasticity.
Modeling of the Electrochemical Motion Sensor Conversion Factor at High Frequencies
Authors: Agafonov Vadim , Kompaniets Iuliia , Liu Bowen , Chen Jian
Published: January 2022

The conversion factor of the electrochemical motion sensors at low frequencies is usually quite high. At the same time, it decreases significantly with the increase in frequency. Thus, increasing the conversion factor for high frequencies is essential for practical use. In this work, the theoretical model that allows establishing the basic laws governing the conversion of high-frequency signals in an electrochemical cell has been suggested. The approach was based on the fact that in the case of high frequencies, the diffusion length is less than the distance between the electrodes and the thickness of the channel and it is enough to consider the transformation of the fluid motion into electrical current only near the cathodes. It was found that the signal output current can be represented as the sum of the term which is proportional to the steady-state concentration gradient along the surface on which the cathode is located, and the term proportional to the concentration gradient normal to the surface. Both first and second terms and the total signal current have been calculated for a particular case of a four-electrode planar system. The practical conclusion is that the high frequency conversion factor increases with the interelectrode distance and the channel width decreases compared to the cathode dimension.
Finite Element Analysis and Polarization Test of IDEs Piezoelectric Actuator
Authors: Liu Yonggang , Zhang Shuliang , Zeng Aoke , Yan Pengfei
Published: January 2022

A new type of actuator is presented in the paper that integrates the IDEs into a conventional piezoelectric sheet. The electrodes and polarization play a key role in the strain. Adopting constitutive equations of piezoelectric theory and variation principles in elasticity theory, the piezoelectric component dynamic equation was deduced. Several finite element models of the IDEs piezoelectric actuator were established in ANSYS. The effect of branch electrodes on the strain of the actuator was analyzed. The results show that the strain can be bigger than that of the conventional piezoelectric sheet by decreasing the gap and increasing the width of electrodes. According to the FEM result, some IDEs piezoelectric actuators were prepared. The distribution of the static electric field inside the actuator was researched to determine the polarization voltage. The 2671 high voltage power and DU-20 temperature-controlled oil bath was applied to explore the polarization process. The effect of the voltage, time and temperature on the strain of the actuator was researched by a TF2000 and SIOS laser interferometer. The results show that the optimum polarization is 800 V, for 60 min and at 150 °C. The strain of the IDEs piezoelectric actuator is 1.87 times that of the conventional piezoelectric actuator. The actuators could prove to be helpful applications for micro-nano devices.
Applications of 3D Bioprinting Technology in Induced Pluripotent Stem Cells-Based Tissue Engineering
Authors: Shukla Arvind Kumar , Gao Ge , Kim Byoung Soo
Published: January 2022

Induced pluripotent stem cells (iPSCs) are essentially produced by the genetic reprogramming of adult cells. Moreover, iPSC technology prevents the genetic manipulation of embryos. Hence, with the ensured element of safety, they rarely cause ethical concerns when utilized in tissue engineering. Several cumulative outcomes have demonstrated the functional superiority and potency of iPSCs in advanced regenerative medicine. Recently, an emerging trend in 3D bioprinting technology has been a more comprehensive approach to iPSC-based tissue engineering. The principal aim of this review is to provide an understanding of the applications of 3D bioprinting in iPSC-based tissue engineering. This review discusses the generation of iPSCs based on their distinct purpose, divided into two categories: (1) undifferentiated iPSCs applied with 3D bioprinting; (2) differentiated iPSCs applied with 3D bioprinting. Their significant potential is analyzed. Lastly, various applications for engineering tissues and organs have been introduced and discussed in detail.
Periodic Relief Fabrication and Reversible Phase Transitions in Amorphous Ge2Sb2Te5 Thin Films upon Multi-Pulse Femtosecond Irradiation
Authors: Zabotnov Stanislav , Kolchin Aleksandr , Shuleiko Dmitrii , Presnov Denis , Kaminskaya Tatiana , Lazarenko Petr , Glukhenkaya Victoriia , Kunkel Tatiana , Kozyukhin Sergey , Kashkarov Pavel
Published: January 2022

Ge2Sb2Te5 based devices attract the attention of researchers due to wide opportunities in designing phase change memory. Herein, we studied a possibility to fabricate periodic micro- and nanorelief at surfaces of Ge2Sb2Te5 thin films on silicon oxide/silicon substrates under multi-pulse femtosecond laser irradiation with the wavelength of 1250 nm. One-dimensional lattices with periods of 1250 ± 90 and 130 ± 30 nm were obtained depending on the number of acted laser pulses. Emergence of these structures can be explained by plasmon-polariton generation and laser-induced hydrodynamic instabilities, respectively. Additionally, formation of the lattices whose spatial period is close to the impacted laser wavelength can be modelled by considering the free carrier contribution under intensive photoexcitation. Raman spectroscopy revealed both crystallization and re-amorphization of the irradiated films. The obtained results show a possibility to fabricate rewritable all-dielectric data-storage devices based on Ge2Sb2Te5 with the periodic relief.
Insight on Exogenous Calcium/Magnesium in Weakening Pyrite Floatability with Prolonged Pre-Oxidation: Localized and Concomitant Secondary Minerals and Their Depression Characteristics
Authors: Xue Jifeng , Fuchida Shigeshi , Ishida Sana , Tokoro Chiharu
Published: January 2022

