bluuebunny/crossref_metadata_2025 huggingface dataset:
A guide in lentiviral vector production for hard-to-transfect cells, using cardiac-derived c-kit expressing cells as a model system
Authors: Kalidasan V. , Ng Wai Hoe , Ishola Oluwaseun Ayodeji , Ravichantar Nithya , Tan Jun Jie , Das Kumitaa Theva
Published: September 2021

Gene therapy revolves around modifying genetic makeup by inserting foreign nucleic acids into targeted cells via gene delivery methods to treat a particular disease. While the genes targeted play a key role in gene therapy, the gene delivery system used is also of utmost importance as it determines the success of gene therapy. As primary cells and stem cells are often the target cells for gene therapy in clinical trials, the delivery system would need to be robust, and viral-based entries such as lentiviral vectors work best at transporting the transgene into the cells. However, even within lentiviral vectors, several parameters can affect the functionality of the delivery system. Using cardiac-derived c-kit expressing cells (CCs) as a model system, this study aims to optimize lentiviral production by investigating various experimental factors such as the generation of the lentiviral system, concentration method, and type of selection marker. Our findings showed that the 2nd generation system with pCMV-dR8.2 dvpr as the packaging plasmid produced a 7.3-fold higher yield of lentiviral production compared to psPAX2. Concentrating the virus with ultracentrifuge produced a higher viral titer at greater than 5 × 105 infectious unit values/ml (IFU/ml). And lastly, the minimum inhibitory concentration (MIC) of puromycin selection marker was 10 μg/mL and 7 μg/mL for HEK293T and CCs, demonstrating the suitability of antibiotic selection for all cell types. This encouraging data can be extrapolated and applied to other difficult-to-transfect cells, such as different types of stem cells or primary cells.
Identification of neutralising pembrolizumab anti-drug antibodies in patients with melanoma
Authors: Sasson S. C. , Wilkins L. E. , Watson R. A. , Jolly C. , Brain O. , Klenerman P. , Olsson-Brown A. , Fairfax B. P.
Published: September 2021

Development of anti-drug antibodies (ADAs) can interfere with therapeutic monoclonal antibodies and may lead to drug neutralisation and clinical disease progression. Measurement of circulating drug levels and development of ADAs in the setting of anti-programmed cell death-1 agent pembrolizumab has not been well-studied. Enzyme-linked immunosorbent assays were used to measure pembrolizumab drug level and ADAs in 41 patients with melanoma at baseline, Time-point 1 (3 weeks) and Time-point 2 (21 weeks). Assay results were related to patient demographics and clinical outcome data at 6 months. The median pembrolizumab drug level at 3 weeks was 237 ng/μL and did not correlate with age, sex or body surface area.17/41 patients had an ADA detected at any timepoint, with the highest prevalence at Timepoint 1 (median concentration = 17 ng/μL). The presence of an ADA did not correlate with clinical progression at 6 months. 3/41 (7%) of patients displayed a falling pembrolizumab drug level and rising ADA titre between Timepoint 1 and 2 suggestive of a neutralising ADA. Pembrolizumab drug levels and ADAs can be readily measured. The rates of total and treatment-emergent ADAs may be higher in “real-word” settings than those previously reported. Larger studies are needed to determine effect of neutralising ADAs on long-term clinical outcome.
Effects of common Gram-negative pathogens causing male genitourinary-tract infections on human sperm functions
Authors: Marchiani Sara , Baccani Ilaria , Tamburrino Lara , Mattiuz Giorgio , Nicolò Sabrina , Bonaiuto Chiara , Panico Carmen , Vignozzi Linda , Antonelli Alberto , Rossolini Gian Maria , Torcia Maria , Baldi Elisabetta
Published: September 2021

