bluuebunny/crossref_metadata_2025 huggingface dataset:
Antiviral Activities of Algal-Based Sulfated Polysaccharides
Authors: Panggabean Jonathan Ardhianto , Adiguna Sya’ban Putra , Rahmawati Siti Irma , Ahmadi Peni , Zainuddin Elmi Nurhaidah , Bayu Asep , Putra Masteria Yunovilsa
Published: February 2022

An antiviral agent is urgently needed based on the high probability of the emergence and re-emergence of future viral disease, highlighted by the recent global COVID-19 pandemic. The emergence may be seen in the discovery of the Alpha, Beta, Gamma, Delta, and recently discovered Omicron variants of SARS-CoV-2. The need for strategies besides testing and isolation, social distancing, and vaccine development is clear. One of the strategies includes searching for an antiviral agent that provides effective results without toxicity, which is well-presented by significant results for carrageenan nasal spray in providing efficacy against human coronavirus-infected patients. As the primary producer of sulfated polysaccharides, marine plants, including macro- and microalgae, offer versatility in culture, production, and post-isolation development in obtaining the needed antiviral agent. Therefore, this review will describe an attempt to highlight the search for practical and safe antiviral agents from algal-based sulfated polysaccharides and to unveil their features for future development.
Evaluation of Phoma sp. Biomass as an Endophytic Fungus for Synthesis of Extracellular Gold Nanoparticles with Antibacterial and Antifungal Properties
Authors: Soltani Nejad Meysam , Samandari Najafabadi Neda , Aghighi Sonia , Pakina Elena , Zargar Meisam
Published: February 2022

The aim of our study was to examine the different concentrations of AuNPs as a new antimicrobial substance to control the pathogenic activity. The extracellular synthesis of AuNPs performed by using Phoma sp. as an endophytic fungus. Endophytic fungus was isolated from vascular tissue of peach trees (Prunus persica) from Baft, located in Kerman province, Iran. The UltraViolet-Visible Spectroscopy (UV–Vis spectroscopy) and Fourier transform infrared spectroscopy provided the absorbance peak at 526 nm, while the X-ray diffraction and transmission electron microscopy images released the formation of spherical AuNPs with sizes in the range of 10–100 nm. The findings of inhibition zone test of Au nanoparticles (AuNPs) showed a desirable antifungal and antibacterial activity against phytopathogens including Rhizoctonia solani AG1-IA (AG1-IA has been identified as the dominant anastomosis group) and Xanthomonas oryzae pv. oryzae. The highest inhibition level against sclerotia formation was 93% for AuNPs at a concentration of 80 μg/mL. Application of endophytic fungus biomass for synthesis of AuNPs is relatively inexpensive, single step and environmentally friendly. In vitro study of the antifungal activity of AuNPs at concentrations of 10, 20, 40 and 80 μg/mL was conducted against rice fungal pathogen R. solani to reduce sclerotia formation. The experimental data revealed that the Inhibition rate (RH) for sclerotia formation was (15, 33, 74 and 93%), respectively, for their corresponding AuNPs concentrations (10, 20, 40 and 80 μg/mL). Our findings obviously indicated that the RH strongly depend on AuNPs rates, and enhance upon an increase in AuNPs rates. The application of endophytic fungi biomass for green synthesis is our future goal.
Cytotoxic Polyhydroxylated Oleanane Triterpenoids from Cissampelos pareira var. hirsuta
Authors: Sun Yanjun , Pan Ruyi , Chen Haojie , Zhao Chen , Han Ruijie , Li Meng , Xue Guimin , Chen Hui , Du Kun , Wang Junmin , Feng Weisheng
Published: February 2022

Three new polyhydroxylated oleanane triterpenoids, cissatriterpenoid A−C (1−3), along with one known analogue (4), were isolated from the whole plant of Cissampelos pareira var. hirsuta. Their chemical structures were elucidated by extensive spectroscopic data (IR, HR-ESI-MS, 1H-NMR, 13C-NMR, DEPT, 1H-1H COSY, HSQC, HMBC, NOESY) and the microhydrolysis method. The isolation of compounds 1–4 represents the first report of polyhydroxylated oleanane triterpenoids from the family Menispermaceae. All isolated compounds were evaluated for their cytotoxicity against five human cancer cell lines, and the inhibitory activity against NO release in LPS-induced RAW 264.7 cells. Compound 3 showed the most potent cytotoxic activities against the A549, SMMC-7721, MCF-7, and SW480 cell lines, with IC50 values of 17.55, 34.74, 19.77, and 30.39 μM, respectively, whereas three remaining ones were found to be inactive. The preliminary structure–activity relationship analysis indicated that the γ-lactone ring at C-22 and C-29, and the olefinic bond at C-12 and C-13 were structurally required for the cytotoxicity of polyhydroxylated oleanane triterpenoids against these four cell lines. Based on lipid-water partition coefficients, compound 3 is less lipophilic than 1 and 4, which agrees with their cytotoxic activities. This confirms the potential of C. pareira var. hirsuta in the tumor treatment.
Nanomaterial Probes for Nuclear Imaging
Authors: Phua Vanessa Jing Xin , Yang Chang-Tong , Xia Bin , Yan Sean Xuexian , Liu Jiang , Aw Swee Eng , He Tao , Ng David Chee Eng
Published: February 2022