In this study, we investigated the localized and concomitant precipitation of calcium (Ca)/magnesium (Mg)-bearing species and iron oxides/oxyhydroxides, and their depression characteristics to the pyrite floatability in flotation process at pH 9 and pH 10.5 with prolonged pre-oxidation. Contrary to the depression characteristics at pH 9, the incipient (within aeration times of 30 min) depression of pyrite floatability in Ca/Mg-bearing solutions was more obvious at pH 10.5, while the subsequent decline was only slightly when the pre-oxidation time was expanded to 120 min and 360 min. The competitive adsorption among Ca/Mg-bearing species and potassium amyl xanthate (PAX, C6H11OS2K, collector) at specific sites onto the pyrite surface was demonstrated by the regularly decreased zeta potential of the pyrite surface pretreated in Ca/Mg-bearing solutions. Further scanning electron microscopy-energy dispersive spectrometry demonstrated the concomitant secondary Ca/Mg/Fe-bearing precipitates on the pyrite surface. X-Ray photoelectron spectroscopy suggested strong reprecipitation of iron oxides/oxyhydroxides on the pyrite surface via acid–base complexation among Ca/Mg hydroxy species and iron hydroxy species. Incipient occupation efficiency of specific reaction sites by Ca/Mg-bearing species, which were mainly controlled by the metastable distribution of Ca/Mg hydroxy species and their electrostatic affinity with pyrite surface, was the crucial factor that influenced the competitive adsorption of xanthate and pyrite floatability. More obvious incipient depression at pH 10.5 rather than at pH 9 contributed to more effective Ca/Mg-bearing species and their higher affinity to pyrite surface at pH 10.5. The localized and concomitant precipitation of secondary Ca/Mg/Fe-bearing species leads to a slightly increased hydrophilic coverage upon the pyrite surface, thus a slowly decreased pyrite floatability with increasing pre-oxidation time.
Hibiscus Acid from Hibiscus sabdariffa L. Inhibits Flagellar Motility and Cell Invasion in Salmonella enterica
Authors: Sedillo-Torres Ixchell Y. , Hernández-Rangel Álvaro O. , Gómez-y-Gómez Yolanda , Cortés-Avalos Daniel , García-Pérez Blanca Estela , Villalobos-Rocha Juan C. , Hernández-Rodríguez César H. , Zepeda-Vallejo Luis Gerardo , Estrada-de los Santos Paulina , Vargas-Díaz María Elena , Ibarra Jose Antonio
Published: January 2022

Extracts of Hibiscus sabdariffa L. (commonly called Rosselle or “Jamaica flower” in Mexico) have been shown to have antibiotic and antivirulence properties in several bacteria. Here, an organic extract of H. sabdariffa L. is shown to inhibit motility in Salmonella enterica serovars Typhi and Typhimurium. The compound responsible for this effect was purified and found to be the hibiscus acid. When tested, this compound also inhibited motility and reduced the secretion of both flagellin and type III secretion effectors. Purified hibiscus acid was not toxic in tissue-cultured eukaryotic cells, and it was able to reduce the invasion of Salmonella Typhimurium in epithelial cells. Initial steps to understand its mode of action showed it might affect membrane proton balance.
Simultaneous Determination of Seven Lipophilic and Hydrophilic Components in Salvia miltiorrhiza Bunge by LC-MS/MS Method and Its Application to a Transport Study in a Blood-Brain-Barrier Cell Model
Authors: Wang Hui , Zhang Mingyong , Fang Jiahao , He Yuzhen , Liu Min , Hong Zhanying , Chai Yifeng
Published: January 2022

Salvia miltiorrhiza Bunge (SM) has been extensively used in Alzheimer’s disease treatment, the permeability through the blood-brain barrier (BBB) determining its efficacy. However, the transport mechanism of SM components across the BBB remains to be clarified. A simple, precise, and sensitive method using LC-MS/MS was developed for simultaneous quantification of tanshinone I (TS I), dihydrotanshinone I (DTS I), tanshinone IIA (TS IIA), cryptotanshinone (CTS), protocatechuic aldehyde (PAL), protocatechuic acid (PCTA), and caffeic acid (CFA) in transport samples. The analytes were separated on a C18 column by gradient elution. Multiple reaction monitoring mode via electrospray ionization source was used to quantify the analytes in positive mode for TS I, DTS I, TS IIA, CTS, and negative mode for PAL, PCTA, and CFA. The linearity ranges were 0.1–8 ng/mL for TS I and DTS I, 0.2–8 ng/mL for TS IIA, 1–80 ng/mL for CTS, 20–800 ng/mL for PAL and CFA, and 10–4000 ng/mL for PCTA. The developed method was accurate and precise for the compounds. The relative matrix effect was less than 15%, and the analytes were stable for analysis. The established method was successfully applied for transport experiments on a BBB cell model to evaluate the apparent permeability of the seven components.
Microsecond Electrical Breakdown in Water: Advances Using Emission Analysis and Cavitation Bubble Theory
Authors: Rond Cathy , Fagnon Nicolas , Dufour Benjamin , Nguyen Son Truong , Vega Arlette , Duten Xavier
Published: January 2022