Male genitourinary tract (MGT) bacterial infections are considered responsible for 15% of male infertility, but the mechanisms underlying decreased semen quality are poorly known. We evaluated in vitro the effect of strains of Gram-negative uropathogenic species (two E.coli strains, three K. pneumoniae strains, P. aeruginosa and E. cloacae) on motility, viability, mitochondrial oxidative status, DNA fragmentation and caspase activity of human spermatozoa. All strains, except P. aeruginosa, reduced significantly sperm motility, with variable effects. Sperm Immobilizing Factor (SIF) was largely responsible for deteriorating effects on sperm motility of E. coli strains since they were completely reverted by knockout of SIF coding recX gene. Sequence alignment for RecX showed the presence of high homologous sequences in K. pneumoniae and E. cloacae but not in P. aeruginosa. These results suggest that, in addition to E.coli, other common uropathogenic Gram-negative bacteria affect sperm motility through RecX products. In addition to sperm motility, the E. coli strain ATCC 35218 also affected sperm viability, and induced caspase activity, oxidative stress and DNA fragmentation suggesting an interspecies variability in the amount and/or type of the produced spermatotoxic factors. In general, our results highlight the need for a careful evaluation of semen infections in the diagnostic process of the infertile man.
Is glucose-6-phosphatase dehydrogenase deficiency associated with severe outcomes in hospitalized COVID-19 patients?
Authors: Kumar Nitya , AbdulRahman AbdulKarim , AlAwadhi Abdulla Ismaeel , AlQahtani Manaf
Published: September 2021

Glucose-6-phosphate dehydrogenase deficiency (G6PDd) is known to suppress the antioxidant system and is likely to aggravate severity of COVID-19, which results in a pro-oxidant response. This possible association has not been explored adequately in human studies. In this research, we report that the occurrence of non-invasive ventilation, intubation or death—all of which are indicative of severe COVID-19, are not significantly different in hospitalized COVID-19 patients with and without G6PDd (4.6 vs. 6.4%, p = 0.33). The likelihood of developing any of these severe outcomes were slightly lower in patients with G6PDd after accounting for age, nationality, presence of comorbidities and drug interventions (Odds ratio 0.40, 95% confidence intervals 0.142, 1.148). Further investigation that extends to both, hospitalized and non-hospitalized COVID-19 patients, is warranted to study this potential association.
A low aromatic amino-acid diet improves renal function and prevent kidney fibrosis in mice with chronic kidney disease
Authors: Barba Christophe , Benoit Bérengère , Bres Emilie , Chanon Stéphanie , Vieille-Marchiset Aurélie , Pinteur Claudie , Pesenti Sandra , Glorieux Griet , Picard Cécile , Fouque Denis , Soulage Christophe O. , Koppe Laetitia
Published: September 2021

Despite decades of use of low protein diets (LPD) in the management of chronic kidney disease (CKD), their mechanisms of action are unclear. A reduced production of uremic toxins could contribute to the benefits of LPDs. Aromatic amino-acids (AA) are precursors of major uremic toxins such as p-cresyl sulfate (PCS) and indoxyl sulfate (IS). We hypothesize that a low aromatic amino acid diet (LA-AAD, namely a low intake of tyrosine, tryptophan and phenylalanine) while being normoproteic, could be as effective as a LPD, through the decreased production of uremic toxins. Kidney failure was chemically induced in mice with a diet containing 0.25% (w/w) of adenine. Mice received three different diets for six weeks: normoproteic diet (NPD: 14.7% proteins, aromatic AAs 0.019%), LPD (5% proteins, aromatic AAs 0.007%) and LA-AAD (14% proteins, aromatic AAs 0.007%). Both LPD and LA-AAD significantly reduced proteinuria, kidney fibrosis and inflammation. While LPD only slightly decreased plasma free PCS and free IS compared to NPD; free fractions of both compounds were significantly decreased by LA-AAD. These results suggest that a LA-AAD confers similar benefits of a LPD in delaying the progression of CKD through a reduction in some key uremic toxins production (such as PCS and IS), with a lower risk of malnutrition.
Nutritional resources of the yeast symbiont cultivated by the lizard beetle Doubledaya bucculenta in bamboos
Authors: Toki Wataru , Aoki Dan
Published: September 2021