Nuclear imaging is a powerful non-invasive imaging technique that is rapidly developing in medical theranostics. Nuclear imaging requires radiolabeling isotopes for non-invasive imaging through the radioactive decay emission of the radionuclide. Nuclear imaging probes, commonly known as radiotracers, are radioisotope-labeled small molecules. Nanomaterials have shown potential as nuclear imaging probes for theranostic applications. By modifying the surface of nanomaterials, multifunctional radio-labeled nanomaterials can be obtained for in vivo biodistribution and targeting in initial animal imaging studies. Various surface modification strategies have been developed, and targeting moieties have been attached to the nanomaterials to render biocompatibility and enable specific targeting. Through integration of complementary imaging probes to a single nanoparticulate, multimodal molecular imaging can be performed as images with high sensitivity, resolution, and specificity. In this review, nanomaterial nuclear imaging probes including inorganic nanomaterials such as quantum dots (QDs), organic nanomaterials such as liposomes, and exosomes are summarized. These new developments in nanomaterials are expected to introduce a paradigm shift in nuclear imaging, thereby creating new opportunities for theranostic medical imaging tools.
Chitosan-Crosslinked Low Molecular Weight PEI-Conjugated Iron Oxide Nanoparticle for Safe and Effective DNA Delivery to Breast Cancer Cells
Authors: Lin Guanyou , Huang Jianxi , Zhang Mengyuan , Chen Shanshan , Zhang Miqin
Published: February 2022

Breast cancer has attracted tremendous research interest in treatment development as one of the major threats to public health. The use of non-viral carriers for therapeutic DNA delivery has shown promise in treating various cancer types, including breast cancer, due to their high DNA loading capacity, high cell transfection efficiency, and design versatility. However, cytotoxicity and large sizes of non-viral DNA carriers often raise safety concerns and hinder their applications in the clinic. Here we report the development of a novel nanoparticle formulation (termed NP-Chi-xPEI) that can safely and effectively deliver DNA into breast cancer cells for successful transfection. The nanoparticle is composed of an iron oxide core coated with low molecular weight (800 Da) polyethyleneimine crosslinked with chitosan via biodegradable disulfide bonds. The NP-Chi-xPEI can condense DNA into a small nanoparticle with the overall size of less than 100 nm and offer full DNA protection. Its biodegradable coating of small-molecular weight xPEI and mildly positive surface charge confer extra biocompatibility. NP-Chi-xPEI-mediated DNA delivery was shown to achieve high transfection efficiency across multiple breast cancer cell lines with significantly lower cytotoxicity as compared to the commercial transfection agent Lipofectamine 3000. With demonstrated favorable physicochemical properties and functionality, NP-Chi-xPEI may serve as a reliable vehicle to deliver DNA to breast cancer cells.
Glycine- and Alanine-Intercalated Layered Double Hydroxides as Highly Efficient Adsorbents for Phosphate with Kinetic Advantages
Authors: Zhang Qian , Ji Fangying , Jiang Lei , Shen Qiushi , Mao Yuanxiang , Liu Caocong
Published: February 2022

Phosphate is the main cause of eutrophication. Layered double hydroxides (LDH) are considered to be promising phosphate adsorbents due to their high affinity and large capacity. In this study, we partially intercalated zwitterionic glycine and alanine into Cl-LDH (corresponding to MgAl-LDH with interlayer anion Cl−) and synthesized efficient inorganic–organic nanohybrids for phosphate removal with kinetic advantages. Gly-Cl-LDH, Ala-Cl-LDH and Cl-LDH were characterized, and their phosphate adsorption performances under the influence of environment factors (e.g., solution pH, coexisting anions, contact time and phosphate concentration) were investigated. The results show that Gly-Cl-LDH and Ala-Cl-LDH had larger specific surface areas and larger interlayer spaces than Cl-LDH, and exhibited better adsorption performance at a lower pH and better adsorption selectivity against SO42−. Kinetic experiments indicated that Gly-Cl-LDH and Ala-Cl-LDH can reduce phosphate concentrations to a lower level in a shorter time. The pseudo-second-order kinetic constants of Gly-Cl-LDH and Ala-Cl-LDH were 1.27 times and 3.17 times of Cl-LDH, respectively (R2 > 0.996). The maximum adsorption capacities derived from a Langmuir model of Cl-LDH, Gly-Cl-LDH and Ala-Cl-LDH are 63.2 mg-P/L, 55.8 mg-P/L and 58.2 mg-P/L, respectively, which showed superiority over the prevailing phosphate adsorbents. This research provides highly efficient adsorbents for removing phosphate from aqueous solutions.
Methods for Measuring Thermal Conductivity of Two-Dimensional Materials: A Review
Authors: Dai Huanyu , Wang Ridong
Published: February 2022

Two-dimensional (2D) materials are widely used in microelectronic devices due to their excellent optical, electrical, and mechanical properties. The performance and reliability of microelectronic devices based 2D materials are affected by heat dissipation performance, which can be evaluated by studying the thermal conductivity of 2D materials. Currently, many theoretical and experimental methods have been developed to characterize the thermal conductivity of 2D materials. In this paper, firstly, typical theoretical methods, such as molecular dynamics, phonon Boltzmann transport equation, and atomic Green’s function method, are introduced and compared. Then, experimental methods, such as suspended micro-bridge, 3ω, time-domain thermal reflectance and Raman methods, are systematically and critically reviewed. In addition, the physical factors affecting the thermal conductivity of 2D materials are discussed. At last, future prospects for both theoretical and experimental thermal conductivity characterization of 2D materials is given. This paper provides an in-depth understanding of the existing thermal conductivity measurement methods of 2D materials, which has guiding significance for the application of 2D materials in micro/nanodevices.
Simulating and Predicting Adsorption of Organic Pollutants onto Black Phosphorus Nanomaterials
Authors: Su Lihao , Wang Ya , Wang Zhongyu , Zhang Siyu , Xiao Zijun , Xia Deming , Chen Jingwen
Published: February 2022