Electrical discharges in water are a subject of major interest because of both the wide range of potential applications and the complexity of the processes. This paper aimed to provide significant insights to better understand processes involved during a microsecond electrical discharge in water, especially during the propagation and the breakdown phases. Two different approaches were considered. The first analysis focused on the emission produced by the discharge during the propagation using fast imaging measurements and spatially resolved optical emission spectroscopy. The excited species H, O, and OH were monitored in the whole interelectrode gap. The second analysis concerned the thermodynamic conditions induced by the breakdown of the discharge. The time evolution of the bubble radius was simulated and estimation of the initial pressure of the cavitation bubble was performed using the Rayleigh–Plesset model. Values of about 1.7 × 107 Pa and 1.2 × 108 Pa were reported for the cathode and anode regimes, respectively. This multidisciplinary approach constitutes a new step to obtain an accurate physical and chemical description of pin-to-pin electrical discharges in water.
Structural Refinement of 2,4-Thiazolidinedione Derivatives as New Anticancer Agents Able to Modulate the BAG3 Protein
Authors: Ruggiero Dafne , Terracciano Stefania , Lauro Gianluigi , Pecoraro Michela , Franceschelli Silvia , Bifulco Giuseppe , Bruno Ines
Published: January 2022

The multidomain BAG3 protein is a member of the BAG (Bcl-2-associated athanogene) family of co-chaperones, involved in a wide range of protein–protein interactions crucial for many key cellular pathways, including autophagy, cytoskeletal dynamics, and apoptosis. Basal expression of BAG3 is elevated in several tumor cell lines, where it promotes cell survival signaling and apoptosis resistance through the interaction with many protein partners. In addition, its role as a key player of several hallmarks of cancer, such as metastasis, angiogenesis, autophagy activation, and apoptosis inhibition, has been established. Due to its involvement in malignant transformation, BAG3 has emerged as a potential and effective biological target to control multiple cancer-related signaling pathways. Recently, by using a multidisciplinary approach we reported the first synthetic BAG3 modulator interfering with its BAG domain (BD), based on a 2,4-thiazolidinedione scaffold and endowed with significant anti-proliferative activity. Here, a further in silico-driven selection of a 2,4-thiazolidinedione-based compound was performed. Thanks to a straightforward synthesis, relevant binding affinity for the BAG3BD domain, and attractive biological activities, this novel generation of compounds is of great interest for the development of further BAG3 binders, as well as for the elucidation of the biological roles of this protein in tumors. Specifically, we found compound 6 as a new BAG3 modulator with a relevant antiproliferative effect on two different cancer cell lines (IC50: A375 = 19.36 μM; HeLa = 18.67 μM).
Sustainable Diesel from Pyrolysis of Unsaturated Fatty Acid Basic Soaps: The Effect of Temperature on Yield and Product Composition
Authors: Puspawiningtiyas Endar , Muraza Oki , Devianto Hary , Pratiwi Meiti , Subagjo  , Prakoso Tirto , Krisnawan  , Zaki Usamah , Elizabeth Lidya , Soerawidjaja Tatang H. , Situmorang Yohanes Andre , Indarto Antonius
Published: January 2022

The production of sustainable diesel without hydrogen addition remains a challenge for low-cost fuel production. In this work, the pyrolysis of unsaturated fatty acid (UFA) basic soaps was studied for the production sustainable diesel (bio-hydrocarbons). UFAs were obtained from palm fatty acids distillate (PFAD), which was purified by the fractional crystallization method. Metal hydroxides were used to make basic soap composed of a Ca, Mg, and Zn mixture with particular composition. The pyrolysis reactions were carried out in a batch reactor at atmospheric pressure and various temperatures from 375 to 475 °C. The liquid products were obtained with the best yield (58.35%) at 425 °C and yield of diesel fraction 53.4%. The fatty acids were not detected in the pyrolysis liquid product. The gas product consisted of carbon dioxide and methane. The liquid products were a mixture of hydrocarbon with carbon chains in the range of C7 and C20 containing n-alkane, alkene, and iso-alkane.
In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
Authors: Ngidi Nolwazi Thobeka Portia , Machaba Kgothatso Eugene , Mhlongo Ndumiso Nhlakanipho
Published: January 2022

Background: Despite the enormous efforts made towards combating tuberculosis (TB), the disease remains a major global threat. Hence, new drugs with novel mechanisms against TB are urgently needed. Fatty acid degradation protein D32 (FadD32) has been identified as a promising drug target against TB, the protein is required for the biosynthesis of mycolic acids, hence, essential for the growth and multiplication of the mycobacterium. However, the FadD32 mechanism upon the binding of FDA-approved drugs is not well established. Herein, we applied virtual screening (VS), molecular docking, and molecular dynamic (MD) simulation to identify potential FDA-approved drugs against FadD32. Methodology/Results: VS technique was found promising to identify four FDA-approved drugs (accolate, sorafenib, mefloquine, and loperamide) with higher molecular docking scores, ranging from −8.0 to −10.0 kcal/mol. Post-MD analysis showed that the accolate hit displayed the highest total binding energy of −45.13 kcal/mol. Results also showed that the accolate hit formed more interactions with FadD32 active site residues and all active site residues displayed an increase in total binding contribution. RMSD, RMSF, Rg, and DCCM analysis further supported that the presence of accolate exhibited more structural stability, lower bimolecular flexibility, and more compactness into the FadD32 protein. Conclusions: Our study revealed accolate as the best potential drug against FadD32, hence a prospective anti-TB drug in TB therapy. In addition, we believe that the approach presented in the current study will serve as a cornerstone to identifying new potential inhibitors against a wide range of biological targets.
Heteroatom-Doped Metal-Free Carbon Nanomaterials as Potential Electrocatalysts
Authors: Chattopadhyay Jayeeta , Pathak Tara Sankar , Pak Daewon
Published: January 2022