Symbiotic fungi of wood-inhabiting insects are often considered to aid wood digestion of host insects when the associated fungi can assimilate wood-associated indigestible materials. In most cases, however, the components of wood that are utilized by fungal symbionts remain poorly understood. The lizard beetle Doubledaya bucculenta (Coleoptera, Erotylidae, Languriinae) farms the symbiotic yeast Wickerhamomyces anomalus inside the cavity of host bamboo internodes, which serves as food for larvae. To determine the carbon sources of the internodes serving as nutritional substrates for W. anomalus, we used ion exchange chromatography measurements to analyze free and structural sugar compositions in fresh pith (FP), yeast-cultured pith (YP), and larva-reared pith (LP) of internodes. Glucose and fructose were the major free sugars in FP and markedly decreased in YP and LP. For structural sugars, no sugar significantly decreased in YP or LP compared with FP. Carbon assimilation tests showed that W. anomalus assimilated glucose, mannose, fructose, and sucrose strongly, xylose and cellobiose moderately, and xylan weakly. Elemental analysis revealed that the compositions of carbon, hydrogen, and nitrogen were not significantly different among tissue types. These results suggest that W. anomalus does not consume bamboo-associated indigestible sugars but most free sugars, mainly glucose and fructose, in the pith. Our findings suggest that a symbiont’s abilities may not always benefit its host in nature.
Aedes fluviatilis cell lines as new tools to study metabolic and immune interactions in mosquito-Wolbachia symbiosis
Authors: Conceição Christiano Calixto , da Silva Jhenifer Nascimento , Arcanjo Angélica , Nogueira Cíntia Lopes , de Abreu Leonardo Araujo , de Oliveira Pedro Lagerblad , Gondim Katia C. , Moraes Bruno , de Carvalho Stephanie Serafim , da Silva Renato Martins , da Silva Vaz Itabajara , Moreira Luciano Andrade , Logullo Carlos
Published: September 2021

In the present work, we established two novel embryonic cell lines from the mosquito Aedes fluviatilis containing or not the naturally occurring symbiont bacteria Wolbachia, which were called wAflu1 and Aflu2, respectively. We also obtained wAflu1 without Wolbachia after tetracycline treatment, named wAflu1.tet. Morphofunctional characterization was performed to help elucidate the symbiont-host interaction in the context of energy metabolism regulation and molecular mechanisms of the immune responses involved. The presence of Wolbachia pipientis improves energy performance in A. fluviatilis cells; it affects the regulation of key energy sources such as lipids, proteins, and carbohydrates, making the distribution of actin more peripheral and with extensions that come into contact with neighboring cells. Additionally, innate immunity mechanisms were activated, showing that the wAflu1 and wAflu1.tet cells are responsive after the stimulus using Gram negative bacteria. Therefore, this work confirms the natural, mutually co-regulating symbiotic relationship between W. pipientis and A. fluviatilis, modulating the host metabolism and immune pathway activation. The results presented here add important resources to the current knowledge of Wolbachia-arthropod interactions.
An adaptive approach to machine learning for compact particle accelerators
Authors: Scheinker Alexander , Cropp Frederick , Paiagua Sergio , Filippetto Daniele
Published: September 2021

Machine learning (ML) tools are able to learn relationships between the inputs and outputs of large complex systems directly from data. However, for time-varying systems, the predictive capabilities of ML tools degrade if the systems are no longer accurately represented by the data with which the ML models were trained. For complex systems, re-training is only possible if the changes are slow relative to the rate at which large numbers of new input-output training data can be non-invasively recorded. In this work, we present an approach to deep learning for time-varying systems that does not require re-training, but uses instead an adaptive feedback in the architecture of deep convolutional neural networks (CNN). The feedback is based only on available system output measurements and is applied in the encoded low-dimensional dense layers of the encoder-decoder CNNs. First, we develop an inverse model of a complex accelerator system to map output beam measurements to input beam distributions, while both the accelerator components and the unknown input beam distribution vary rapidly with time. We then demonstrate our method on experimental measurements of the input and output beam distributions of the HiRES ultra-fast electron diffraction (UED) beam line at Lawrence Berkeley National Laboratory, and showcase its ability for automatic tracking of the time varying photocathode quantum efficiency map. Our method can be successfully used to aid both physics and ML-based surrogate online models to provide non-invasive beam diagnostics.
Aqueous mechano-bactericidal action of acicular aragonite crystals
Authors: Negishi Nobuaki , Inaba Tomohiro , Miyazaki Yukari , Ishii Genki , Yang Yingnan , Koura Setsuko
Published: September 2021