Layered black phosphorus (BP) has exhibited exciting application prospects in diverse fields. Adsorption of organics onto BP may influence environmental behavior and toxicities of both organic pollutants and BP nanomaterials. However, contributions of various intermolecular interactions to the adsorption remain unclear, and values of adsorption parameters such as adsorption energies (Ead) and adsorption equilibrium constants (K) are lacking. Herein, molecular dynamic (MD) and density functional theory (DFT) was adopted to calculate Ead and K values. The calculated Ead and K values for organics adsorbed onto graphene were compared with experimental ones, so as to confirm the reliability of the calculation methods. Polyparameter linear free energy relationship (pp-LFER) models on Ead and logK were developed to estimate contributions of different intermolecular interactions to the adsorption. The adsorption in the gaseous phase was found to be more favorable than in the aqueous phase, as the adsorbates need to overcome cohesive energies of water molecules onto BP. The affinity of the aromatics to BP was comparable to that of graphene. The pp-LFER models performed well for predicting the Ead and K values, with external explained variance ranging from 0.90 to 0.97, and can serve as effective tools to rank adsorption capacities of organics onto BP.
Optimization of Gate-All-Around Device to Achieve High Performance and Low Power with Low Substrate Leakage
Authors: Yoo Changhyun , Chang Jeesoo , Park Sugil , Kim Hyungyeong , Jeon Jongwook
Published: February 2022

In this study on multi-nanosheet field-effect transistor (mNS-FET)—one of the gate-all-around FETs (GAAFET) in the 3 nm technology node dimension—3D TCAD (technology computer-aided design) was used to attain optimally reduced substrate leakage from options including a punch-through-stopper (PTS) doping scheme and a bottom oxide (BO) scheme for bottom isolation, with the performance improvement being shown in the circuit-level dynamic operation using the mNS-FET. The PTS doping concentration requires a high value of >5 × 1018 cm−3 to reduce gate induced drain leakage (GIDL), regardless of the presence or absence of the bottom isolation layer. When the bottom isolation is applied together with the PTS doping scheme, the capacitance reduction is larger than the on-state current reduction, as compared to when only the PTS doping concentration is applied. The effects of such transistor characteristics on the performance and capabilities of various circuit types—such as an inverter ring oscillator (RO), a full adder (FA) circuit, and a static random-access memory (SRAM)—were assessed. For the RO, applying BO along with the PTS doping allows the operating speed to be increased by 11.3% at the same power, or alternatively enables 26.4% less power consumption at the same speed. For the FA, power can be reduced by 6.45%, energy delay product (EDP) by 21.4%, and delay by 16.8% at the same standby power when BO and PTS are both applied. Finally, for the SRAM, read current (IREAD) increased by 18.7% and bit-line write margin (BWRM) increased by 12.5% at the same standby power. Through the circuit simulations, the Case 5 model (PTS doping concentration: 5.1 × 1018 cm−3, with BO) is the optimum condition for the best device and circuit performance. These observations confirm that PTS and bottom isolation applications in mNS-FETs can be utilized to enable the superior characteristics of such transistors to translate into high performance integrated circuits.
Recent Advances on Hybrid Piezo-Triboelectric Bio-Nanogenerators: Materials, Architectures and Circuitry
Authors: Mariello Massimo
Published: February 2022

Nanogenerators, based on piezoelectric or triboelectric materials, have emerged in the recent years as an attractive cost-effective technology for harvesting energy from renewable and clean energy sources, but also for human sensing and biomedical wearable/implantable applications. Advances in materials engineering have enlightened new opportunities for the creation and use of novel biocompatible soft materials as well as micro/nano-structured or chemically-functionalized interfaces. Hybridization is a key concept that can be used to enhance the performances of the single devices, by coupling more transducing mechanisms in a single-integrated micro-system. It has attracted plenty of research interest due to the promising effects of signal enhancement and simultaneous adaptability to different operating conditions. This review covers and classifies the main types of hybridization of piezo-triboelectric bio-nanogenerators and it also provides an overview of the most recent advances in terms of material synthesis, engineering applications, power-management circuits and technical issues for the development of reliable implantable devices. State-of-the-art applications in the fields of energy harvesting, in vitro/in vivo biomedical sensing, implantable bioelectronics are outlined and presented. The applicative perspectives and challenges are finally discussed, with the aim to suggest improvements in the design and implementation of next-generation hybrid bio-nanogenerators and biosensors.
Pre-Administration of Berberine Exerts Chemopreventive Effects in AOM/DSS-Induced Colitis-Associated Carcinogenesis Mice via Modulating Inflammation and Intestinal Microbiota
Authors: Deng Jiaqiang , Zhao Lili , Yuan Xieyong , Li Yan , Shi Junyang , Zhang Hua , Zhao Yuxuan , Han Liping , Wang Huani , Yan Yan , Zhao Hong , Wang Haojie , Zou Fangdong
Published: February 2022