In recent years, heteroatom-incorporated specially structured metal-free carbon nanomaterials have drawn huge attention among researchers. In comparison to the undoped carbon nanomaterials, heteroatoms such as nitrogen-, sulphur-, boron-, phosphorous-, etc., incorporated nanomaterials have become well-accepted as potential electrocatalysts in water splitting, supercapacitors and dye-sensitized solar cells. This review puts special emphasis on the most popular synthetic strategies of heteroatom-doped and co-doped metal-free carbon nanomaterials, viz., chemical vapor deposition, pyrolysis, solvothermal process, etc., utilized in last two decades. These specially structured nanomaterials’ extensive applications as potential electrocatalysts are taken into consideration in this article. Their comparative enhancement of electrocatalytic performance with incorporation of heteroatoms has also been discussed.
Tilianin: A Potential Natural Lead Molecule for New Drug Design and Development for the Treatment of Cardiovascular Disorders
Authors: Khattulanuar Farrah Syazana , Sekar Mahendran , Fuloria Shivkanya , Gan Siew Hua , Rani Nur Najihah Izzati Mat , Ravi Subban , Chidambaram Kumarappan , Begum M. Yasmin , Azad Abul Kalam , Jeyabalan Srikanth , Dhiravidamani Arulmozhi , Thangavelu Lakshmi , Lum Pei Teng , Subramaniyan Vetriselvan , Wu Yuan Seng , Sathasivam Kathiresan V. , Fuloria Neeraj Kumar
Published: January 2022

Cardiovascular disorders (CVDs) are the leading risk factor for death worldwide, and research into the processes and treatment regimens has received a lot of attention. Tilianin is a flavonoid glycoside that can be found in a wide range of medicinal plants and is most commonly obtained from Dracocephalum moldavica. Due to its extensive range of biological actions, it has become a well-known molecule in recent years. In particular, numerous studies have shown that tilianin has cardioprotective properties against CVDs. Hence, this review summarises tilianin’s preclinical research in CVDs, as well as its mechanism of action and opportunities in future drug development. The physicochemical and drug-likeness properties, as well as the toxicity profile, were also highlighted. Tilianin can be a natural lead molecule in the therapy of CVDs such as coronary heart disease, angina pectoris, hypertension, and myocardial ischemia, according to scientific evidence. Free radical scavenging, inflammation control, mitochondrial function regulation, and related signalling pathways are all thought to play a role in tilianin’s cardioprotective actions. Finally, we discuss tilianin-derived compounds, as well as the limitations and opportunities of using tilianin as a lead molecule in drug development for CVDs. Overall, the scientific evidence presented in this review supports that tilianin and its derivatives could be used as a lead molecule in CVD drug development initiatives.
Recent Developments in Nitric Oxide Donors and Delivery for Antimicrobial and Anti-Biofilm Applications
Authors: Poh Wee Han , Rice Scott A.
Published: January 2022

The use of nitric oxide (NO) is emerging as a promising, novel approach for the treatment of antibiotic resistant bacteria and biofilm infections. Depending on the concentration, NO can induce biofilm dispersal, increase bacteria susceptibility to antibiotic treatment, and induce cell damage or cell death via the formation of reactive oxygen or reactive nitrogen species. The use of NO is, however, limited by its reactivity, which can affect NO delivery to its target site and result in off-target effects. To overcome these issues, and enable spatial or temporal control over NO release, various strategies for the design of NO-releasing materials, including the incorporation of photo-activable, charge-switchable, or bacteria-targeting groups, have been developed. Other strategies have focused on increased NO storage and delivery by encapsulation or conjugation of NO donors within a single polymeric framework. This review compiles recent developments in NO drugs and NO-releasing materials designed for applications in antimicrobial or anti-biofilm treatment and discusses limitations and variability in biological responses in response to the use of NO for bacterial eradiation.
Enantiotropy of Simvastatin as a Result of Weakened Interactions in the Crystal Lattice: Entropy-Driven Double Transitions and the Transient Modulated Phase as Seen by Solid-State NMR Spectroscopy
Authors: Brus Jiri , Czernek Jiri , Urbanova Martina , Červinka Ctirad
Published: January 2022