Nanoneedle structures on dragonfly and cicada wing surfaces or black silicon nanoneedles demonstrate antibacterial phenomena, namely mechano-bactericidal action. These air-exposed, mechano-bactericidal surfaces serve to destroy adherent bacteria, but their bactericidal action in the water is no precedent to report. Calcium carbonate easily accumulates on solid surfaces during long-term exposure to hard water. We expect that aragonite nanoneedles, in particular, which grow on TiO2 during the photocatalytic treatment of calcium-rich groundwater, exhibit mechano-bactericidal action against bacteria in water. Here, we showed that acicular aragonite modified on TiO2 ceramics prepared from calcium bicarbonate in mineral water by photocatalysis exhibits mechanical bactericidal activity against E. coli in water. Unmodified, calcite-modified and aragonite-modified TiO2 ceramics were exposed to water containing E. coli (in a petri dish), and their bactericidal action over time was investigated under static and agitated conditions. The surfaces of the materials were observed by scanning electron microscopy, and the live/dead bacterial cells were observed by confocal laser scanning microscopy. As a result, the synergistic bactericidal performance achieved by mechano-bactericidal action and photocatalysis was demonstrated. Aragonite itself has a high biological affinity for the human body different from the other whisker-sharpen nanomaterials, therefore, the mechano-bactericidal action of acicular aragonite in water is expected to inform the development of safe water purification systems for use in developing countries.
Corn starch reactive blending with latex from natural rubber using Na+ ions augmented carboxymethyl cellulose as a crosslinking agent
Authors: Leksawasdi Noppol , Chaiyaso Thanongsak , Rachtanapun Pornchai , Thanakkasaranee Sarinthip , Jantrawut Pensak , Ruksiriwanich Warintorn , Seesuriyachan Phisit , Phimolsiripol Yuthana , Techapun Charin , Sommano Sarana Rose , Ougizawa Toshiaki , Jantanasakulwong Kittisak
Published: September 2021

A mixture of corn starch and glycerol plasticizer (CSG) was blended with latex natural rubber (LNR) and carboxymethyl cellulose (CMC). The addition of 10 phr of CMC improved the Young’s modulus (6.7 MPa), tensile strength (8 MPa), and elongation at break (80%) of the CSG/LNR blend. The morphology of the CSG/LNR/CMC blends showed a uniform distribution of LNR particles (1–3 µm) in the CSG matrix. The addition of CMC enhanced the swelling ability and water droplet contact angle of the blends owing to the swelling properties, interfacial crosslinking, and amphiphilic structure of CMC. Fourier transform infrared spectroscopy confirmed the reaction between the C=C bond of LNR and the carboxyl groups (–COO−) of CMC, in which the Na+ ions in CMC acted as a catalyst. Notably, the mechanical properties of the CSG/LNR/CMC blend were improved owing to the miscibility of CSG/CMC and the CMC/LNR interfacial reaction. The CSG/LNR/CMC biodegradable polymer with high mechanical properties and interfacial tension can be used for packaging, agriculture, and medical applications.
Health risk assessment of PM2.5 on walking trips
Authors: Zhu Caihua , Fu Zekun , Liu Linjian , Shi Xuan , Li Yan
Published: September 2021

PM2.5has an impact on residents' physical health during travelling, especially walking completely exposed to the environment. In order to obtain the specific impact of PM2.5on walking, 368 healthy volunteers were selected and they were grouped according to gender and age. In the experiment, the heart rate change rate (HR%) is taken as test variable. According to receiver operating characteristic (ROC) curve, the travel is divided into two states: safety and risk. Based on this, a binary logit model considering Body Mass Index (BMI) is established to determine the contribution of PM2.5concentration and body characteristics to travel risk. The experiment was conducted on Chang'an Middle Road in Xi'an City. The analysis results show that the threshold of HR% for safety and risk ranges from 31.1 to 40.1%, and that of PM2.5concentration ranges from 81 to 168 μg/m3. The probability of risk rises 5.8% and 11.4%, respectively, for every unit increase in PM2.5concentration and HR%. Under same conditions, the probability of risk for male is 76.8% of that for female. The probability of risk for youth is 67.5% of that for middle-aged people, and the probability of risk for people with BMI in healthy range is 72.1% of that for non-healthy range. The research evaluates risk characteristics of walking in particular polluted weather, which can improve residents’ health level and provide suggestions for travel decision while walking.
Cutoff criteria for the placebo response: a cluster and machine learning analysis of placebo analgesia
Authors: Aslaksen Per M.
Published: September 2021