Inflammatory activation and intestinal flora imbalance play an essential role in the development and progression of colorectal cancer (CRC). Berberine (BBR) has attracted great attention in recent years due to its heath-related benefits in inflammatory disorders and tumors, but the intricate mechanisms have not been fully elucidated. In this study, the effects and the mechanism of BBR on colon cancer were investigated in an azoxymethane (AOM)/dextran sodium sulfate (DSS)-induced colitis-associated carcinogenesis mice model. Our results showed that pre-administration of BBR showed a decrease in weight loss, disease activity index (DAI) score, and the number of colon tumors in mice, compared with the model group. The evidence from pathological examination indicated that the malignancy of intestinal tumors was ameliorated after pre-administration of BBR. Additionally, pre-administration with BBR suppressed the expression of pro-inflammatory factors (interleukin (IL)-6, IL-1β, cyclooxygenase (COX)-2 and tumor necrosis factor (TNF)-α) and the cell-proliferation marker Ki67, while expression of the tight junction proteins (ZO-1 and occludin) were increased in colon tissue. Moreover, the levels of critical pathway proteins involved in the inflammatory process (p-STAT3 and p-JNK) and cell cycle regulation molecules (β-catenin, c-Myc and CylinD1) exhibited lower expression levels. Besides, 16S rRNA sequence analysis indicated that pre-administration of BBR increased the ratio of Firmicutes/Bacteroidetes (F:M) and the relative abundance of potentially beneficial bacteria, while the abundance of cancer-related bacteria was decreased. Gavage with Lactobacillus rhamnosus can improve the anti-tumor effect of BBR. Overall, pre-administration of BBR exerts preventive effects in colon carcinogenesis, and the mechanisms underlying these effects are correlated with the inhibition of inflammation and tumor proliferation and the maintenance of intestinal homeostasis.
What Works to Improve Nutrition and Food Sustainability across the First 2000 Days of Life: A Rapid Review
Authors: Laws Rachel , Adam Megan , Esdaile Emma , Love Penelope , Campbell Karen J.
Published: February 2022

Informed by the Innocenti framework, this rapid review of systematic reviews (n = 60) and sentinel grey literature (n = 27) synthesises the evidence of what works to improve nutrition and food sustainability across the first 2000 days. Most systematic reviews focused on interventions targeting the behaviour of parents and caregivers (n = 49), with fewer reviews focusing on the personal (n = 7) and external (n = 4) food environments. No reviews focused on food supply-chain activities. Most reviews were rated as critically low (n = 28, 47%) or low (n = 21, 35%) quality using AMSTAR 2. Evidence supports the effectiveness of multi-component breastfeeding interventions, interventions delivered in home and child-care settings, particularly when involving parents, interactive skill building and repeated exposure to vegetables. Food vouchers and access to local farmers markets and community gardens have potential for improving access and availability to healthier foods, while evidence supports interventions improving the external food environment, including fiscal strategies such as the SSB tax, restrictions on marketing and advertising of discretionary products and improved food labelling. Overall, this review highlights the importance of action across a range of settings and sectors at the international, national and local levels to improve young children’s diets.
Dietary Natural Compounds and Vitamins as Potential Cofactors in Uterine Fibroids Growth and Development
Authors: Szydłowska Iwona , Nawrocka-Rutkowska Jolanta , Brodowska Agnieszka , Marciniak Aleksandra , Starczewski Andrzej , Szczuko Małgorzata
Published: February 2022

An analysis of the literature generated within the past 20 year-span concerning risks of uterine fibroids (UFs) occurrence and dietary factors was carried out. A link between Vitamin D deficiency and UFs formation is strongly indicated, making it a potent compound in leiomyoma therapy. Analogs of the 25-hydroxyvitamin D3, not susceptible to degradation by tissue 24-hydroxylase, appear to be especially promising and tend to show better therapeutic results. Although research on the role of Vitamin A in the formation of fibroids is contradictory, Vitamin A-enriched diet, as well as synthetic retinoid analogues, may be preventative or limit the growth of fibroids. Unambiguous conclusions cannot be drawn regarding Vitamin E and C supplementation, except for alpha-tocopherol. Alpha-tocopherol as a phytoestrogen taking part in the modulation of estrogen receptors (ERs) involved in UF etiology, should be particularly avoided in therapy. A diet enriched in fruits and vegetables, as sources of carotenoids, polyphenols, quercetin, and indole-3-carbinol, constitutes an easily modifiable lifestyle element with beneficial results in patients with UFs. Other natural substances, such as curcumin, can reduce the oxidative stress and protect against inflammation in leiomyoma. Although the exact effect of probiotics on uterine fibroids has not yet been thoroughly evaluated at this point, the protective role of dairy products, i.e., yogurt consumption, has been indicated. Trace elements such as selenium can also contribute to antioxidative and anti-inflammatory properties of a recommended diet. In contrast, heavy metals, endocrine disrupting chemicals, cigarette smoking, and a diet low in antioxidants and fiber were, alongside genetic predispositions, associated with UFs formation.
The Impact of Preconception Gastric Bypass Surgery on Maternal Micronutrient Status before and during Pregnancy: A Retrospective Cohort Study in the Netherlands between 2009 and 2019
Authors: Snoek Katinka , van de Woestijne Nadia , Willemsen Sten , Klaassen René , Galjaard Sander , Laven Joop , Steegers-Theunissen Régine , Schoenmakers Sam
Published: February 2022