In crystalline molecular solids, in the absence of strong intermolecular interactions, entropy-driven processes play a key role in the formation of dynamically modulated transient phases. Specifically, in crystalline simvastatin, the observed fully reversible enantiotropic behavior is associated with multiple order–disorder transitions: upon cooling, the dynamically disordered high-temperature polymorphic Form I is transformed to the completely ordered low-temperature polymorphic Form III via the intermediate (transient) modulated phase II. This behavior is associated with a significant reduction in the kinetic energy of the rotating and flipping ester substituents, as well as a decrease in structural ordering into two distinct positions. In transient phase II, the conventional three-dimensional structure is modulated by periodic distortions caused by cooperative conformation exchange of the ester substituent between the two states, which is enabled by weakened hydrogen bonding. Based on solid-state NMR data analysis, the mechanism of the enantiotropic phase transition and the presence of the transient modulated phase are documented.
Variation in the Antibacterial and Antioxidant Activities of Essential Oils of Five New Eucalyptus urophylla S.T. Blake Clones in Thailand
Authors: Diloksumpun Sapit , Wongkattiya Nalin , Buaban Kittisak , Saleepochn Tharinee , Suttiarporn Panawan , Luangkamin Suwaporn
Published: January 2022

Eucalyptus oils are widely used for a variety of purposes. This study investigates the terpenoid compositions and antibacterial and antioxidant activities of eucalypt leaf oils extracted from four E. urophylla clones and one E. urophylla × E. camaldulensis hybrid clone grown in Thailand. According to GC/MS analysis, the E. urophylla oils were mainly composed of 1,8-cineole, α-terpinyl acetate, β-caryophyllene, and spathulenol, while 1,8-cineole, α-terpinyl acetate, p-cymene, and γ-terpinene were mostly identified in the hybrid oil. All eucalypt oils exhibited a significant bacteriostatic effect against Gram-positive bacteria, Streptococcus pyogenes, Staphylococcus aureus, Listeria monocytogenes, and Bacillus cereus. Only the hybrid oil had an effect on all Gram-negative bacteria tested, including Salmonella typhi, Escherichia coli, Pseudomonas aeruginosa, and Enterobacter aerogenes. These oils have antibacterial properties that vary according to their terpenoid content. Only the hybrid oil had a potent antioxidant effect, with an IC50 value of 4.21 ± 0.35 mg/mL for free radical (DPPH) scavenging. This oil’s antioxidant effect may be a result of the phenolic terpenoids, thymol and carvacrol. As a result, these oils may be a novel source of antibacterial and antioxidant agents. Additionally, the antibacterial and antioxidant capabilities of the E. urophylla × E. camaldulensis hybrid essential oil are reported for the first time.
Phytochemical Diversity and Antioxidant Potential of Natural Populations of Nelumbo nucifera Gaertn. throughout the Floristic Regions in Thailand
Authors: Tungmunnithum Duangjai , Drouet Samantha , Hano Christophe
Published: January 2022

Asian lotus has long been consumed as a food and herbal drug that provides several health benefits. The number of studies on its biological activity is significant, but research at the population level to investigate the variation in phytochemicals and biological activity of each population which is useful for a more efficient phytopharmaceutical application strategy remains needed. This present study provided the frontier results to fill-in this necessary gap to investigating the phytopharmaceutical potential of perianth and stamen, which represent an important part for Asian traditional medicines, from 18 natural populations throughout Thailand by (1) determining their phytochemical profiles, such as total contents of phenolic, flavonoid, and anthocyanin, and (2) determining the antioxidant activity of these natural populations using various antioxidant assays to examine different mechanisms. The result showed that Central is the most abundant floristic region. The stamen was higher in total phenolic and flavonoid contents, whereas perianth was higher in monomeric anthocyanin content. This study provided the first description of the significant correlation between phytochemical contents in perianth compared with stamen extracts, and indicated that flavonoids are the main phytochemical class. This analysis indicated that the stamen is a richer source of flavonoids than perianth, and provided the first report to quantify different flavonoids accumulated in stamen and perianth extracts under their native glycosidic forms at the population level. Various antioxidant assays revealed that major flavonoids from N. nucifera prefer the hydrogen atom transfer mechanism when quenching free radicals. The significant correlations between various phytochemical classes and the different antioxidant tests were noted by Pearson correlation coefficients and emphasized that the antioxidant capability of an extract is generally the result of complex phytochemical combinations as opposed to a single molecule. These current findings offer the alternative starting materials to assess the phytochemical diversity and antioxidant potential of N. nucifera for phytopharmaceutical sectors.
Application of HPLC-QQQ-MS/MS and New RP-HPLC-DAD System Utilizing the Chaotropic Effect for Determination of Nicotine and Its Major Metabolites Cotinine, and trans-3′-Hydroxycotinine in Human Plasma Samples
Authors: Baj Jacek , Flieger Wojciech , Przygodzka Dominika , Buszewicz Grzegorz , Teresiński Grzegorz , Pizoń Magdalena , Maciejewski Ryszard , Flieger Jolanta
Published: January 2022