Computations of placebo effects are essential in randomized controlled trials (RCTs) for separating the specific effects of treatments from unspecific effects associated with the therapeutic intervention. Thus, the identification of placebo responders is important for testing the efficacy of treatments and drugs. The present study uses data from an experimental study on placebo analgesia to suggest a statistical procedure to separate placebo responders from nonresponders and suggests cutoff values for when responses to placebo treatment are large enough to be separated from reported symptom changes in a no-treatment condition. Unsupervised cluster analysis was used to classify responders and nonresponders, and logistic regression implemented in machine learning was used to obtain cutoff values for placebo analgesic responses. The results showed that placebo responders can be statistically separated from nonresponders by cluster analysis and machine learning classification, and this procedure is potentially useful in other fields for the identification of responders to a treatment.
Multivariate analysis of polyphenolic content and in vitro antioxidant capacity of wild and cultivated berries from Bosnia and Herzegovina
Authors: Marjanovic Aleksandra , Djedjibegovic Jasmina , Lugusic Aida , Sober Miroslav , Saso Luciano
Published: September 2021

The aim of this study was to determine the antioxidant activity, total phenolics, total flavonoid, proanthocyanidins, and anthocyanins content of eight berry species, namely serviceberry, gooseberry, blackberry, black chokeberry, bilberry, red currant, black currant, and cornelian cherry harvested in the regions of Sarajevo and Tuzla, Bosnia and Herzegovina. The antioxidant activity was determined by a battery of in vitro tests including DPPH radical assay, FRAP assay, ABTS assay, and phosphomolybdate test for total antioxidant capacity. Total phenolics, total flavonoids, and proanthocyanidins ranged from 0.834 to 6.921 mg TAE (tannic acid equivalents), 0.081–0.673 mg of quercetin, and 0.162–3.247 mg of catechin per gram of fresh fruit, respectively. The water extract of fruits had considerable levels of tested constituents and antioxidant activity, with the highest results obtained for black chokeberry. The multivariate clustering analysis showed that water extracts of analyzed species of berries belong to four distinct types in terms of their antioxidants levels and antioxidant activity. Furthermore, these results support the opinion that employment of multiple antioxidant tests is indeed required for adequate in vitro assessment of antioxidant capacity. Results also emphasized the need for a more detailed evaluation of the fruit species with good antioxidant potential (relative to standards), such as cornelian cherry and gooseberry, which are abundant yet not frequently consumed in Bosnia and Herzegovina.
Catalytic ketonization of palmitic acid over a series of transition metal oxides supported on zirconia oxide-based catalysts
Authors: Aleem S. A. , Asikin-Mijan N. , Hussain A. S. , Voon C. H. , Dolfi A. , Sivasangar S. , Taufiq-Yap Y. H.
Published: September 2021

Catalyst screening and optimization of a series of ZrO2 supported metal oxides for ketonization of undiluted, neat palmitic acid.
Thermosensitive chitosan-based hydrogels supporting motor neuron-like NSC-34 cell differentiation
Authors: Stanzione Antonella , Polini Alessandro , La Pesa Velia , Quattrini Angelo , Romano Alessandro , Gigli Giuseppe , Moroni Lorenzo , Gervaso Francesca
Published: September 2021

A new drop-by-drop method was developed to prepare a thermosensitive, chitosan-based hydrogel system that allowed easy encapsulation of NSC-34 cells, supporting their viability and favouring their differentiation.
Access to adducts of parent iminoborane isomers, HBNH and NBH2, using frustrated Lewis pair chelation
Authors: Frenette Brandon L. , Omaña Alvaro A. , Ferguson Michael J. , Zhou Yuqiao , Rivard Eric
Published: September 2021

A general frustrated Lewis pair chelation approach was used to access the parent iminoborane isomers HBNH and NBH2.
Automated reaction mechanisms and kinetics based transition state search process AMK-gau_xtb and its application to the substitution reaction of the nitroso group in 2,4,6-trinitrotoluene by hydroxide anion in the aqueous phase
Authors: Zhang Guan , Li Jin , Long Bo , Liu Zongkuan
Published: September 2021

The newly developed AMK-gau_xtb discovers new TNT alkaline hydrolysis mechanism characteristics.
In situquantitative study of the phase transition in surfactant adsorption layers at the silica–water interface using total internal reflection Raman spectroscopy
Authors: Ly Thong Q. , Yang Fangyuan , Baldelli Steven
Published: September 2021