Post-bariatric weight loss can cause iatrogenic malnutrition and micronutrient depletion. In this study, we evaluated the impact of gastric bypass surgery (GB) and multivitamin supplement use on maternal micronutrient status before and across pregnancy. A retrospective medical chart review of 197 singleton pregnancies after GB with a due date between 2009 and 2019 was performed at a bariatric expertise center in the Netherlands. Hemoglobin, calcium, iron status, folate, vitamin D, vitamin B12 and ferritin levels were determined before and after GB during standard follow-up and at all gestational trimesters and analyzed using linear mixed models. Patients were prescribed standard multivitamin supplements or multivitamins specifically developed for post-bariatric patients (FitForMe WLS Forte (FFM)). Overall, hemoglobin and calcium levels decreased after surgery and during pregnancy, whereas folate, vitamin D, and vitamin B12 levels increased, and iron levels remained stable. FFM use was associated with higher hemoglobin, folate, vitamin D, and ferritin levels. In conclusion, through adequate supplementation and follow-up, GB does not have to result in impaired micronutrient status. Supplements developed specifically for post-bariatric patients generally result in higher micronutrient values than regular multivitamins before and during pregnancy. These data emphasize the urgent need for nutritional counseling including dietary and multivitamin supplement advise for post-bariatric women contemplating and during pregnancy.
13C NMR Spectroscopic Studies of Intra- and Intermolecular Interactions of Amino Acid Derivatives and Peptide Derivatives in Solutions
Authors: Hiraga Yoshikazu , Chaki Saori , Uyama Yuri , Hoshide Ryosuke , Karaki Takumi , Nagata Daisuke , Yoshimoto Kanji , Niwayama Satomi
Published: February 2022

13C NMR spectroscopic investigations were conducted for various amino acid derivatives and peptides. It was observed that 13C NMR chemical shifts of the carbonyl carbons are correlated with the solvent polarities, but the extent depends on the structures. The size of the functional groups and inter- and intra-molecular hydrogen bonding appear to be the major contributors for this tendency.
A Lead-Based Fragment Library Screening of the Glycosyltransferase WaaG from Escherichia coli
Authors: Riu Federico , Ruda Alessandro , Engström Olof , Muheim Claudio , Mobarak Hani , Ståhle Jonas , Kosma Paul , Carta Antonio , Daley Daniel O. , Widmalm Göran
Published: February 2022

Glucosyl transferase I (WaaG) in E. coli catalyzes the transfer of an α-d-glucosyl group to the inner core of the lipopolysaccharide (LPS) and plays an important role in the biogenesis of the outer membrane. If its activity could be inhibited, the integrity of the outer membrane would be compromised and the bacterium would be susceptible to antibiotics that are normally prevented from entering the cell. Herein, three libraries of molecules (A, B and C) were docked in the binding pocket of WaaG, utilizing the docking binding affinity as a filter to select fragment-based compounds for further investigations. From the results of the docking procedure, a selection of compounds was investigated by molecular dynamics (MD) simulations to obtain binding free energy (BFE) and KD values for ligands as an evaluation for the binding to WaaG. Derivatives of 1,3-thiazoles (A7 and A4) from library A and 1,3,4-thiadiazole (B33) from library B displayed a promising profile of BFE, with KD < mM, viz., 0.11, 0.62 and 0.04 mM, respectively. Further root-mean-square-deviation (RMSD), electrostatic/van der Waals contribution to the binding and H-bond interactions displayed a favorable profile for ligands A4 and B33. Mannose and/or heptose-containing disaccharides C1–C4, representing sub-structures of the inner core of the LPS, were also investigated by MD simulations, and compound C42− showed a calculated KD = 0.4 µM. In the presence of UDP-Glc2−, the best-docked pose of disaccharide C42− is proximate to the glucose-binding site of WaaG. A study of the variation in angle and distance was performed on the different portions of WaaG (N-, the C- domains and the hinge region). The Spearman correlation coefficient between the two variables was close to unity, where both variables increase in the same way, suggesting a conformational rearrangement of the protein during the MD simulation, revealing molecular motions of the enzyme that may be part of the catalytic cycle. Selected compounds were also analyzed by Saturation Transfer Difference (STD) NMR experiments. STD effects were notable for the 1,3-thiazole derivatives A4, A8 and A15 with the apo form of the protein as well as in the presence of UDP for A4.
Mesenchymal Stem/Stromal Cells and Their Paracrine Activity—Immunomodulation Mechanisms and How to Influence the Therapeutic Potential
Authors: Alvites Rui , Branquinho Mariana , Sousa Ana C. , Lopes Bruna , Sousa Patrícia , Maurício Ana Colette
Published: February 2022