The routine techniques currently applied for the determination of nicotine and its major metabolites, cotinine, and trans-3′-hydroxycotinine, in biological fluids, include spectrophotometric, immunoassays, and chromatographic techniques. The aim of this study was to develop, and compare two new chromatographic methods high-performance liquid chromatography coupled to triple quadrupole mass spectrometry (HPLC-QQQ-MS/MS), and RP-HPLC enriched with chaotropic additives, which would allow reliable confirmation of tobacco smoke exposure in toxicological and epidemiological studies. The concentrations of analytes were determined in human plasma as the sample matrix. The methods were compared in terms of the linearity, accuracy, repeatability, detection and quantification limits (LOD and LOQ), and recovery. The obtained validation parameters met the ICH requirements for both proposed procedures. However, the limits of detection (LOD) were much better for HPLC-QQQ-MS/MS (0.07 ng mL−1 for trans-3′-hydroxcotinine; 0.02 ng mL−1 for cotinine; 0.04 ng mL−1 for nicotine) in comparison to the RP-HPLC-DAD enriched with chaotropic additives (1.47 ng mL−1 for trans-3′-hydroxcotinine; 1.59 ng mL−1 for cotinine; 1.50 ng mL−1 for nicotine). The extraction efficiency (%) was concentration-dependent and ranged between 96.66% and 99.39% for RP-HPLC-DAD and 76.8% to 96.4% for HPLC-QQQ-MS/MS. The usefulness of the elaborated analytical methods was checked on the example of the analysis of a blood sample taken from a tobacco smoker. The nicotine, cotinine, and trans-3′-hydroxycotinine contents in the smoker’s plasma quantified by the RP-HPLC-DAD method differed from the values measured by the HPLC-QQQ-MS/MS. However, the relative errors of measurements were smaller than 10% (6.80%, 6.72%, 2.04% respectively).
DrugDevCovid19: An Atlas of Anti-COVID-19 Compounds Derived by Computer-Aided Drug Design
Authors: Liu Yang , Gan Jianhong , Wang Rongqi , Yang Xiaocong , Xiao Zhixiong , Cao Yang
Published: January 2022

Since the outbreak of SARS-CoV-2, numerous compounds against COVID-19 have been derived by computer-aided drug design (CADD) studies. They are valuable resources for the development of COVID-19 therapeutics. In this work, we reviewed these studies and analyzed 779 compounds against 16 target proteins from 181 CADD publications. We performed unified docking simulations and neck-to-neck comparison with the solved co-crystal structures. We computed their chemical features and classified these compounds, aiming to provide insights for subsequent drug design. Through detailed analyses, we recommended a batch of compounds that are worth further study. Moreover, we organized all the abundant data and constructed a freely available database, DrugDevCovid19, to facilitate the development of COVID-19 therapeutics.
Efficacy and Safety of Ferrous Bisglycinate and Folinic Acid in the Control of Iron Deficiency in Pregnant Women: A Randomized, Controlled Trial
Authors: Bumrungpert Akkarach , Pavadhgul Patcharanee , Piromsawasdi Theera , Mozafari M. R.
Published: January 2022

Iron deficiency in pregnancy is a major public health problem that causes maternal complications. The objective of this randomized, controlled trial was to examine the bioavailability, efficacy, and safety of oral ferrous bisglycinate plus folinic acid supplementation in pregnant women with iron deficiency. Subjects (12–16 weeks of gestation, n = 120) were randomly allocated to receive oral iron as ferrous bisglycinate (equiv. iron 24 mg) in supplement form with folinic acid and multivitamins (test group, n = 60) or as ferrous fumarate (equiv. iron 66 mg iron, control group, n = 60) after breakfast daily. Iron absorption was assessed by measuring fasted serum iron levels at 1 and 2 h immediately after supplementation. Hematological biomarkers and iron status were assessed before intervention, and at 3 and 6 months. Side effects were monitored throughout the intervention. A significant increase in serum iron was seen in both groups (p < 0.001) during the bioavailability assessment; however, the test group increases were comparatively higher than the control values at each timepoint (p < 0.001). Similarly, both test and control groups demonstrated a statistically significant increases in hemoglobin (Hb) (p < 0.001), erythrocytes (p < 0.001), reticulocytes (p < 0.001), mean corpuscular volume (MCV) (p < 0.001), mean corpuscular hemoglobin (MCH) (p < 0.001), mean corpuscular hemoglobin concentration (MCHC) (p < 0.001), % transferrin saturation (p < 0.001), and ferritin (p < 0.001) at 3 and 6 months after supplementation. However, in all cases, the test group increases were numerically larger than the control group increases at each timepoint. The test intervention was also associated with significantly fewer reports of nausea, abdominal pain, bloating, constipation, or metallic taste (p < 0.001). In conclusion, ferrous bisglycinate with folinic acid as a multivitamin nutraceutical format is comparable to standard ferrous fumarate for the clinical management of iron deficiency during pregnancy, with comparatively better absorption, tolerability, and efficacy and with a lower elemental iron dosage.
Effect of Dietary Protein and Processing on Gut Microbiota—A Systematic Review
Authors: Wu Shujian , Bhat Zuhaib , Gounder Rochelle , Mohamed Ahmed Isam , Al-Juhaimi Fahad , Ding Yu , Bekhit Alaa
Published: January 2022