DimethyldodecylamineN-oxide (DDAO) shows high surface activity with two distinct energy states at the hydrophilic silica/aqueous solution interface studied by total internal reflection (TIR) Raman spectroscopy combined with ratiometric and kinetic analysis.
Strategies used by nature to fix the red, purple and blue colours in plants: a physical chemistry approach
Authors: Basílio Nuno , Mendoza Johan , Seco André , Oliveira Joana , de Freitas Victor , Pina Fernando
Published: September 2021

Simple anthocyanins by themselves are unable to give significant colours in plants. In this work, the strategies used by nature to fix the flavylium cation and quinoidal base colours are investigated from the point of view of their physical chemistry.
Periodic B- and N-doped phenalenyl π-aggregates: unexpected nonlinear optical properties by tuning pancake π–π bonding
Authors: Gao Feng-Wei , Li Shi-Bin , Xu Hong-Liang , Su Zhong-Min
Published: September 2021

Constructing π-aggregates can significantly improve the second-order NLO response, which is mainly due to intermolecular charge transfer through pancake π–π bonding of the interlayers.
Fe(phen)2(NCS)2 on Al(100): influence of AlN layer on spin crossover barrier
Authors: Zhang Yachao
Published: September 2021

Using ab initio studies, we have shown that a nitride layer at the interface enhances the spin crossover barrier of a single Fe(phen)2(NCS)2 molecule deposited on Al(100).
Investigation of CsPbBr3 CVD dynamics at various temperatures
Authors: Bao Chenyang , Peng Xiang , Ying Leiying , Mei Yang , Zhang Baoping , Long Hao
Published: September 2021

Dynamics (inflow, desorption and reaction) of perovskite CVD growth were investigated.
Concentrations of halogenated flame retardants and polychlorinated biphenyls in house dust from Lagos, Nigeria
Authors: Akinrinade Olumide Emmanuel , Stubbings William A. , Abou-Elwafa Abdallah Mohamed , Ayejuyo Olusegun , Alani Rose , Harrad Stuart
Published: September 2021

Levels of PCBs and some PBDEs in Lagos house dust have declined, demonstrating the efficacy of restrictions on these chemicals. In contrast, deca-BDE levels show no clear decline; implying its more recent restriction has yet to be fully effective.
Insights into a “seesaw effect” between reducibility and hydrophobicity induced by cobalt doping: influence on OMS-2 nanomaterials for catalytic degradation of carcinogenic benzene
Authors: Ni Chunlan , Hou Jingtao , Zheng Qian , Wang Mengqing , Ren Lu , Wang Mingxia , Tan Wenfeng
Published: September 2021

We combined both theoretical and experimental evidence to demonstrate a “seesaw effect” between reducibility and hydrophobicity after introduction of cobalt into the OMS-2 structure.
Honeycomb scaffolds capable of achieving barrier membrane-free guided bone regeneration
Authors: Hayashi Koichiro , Shimabukuro Masaya , Kishida Ryo , Tsuchiya Akira , Ishikawa Kunio
Published: September 2021

Carbonate apatite honeycomb scaffolds achieve barrier membrane-free guided bone regeneration that can resolve the current challenges in vertical bone augmentation.
The effect of regional selectivity on the corrosion inhibition properties of synthetic ionic liquidviathe synergistic action of the cation and anion
Authors: Sun Jian , Wang Xinyue , Gao Huajing , Chen Feng , Wang Xingbao , Zhang Jianlin , Jin Zhaohui
Published: September 2021

By adding different proportions ofN-butylimidazole and carboxyethylthiosuccinic acid (CETSA), three hybrid systems of ionic liquids were synthesized and named ILHS1, ILHS2and ILHS3.
A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine
Authors: Zhou Yuan , Liu Tingting , Zheng Shuang , Wang Xinyuan , Zhang Mei , Irfan Majeed , Zhang Yuanyuan , Wang Hui , Zeng Zhuo
Published: September 2021

Pyrrole functionalized with fluoride can show regulated MCL behavior and AIEE properties, and it can be effectively used to detect hydrate hydrazine in liquid and gas states.
Naturally derived sugar-based ionic liquids: an emerging tool for sustainable organic synthesis and chiral recognition
Authors: Muthukuru Priyanka , P. Krishnaraj , Rayadurgam Jayachandra , Rajasekhara Reddy Sabbasani
Published: September 2021

In the past decade, the synthesis of sugar-based ionic liquids (SILs) from natural sugars has been described as a promising strategy.
Efficient removal of methylene blue dye from an aqueous solution using silica nanoparticle crosslinked acrylamide hybrid hydrogels
Authors: Maria Rahman M. , Al Foisal Jannat , Ihara Hirotaka , Takafuji Makoto
Published: September 2021