With high clinical interest to be applied in regenerative medicine, Mesenchymal Stem/Stromal Cells have been widely studied due to their multipotency, wide distribution, and relative ease of isolation and expansion in vitro. Their remarkable biological characteristics and high immunomodulatory influence have opened doors to the application of MSCs in many clinical settings. The therapeutic influence of these cells and the interaction with the immune system seems to occur both directly and through a paracrine route, with the production and secretion of soluble factors and extracellular vesicles. The complex mechanisms through which this influence takes place is not fully understood, but several functional manipulation techniques, such as cell engineering, priming, and preconditioning, have been developed. In this review, the knowledge about the immunoregulatory and immunomodulatory capacity of MSCs and their secretion products is revisited, with a special focus on the phenomena of migration and homing, direct cell action and paracrine activity. The techniques for homing improvement, cell modulation and conditioning prior to the application of paracrine factors were also explored. Finally, multiple assays where different approaches were applied with varying success were used as examples to justify their exploration.
Nanotechnology as a Versatile Tool for 19F-MRI Agent’s Formulation: A Glimpse into the Use of Perfluorinated and Fluorinated Compounds in Nanoparticles
Authors: Joseph Joice Maria , Gigliobianco Maria Rosa , Firouzabadi Bita Mahdavi , Censi Roberta , Di Martino Piera
Published: February 2022

Simultaneously being a non-radiative and non-invasive technique makes magnetic resonance imaging (MRI) one of the highly sought imaging techniques for the early diagnosis and treatment of diseases. Despite more than four decades of research on finding a suitable imaging agent from fluorine for clinical applications, it still lingers as a challenge to get the regulatory approval compared to its hydrogen counterpart. The pertinent hurdle is the simultaneous intrinsic hydrophobicity and lipophobicity of fluorine and its derivatives that make them insoluble in any liquids, strongly limiting their application in areas such as targeted delivery. A blossoming technique to circumvent the unfavorable physicochemical characteristics of perfluorocarbon compounds (PFCs) and guarantee a high local concentration of fluorine in the desired body part is to encapsulate them in nanosystems. In this review, we will be emphasizing different types of nanocarrier systems studied to encapsulate various PFCs and fluorinated compounds, headway to be applied as a contrast agent (CA) in fluorine-19 MRI (19F MRI). We would also scrutinize, especially from studies over the last decade, the different types of PFCs and their specific applications and limitations concerning the nanoparticle (NP) system used to encapsulate them. A critical evaluation for future opportunities would be speculated.
Tunable Triple Plasmonically Induced Transparency in Triangular Cavities Coupled with an MDM Waveguide
Authors: Zhang Jingyu , Feng Hengli , Liu Chang , Fang Dongchao , Wang Jincheng , Wang Lehui , Zhang Zuoxin , Ran Lingling , Gao Yang
Published: February 2022

In this paper, a side-coupled triangle cavity in a plasmonic waveguide structure is proposed and numerically analyzed by the finite-difference time-domain (FDTD) method and coupled mode theory (CMT). Triple plasmonically induced transparency (PIT) was achieved when an extra triangle was added into the structure, and the transmission characteristics were investigated. This novel structure has a maximal sensitivity of 933 nm/RIU when used as a sensor and a contrast ratio of 4 dB. Moreover, the tunability of PIT can be realized by filling the nematic liquid crystal (NLC) E7 into the triangles. The refractive index of E7 changes with the applied electric field. Given that E7 is also sensitive to temperature, this structure can be used as a temperature sensor with a sensitivity of 0.29 nm/°C. It is believed that this tunable structure with PIT may have potential applications in highly integrated optical circuits.
Metals Induce Genotoxicity in Three Cardoon Cultivars: Relation to Metal Uptake and Distribution in Extra- and Intracellular Fractions
Authors: Sorrentino Maria Cristina , Giordano Simonetta , Capozzi Fiore , Spagnuolo Valeria
Published: February 2022

Heavy metal-polluted soil represents an important stress condition for plants. Several studies demonstrated that growth inhibition under metal stress and metal-induced damages, including genotoxicity, is particularly pronounced at the early stages of seedling growth. Moreover, it is reported that heavy metals enter the cytoplasm to exert their detrimental effect, including DNA damage. In this work, we estimated (i) metal-induced genotoxicity by ISSR molecular markers and (ii) the distribution of the metal fractions between symplast and apoplast by EDTA washing, in three cultivars of Cynara cardunculus var. altilis (L.) DC (Sardo, Siciliano, and Spagnolo), grown in hydroponics for 15 days with Cd or Pb: In line with the literature, in all cultivars, the genotoxic damage induced by Pb was more severe compared to Cd. However, a cultivar-specific response was evidenced since Spagnolo showed, under metal stress, a significantly higher genome template stability compared to the other examined cultivars. The lower genotoxicity observed in Spagnolo could depend on the lower intracellular metal concentration measured in this cultivar by chemical analysis. Accordingly, light microscopy highlighted that Spagnolo developed smaller and more numerous epidermal cells under metal stress; these cells would provide a larger wall surface offering a wider metal sequestration compartment in the apoplast.
A Generalized Regression Neural Network Model for Predicting the Curing Characteristics of Carbon Black-Filled Rubber Blends
Authors: Kopal Ivan , Labaj Ivan , Vršková Juliána , Harničárová Marta , Valíček Jan , Ondrušová Darina , Krmela Jan , Palková Zuzana
Published: February 2022