The effect of diet on the composition of gut microbiota and the consequent impact on disease risk have been of expanding interest. The present review focuses on current insights of changes associated with dietary protein-induced gut microbial populations and examines their potential roles in the metabolism, health, and disease of animals. Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) protocol was used, and 29 highly relevant articles were obtained, which included 6 mouse studies, 7 pig studies, 15 rat studies, and 1 in vitro study. Analysis of these studies indicated that several factors, such as protein source, protein content, dietary composition (such as carbohydrate content), glycation of protein, processing factors, and protein oxidation, affect the digestibility and bioavailability of dietary proteins. These factors can influence protein fermentation, absorption, and functional properties in the gut and, consequently, impact the composition of gut microbiota and affect human health. While gut microbiota can release metabolites that can affect host physiology either positively or negatively, the selection of quality of protein and suitable food processing conditions are important to have a positive effect of dietary protein on gut microbiota and human health.
Can Fasting Curb the Metabolic Syndrome Epidemic?
Authors: Vrdoljak Josip , Kumric Marko , Vilovic Marino , Martinovic Dinko , Rogosic Veljko , Borovac Josip A. , Ticinovic Kurir Tina , Bozic Josko
Published: January 2022

Metabolic syndrome (MetS) represents a cluster of metabolic abnormalities that includes hypertension, central obesity, insulin resistance, and atherogenic dyslipidemia. Due to the high prevalence (around 1/3 of the world population) economic burden of MetS, there is a need for new dietary, lifestyle, and therapeutic options. Recently, fasting emerged as a dietary method proposed for controlling metabolic risk factors. Intermittent fasting (IF), or time-restricted feeding (TRF), describes an array of feeding patterns in which calorie intake is restricted to a specific time period. Hence, this review aimed to elucidate the latest data on MetS and explore the viability of simple management options, such as IF and TRF. Preclinical studies have shown how IF/TRF exerts beneficial effects on the gut microbiota, glucose and insulin metabolism, weight and visceral fat, and lipid metabolism. However, the results obtained from human studies are somewhat conflicting, as weight loss was achieved in all studies, whereas in some studies, there was no significant effect on insulin resistance, cholesterol/lipid metabolism, or blood pressure. Nevertheless, as only very few human studies were performed, there is a need for more randomized control trials on larger cohorts of patients with MetS to gather higher-yield evidence to clarify whether IF/TRF are suitable dietary patterns for this population.
Association between FADS Gene Expression and Polyunsaturated Fatty Acids in Breast Milk
Authors: Tian Huimin , Yu Haitao , Lin Yiqi , Li Yueting , Xu Wenhui , Chen Yiru , Liu Guoliang , Xie Lin
Published: January 2022

Polyunsaturated fatty acid (PUFA) in breast milk provides physiological benefits for offspring and is closely related to endogenous biosynthesis in lactating women. Few studies have addressed the association between fatty acid desaturase (FADS) gene expression patterns and fatty acids in breast milk. This research aimed to explore the differences in PUFA levels among breast milk groups with different levels of FADS gene expression and provide a scientific basis for precision nutrition strategies. A total of 50 healthy women 42–45 days postpartum were included in this study. A basic information questionnaire and breast milk samples were collected. Eight types of PUFA were detected, and RNA was extracted from breast milk. The transcription level of the FADS gene was detected using real-time quantitative PCR. Significant differences in the content of gamma-linolenic acid and eicosatrienoic acid (C20:3n6) were found in breast milk among FADS1 gene transcription groups (p = 0.009, p = 0.042, respectively). No significant differences in PUFA were found among the FADS2 and FADS3 gene expression groups. The results demonstrated that n-6 PUFA was associated with the mRNA expression levels of the FADS1 gene. They are of great significance in developing new methods and diets to optimize infant feeding using breast milk.
An Assessment of the Nutritional Value of the Preschool Food Rations for Children from the Wroclaw District, Poland—The Case of a Big City
Authors: Orkusz Agnieszka
Published: January 2022

The evaluation of nutrition is an essential element of preventing chronic diseases and can be used to determine nutritional recommendations. A child spends about 7–8 h a day in a kindergarten; therefore, meals served there should be balanced appropriately to ensure the full psychophysical development of the young organism. At preschool age, children develop eating habits that can have life-long effects. Based on 10-day menus, the study aimed to estimate the energy and nutritional value of children’s diets at four randomly selected kindergartens in the Wroclaw district, Poland. In total, 80 menus were analyzed (40 for summer and 40 for autumn). The data from kindergartens were analyzed based on the Diet 6D computer program. Regardless of the kindergarten, the analyzed food rations showed irregularities related to excessive supplies (in reference to the dietary recommendations) of sucrose, fiber, salt, magnesium, and vitamin A. The preschool food rations did not cover demands with respect to PUFA n-3, PUFA-n-6, calcium, and vitamin D. The observed irregularities confirm the need to monitor the content of energy and nutrients in preschool menus to be able to correct any dietary errors.
Interventions on Microbiota: Where Do We Stand on a Gut–Brain Link in Autism? A Systematic Review
Authors: Prosperi Margherita , Santocchi Elisa , Guiducci Letizia , Frinzi Jacopo , Morales Maria Aurora , Tancredi Raffaella , Muratori Filippo , Calderoni Sara
Published: January 2022