In this study, a new generalized regression neural network model for predicting the curing characteristics of rubber blends with different contents of carbon black filler cured at various temperatures is proposed for the first time The carbon black contents in the rubber blend and cure temperature were used as input parameters, while the minimum and maximum elastic torque, scorch time, and optimal cure time, obtained from the analysis of 11 rheological cure curves registered at 10 various temperatures, were considered as output parameters of the model. A special pre-processing procedure of the experimental input and target data and the training algorithm is described. Less than 55% of the experimental data were used to significantly reduce the total number of input and target data points needed for training the model. Satisfactory agreement between the predicted and experimental data, with a maximum error in the prediction not exceeding 5%, was found. It is concluded that the generalized regression neural network is a powerful tool for intelligently modelling the curing process of rubber blends even in the case of a small dataset, and it can find a wide range of practical applications in the rubber industry.
Sequential Infiltration Synthesis into Maltoheptaose and Poly(styrene): Implications for Sub-10 nm Pattern Transfer
Authors: Löfstrand Anette , Vorobiev Alexei , Mumtaz Muhammad , Borsali Redouane , Maximov Ivan
Published: February 2022

Vapor phase infiltration into a self-assembled block copolymer (BCP) to create a hybrid material in one of the constituent blocks can enhance the etch selectivity for pattern transfer. Multiple pulse infiltration into carbohydrate-based high-χ BCP has previously been shown to enable sub-10 nm feature pattern transfer. By optimizing the amount of infiltrated material, the etch selectivity should be further improved. Here, an investigation of semi-static sequential infiltration synthesis of trimethyl aluminum (TMA) and water into maltoheptaose (MH) films, and into hydroxyl-terminated poly(styrene) (PS-OH) films, was performed, by varying the process parameters temperature, precursor pulse duration, and precursor exposure length. It was found that, by decreasing the exposure time from 100 to 20 s, the volumetric percentage on included pure Al2O3 in MH could be increased from 2 to 40 vol% at the expense of a decreased infiltration depth. Furthermore, the degree of infiltration was minimally affected by temperature between 64 and 100 °C. Shorter precursor pulse durations of 10 ms TMA and 5 ms water, as well as longer precursor pulses of 75 ms TMA and 45 ms water, were both shown to promote a higher degree, 40 vol%, of infiltrated alumina in MH. As proof of concept, 12 nm pitch pattern transfer into silicon was demonstrated using the method and can be concluded to be one of few studies showing pattern transfer at such small pitch. These results are expected to be of use for further understanding of the mechanisms involved in sequential infiltration synthesis of TMA/water into MH, and for further optimization of carbohydrate-based etch masks for sub-10 nm pattern transfer. Enabling techniques for high aspect ratio pattern transfer at the single nanometer scale could be of high interest, e.g., in the high-end transistor industry.
Mixed Matrix Membranes for Efficient CO2 Separation Using an Engineered UiO-66 MOF in a Pebax Polymer
Authors: Husna Asmaul , Hossain Iqubal , Jeong Insu , Kim Tae-Hyun
Published: February 2022

Mixed matrix membranes (MMMs) have attracted significant attention for overcoming the limitations of traditional polymeric membranes for gas separation through the improvement of both permeability and selectivity. However, the development of defect-free MMMs remains challenging due to the poor compatibility of the metal–organic framework (MOF) with the polymer matrix. Thus, we report a surface-modification strategy for a MOF through grafting of a polymer with intrinsic microporosity onto the surface of UiO-66-NH2. This method allows us to engineer the MOF–polymer interface in the MMMs using Pebax as a support. The insertion of a PIM structure onto the surface of UiO-66-NH2 provides additional molecular transport channels and enhances the CO2 transport by increasing the compatibility between the polymer and fillers for efficient gas separation. As a result, MMM with 1 wt% loading of PIM-grafted-MOF (PIM-g-MOF) exhibited very promising separation performance, with CO2 permeability of 247 Barrer and CO2/N2 selectivity of 56.1, which lies on the 2008 Robeson upper bound. Moreover, this MMM has excellent anti-aging properties for up to 240 days and improved mechanical properties (yield stress of 16.08 MPa, Young’s modulus of 1.61 GPa, and 596.5% elongation at break).
Paclitaxel Drug Delivery Systems: Focus on Nanocrystals’ Surface Modifications
Authors: Haddad Razan , Alrabadi Nasr , Altaani Bashar , Li Tonglei
Published: February 2022

Paclitaxel (PTX) is a chemotherapeutic agent that belongs to the taxane family and which was approved to treat various kinds of cancers including breast cancer, ovarian cancer, advanced non-small-cell lung cancer, and acquired immunodeficiency syndrome (AIDS)-related Kaposi’s sarcoma. Several delivery systems for PTX have been developed to enhance its solubility and pharmacological properties involving liposomes, nanoparticles, microparticles, micelles, cosolvent methods, and the complexation with cyclodextrins and other materials that are summarized in this article. Specifically, this review discusses deeply the developed paclitaxel nanocrystal formulations. As PTX is a hydrophobic drug with inferior water solubility properties, which are improved a lot by nanocrystal formulation. Based on that, many studies employed nano-crystallization techniques not only to improve the oral delivery of PTX, but IV, intraperitoneal (IP), and local and intertumoral delivery systems were also developed. Additionally, superior and interesting properties of PTX NCs were achieved by performing additional modifications to the NCs, such as stabilization with surfactants and coating with polymers. This review summarizes these delivery systems by shedding light on their route of administration, the methods used in the preparation and modifications, the in vitro or in vivo models used, and the advantages obtained based on the developed formulations.
Alginate-Induced Disease Resistance in Plants
Authors: Saberi Riseh Roohallah , Gholizadeh Vazvani Mozhgan , Ebrahimi-Zarandi Marzieh , Skorik Yury A.
Published: February 2022