The alteration of the microbiota–gut–brain axis has been recently recognized as a critical modulator of neuropsychiatric health and a possible factor in the etiopathogenesis of autism spectrum disorders (ASD). This systematic review offers practitioners an overview of the potential therapeutic options to modify dysbiosis, GI symptoms, and ASD severity by modulating the microbiota–gut–brain axis in ASD, taking into consideration limits and benefits from current findings. Comprehensive searches of PubMed, Scopus, the Web of Science Core Collection, and EMBASE were performed from 2000 to 2021, crossing terms referred to ASD and treatments acting on the microbiota–gut–brain axis. A total of 1769 publications were identified, of which 19 articles met the inclusion criteria. Data were extracted independently by two reviewers using a preconstructed form. Despite the encouraging findings, considering the variability of the treatments, the samples size, the duration of treatment, and the tools used to evaluate the outcome of the examined trials, these results are still partial. They do not allow to establish a conclusive beneficial effect of probiotics and other interventions on the symptoms of ASD. In particular, the optimal species, subspecies, and dosages have yet to be identified. Considering the heterogeneity of ASD, double-blind, randomized, controlled trials and treatment tailored to ASD characteristics and host-microbiota are recommended.
Exploratory Study of the Frequency of Detection and Tissue Distribution of Porcine Circovirus 3 (PCV-3) in Pig Fetuses at Different Gestational Ages
Authors: Ruiz Albert , Saporiti Viviane , Huerta Eva , Balasch Mònica , Segalés Joaquim , Sibila Marina
Published: January 2022

Porcine circovirus 3 (PCV-3) has been associated with several pig diseases. Despite the pathogenicity of this virus has not been completely clarified, reproductive disorders are consistently associated with its infection. The aim of the present work was to analyze the presence of PCV-3 DNA in tissues from pig fetuses from different gestational timepoints. The fetuses were obtained either from farms with no reproductive problems (NRP, n = 249; all of them from the last third of gestation) or from a slaughterhouse (S, n = 51; 49 of the second-third of gestation and 2 from the third one). Tissues collected included brain, heart, lung, kidney, and/or spleen. Overall, the frequency of detection of PCV-3 was significantly higher in fetuses from the last third of the gestation (69/251, 27.5%) when compared to those from the second-third (5/49, 10.2%), although the viral loads were not significantly different. Moreover, the frequency of detection in NRP fetuses (69/249, 27.7%) was significantly higher than in S ones (5/51, 9.8%). Furthermore, PCV-3 DNA was detected in all tissue types analyzed. In conclusion, the present study demonstrates a higher frequency of PCV-3 DNA detection in fetuses from late periods of the gestation and highlights wide organ distributions of the virus in pig fetuses.
Advances in Microbiome-Derived Solutions and Methodologies Are Founding a New Era in Skin Health and Care
Authors: Gueniche Audrey , Perin Olivier , Bouslimani Amina , Landemaine Leslie , Misra Namita , Cupferman Sylvie , Aguilar Luc , Clavaud Cécile , Chopra Tarun , Khodr Ahmad
Published: January 2022

The microbiome, as a community of microorganisms and their structural elements, genomes, metabolites/signal molecules, has been shown to play an important role in human health, with significant beneficial applications for gut health. Skin microbiome has emerged as a new field with high potential to develop disruptive solutions to manage skin health and disease. Despite an incomplete toolbox for skin microbiome analyses, much progress has been made towards functional dissection of microbiomes and host-microbiome interactions. A standardized and robust investigation of the skin microbiome is necessary to provide accurate microbial information and set the base for a successful translation of innovations in the dermo-cosmetic field. This review provides an overview of how the landscape of skin microbiome research has evolved from method development (multi-omics/data-based analytical approaches) to the discovery and development of novel microbiome-derived ingredients. Moreover, it provides a summary of the latest findings on interactions between the microbiomes (gut and skin) and skin health/disease. Solutions derived from these two paths are used to develop novel microbiome-based ingredients or solutions acting on skin homeostasis are proposed. The most promising skin and gut-derived microbiome interventional strategies are presented, along with regulatory, safety, industrial, and technical challenges related to a successful translation of these microbiome-based concepts/technologies in the dermo-cosmetic industry.
New Pharmacokinetic and Microbiological Prediction Equations to Be Used as Models for the Search of Antibacterial Drugs
Authors: Bueso-Bordils Jose I. , Antón-Fos Gerardo M. , Falcó Antonio , Duart Maria J. , Martín-Algarra Rafael , Alemán-López Pedro A.
Published: January 2022

Currently, the development of resistance of Enterobacteriaceae bacteria is one of the most important health problems worldwide. Consequently, there is a growing urge for finding new compounds with antibacterial activity. Furthermore, it is very important to find antibacterial compounds with a good pharmacokinetic profile too, which will lead to more efficient and safer drugs. In this work, we have mathematically described a series of antibacterial quinolones by means of molecular topology. We have used molecular descriptors and related them to various pharmacological properties by using multilinear regression (MLR) analysis. The regression functions selected by presenting the best combination of a number of quality and validation metrics allowed for the reliable prediction of clearance (CL), and minimum inhibitory concentration 50 against Enterobacter aerogenes (MIC50Ea) and Proteus mirabilis (MIC50Pm). The obtained results clearly reveal that the combination of molecular topology methods and MLR provides an excellent tool for the prediction of pharmacokinetic properties and microbiological activities in both new and existing compounds with different pharmacological activities.