Plants are continuously exposed to a wide range of pathogens, including fungi, bacteria, nematodes, and viruses; therefore, survival under these conditions requires a sophisticated defense system. The activation of defense responses and related signals in plants is regulated mainly by the hormones salicylic acid, jasmonic acid, and ethylene. Resistance to pathogen infection can be induced in plants by various biotic and abiotic agents. For many years, the use of abiotic plant resistance inducers has been considered in integrated disease management programs. Recently, natural inducer compounds, such as alginates, have become a focus of interest due to their environmentally friendly nature and their ability to stimulate plant defense mechanisms and enhance growth. Polysaccharides and the oligosaccharides derived from them are examples of eco-compatible compounds that can enhance plant growth while also inducing plant resistance against pathogens and triggering the expression of the salicylic acid-dependent defense pathway.
Functional Microfiber Nonwoven Fabric with Sialic Acid-Immobilized Polymer Brush for Capturing Lectin in Aerosol
Authors: Kim Yung-Yoon , Sagara Kanta , Uezu Kazuya
Published: February 2022

The influenza virus has been known as a representative infectious virus that harms human health from the past to the present day. We have promoted the development of a novel adsorbent capable of adsorbing influenza viruses in the form of aerosols in the air. In this study, to develop a material to adsorb the influenza virus, a functional group was introduced into a microfiber nonwoven fabric (MNWF) manufactured through radiation-induced graft polymerization (RIGP), and sialic acid was immobilized to mimic the sugar chain cluster effect. The functional group was used by coupling disodium iminodiacetate monohydrate (IDA) and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC), and N-acetylneuraminic acid (NANA) was selected for sialic acid. IDA-EDC was introduced into GMA MNWF with an average molar conversion of 47%. For NANA MNWF with a degree of grafting (dg) of 87% introduced with sialic acid, 118.2 of 200 µg of aerosolized lectin was adsorbed, confirming that the maximum adsorption amount was 59.1%. In NANA MNWF of 100% or more dg, a tendency to decrease the amount of lectin adsorption was observed compared to NANA MNWF of 80–100% dg.
The Promising Mechanisms of Low Molecular Weight Compounds of Panax Ginseng C.A. Meyer in Alleviating COVID-19: A Network Pharmacology Analysis
Authors: Oh Ki-Kwang , Adnan Md. , Cho Dong-Ha
Published: February 2022

Panax Ginseng C.A. Meyer (PGCAM) is a well-known phytomedicine, but most of its compounds, such as ginsenoside derivatives, have poor absorption and bioavailability profile due to high molecular weight (≥500 Daltons), which is the major hurdle for their clinical application. Hence, this research explored the efficiency of low molecular weight compounds (LMWCs) (<500 Daltons) screened from PGCAM and their anti-COVID-19 mechanisms through network pharmacology. Molecular compounds from PGCAM were identified using public databases and filtered out by the drug-likeness evaluation. Genes interacted with these filtered compounds, and COVID-19-related genes were extracted from public databases. In addition, overlapping genes between compounds and interactive genes were identified using the Venn diagram. In parallel, the networking between compounds and overlapping genes was analyzed by RStudio. The pathway enrichment analysis of overlapping genes was determined by STRING. Finally, the key bioactive compounds were documented through virtual screening. The bubble chart suggested that the mechanisms of PGCAM against COVID-19 were related to 28 signaling pathways. The key molecular anti-COVID-19 mechanisms might be the anti-inflammation, anti-permeability, and pro-apoptosis by inactivating the PI3K-Akt signaling pathway. The six key genes and the five compounds related to the PI3K-Akt signaling pathway were RELA-paeonol, NFKB1-frutinone A, IL6-nepetin, MCL1-ramalic acid, VEGFA-trifolirhizin, and IL2-trifolirhizin. The docking between these key genes and compounds demonstrated promising binding affinity with a good binding score. Overall, our proposed LMWCs from PGCAM provide a fundamental basis with noteworthy pharmacological evidence to support the therapeutic efficacy of PGCAM in relieving the main symptoms of COVID-19.
Optimal Tuning of Quantum Generative Adversarial Networks for Multivariate Distribution Loading
Authors: Agliardi Gabriele , Prati Enrico
Published: February 2022

Loading data efficiently from classical memories to quantum computers is a key challenge of noisy intermediate-scale quantum computers. Such a problem can be addressed through quantum generative adversarial networks (qGANs), which are noise tolerant and agnostic with respect to data. Tuning a qGAN to balance accuracy and training time is a hard task that becomes paramount when target distributions are multivariate. Thanks to our tuning of the hyper-parameters and of the optimizer, the training of qGAN reduces, on average, the Kolmogorov–Smirnov statistic of 43–64% with respect to the state of the art. The ability to reach optima is non-trivially affected by the starting point of the search algorithm. A gap arises between the optimal and sub-optimal training accuracy. We also point out that the simultaneous perturbation stochastic approximation (SPSA) optimizer does not achieve the same accuracy as the Adam optimizer in our conditions, thus calling for new advancements to support the scaling capability of qGANs.
Acknowledgment to Reviewers of Quantum Reports in 2021
Authors:   Quantum Reports Editorial Office
Published: February 2022

Rigorous peer-reviews are the basis of high-quality academic publishing [...]
Acknowledgment to Reviewers of Risks in 2021
Authors:   Risks Editorial Office
Published: February 2022

Rigorous peer-reviews are the basis of high-quality academic publishing [...]