Silica nanoparticle cross-linked acrylamide polymer hydrogels showed promising adsorption behavior for organic dye removal in a neutral to basic pH range with a rapid adsorption rate, high adsorption capacity and excellent regeneration efficacy.
Nanomolar level detection of metal ions by improving the monodispersity and stability of nitrogen-doped graphene quantum dots
Authors: Sohal Neeraj , Bhatia Simran Kaur , Basu Soumen , Maity Banibrata
Published: September 2021

Highly fluorescent and stable nitrogen-doped graphene quantum dots used as nanosensor for the selective and sensitive detection of Fe3+ ions at nanomolar range based on the dynamic quenching.
Out for a RiPP: challenges and advances in genome mining of ribosomal peptides from fungi
Authors: Kessler Simon C. , Chooi Yit-Heng
Published: September 2021

This Highlight reviews previous discoveries of ribosomal peptides in fungi, groups these natural products into three distinct families based on their unique properties and outlines how to leverage these properties for genome mining.
Convolutional neural networks for high throughput screening of catalyst layer inks for polymer electrolyte fuel cells
Authors: Eslamibidgoli Mohammad J. , Tipp Fabian P. , Jitsev Jenia , Jankovic Jasna , Eikerling Michael H. , Malek Kourosh
Published: September 2021

Deep learning enables the robust and accurate classification of the TEM images of catalyst layer inks for the polymer electrolyte fuel cells.
Positional isomeric effect of monobrominated ending groups within small molecule acceptors on photovoltaic performance
Authors: Wang Wei , Li Gongchun , Li Yuhao , Zhan Chun , Lu Xinhui , Xiao Shengqiang
Published: September 2021

A small molecular acceptor with mixed isomeric monobrominated end groups exhibited a better photovoltaic performance than the pure isomers.
Boric acid as a precatalyst for BH3-catalyzed hydroboration
Authors: Légaré Lavergne Julien , To Hoang-Minh , Fontaine Frédéric-Georges
Published: September 2021

Cheap and air-stable boric acid is shown to be a good precatalyst for BH3 hydroboration of esters and carbonates.
Kinetic study ofo-nitrotoluene nitration in a homogeneously continuous microflow
Authors: Song Jing , Cui Yongjin , Luo Guangsheng , Deng Jian , Wang Yujun
Published: September 2021

Determination of nitration kinetics of o-nitrotoluene with a homogeneously continuous microflow system.
The phospholipid membrane compositions of bacterial cells, cancer cell lines and biological samples from cancer patients
Authors: Hilton Kira L. F. , Manwani Chandni , Boles Jessica E. , White Lisa J. , Ozturk Sena , Garrett Michelle D. , Hiscock Jennifer R.
Published: September 2021

This review acts as a repository and comparison of cell membrane phospholipid composition data collected from microbial and cancer fields.
Selective propargylic C(sp3)–H activation of methyl-substituted alkynes versus [2 + 2] cycloaddition at a titanium imido template
Authors: Fischer Malte , Manßen Manfred , Schmidtmann Marc , Klüner Thorsten , Beckhaus Rüdiger
Published: September 2021

An unexpected reactivity between a titanium imido complex and internal alkynes was unveiled yielding titanaazacyclobutenes instead of the expected [2 + 2] cycloaddition products.
Temperature- and pH-responsive poly(N-isopropylacrylamide-co-methacrylic acid) microgels as a carrier for controlled protein adsorption and release
Authors: Agnihotri Priyanshi , Sangeeta  , Aery Shikha , Dan Abhijit
Published: September 2021

This work demonstrates the controlled protein adsorption and release of different crosslinked poly(N-isopropylacrylamide-co-methacrylic acid) microgels under different external conditions, including pH, temperature and ionic strength.
Steering the behavior of photogenerated carriers in semiconductor photocatalysts: a new insight and perspective
Authors: Li Fang , Cheng Lei , Fan Jiajie , Xiang Quanjun
Published: September 2021

This review explores the mechanism of photogenerated carrier regulation from the aspect of the driving force of separation and transfer for photogenerated carrier dynamics.
Strong modulation of electronic properties of monolayer MoTe2 using a ferroelectric LiNbO3(0001) substrate
Authors: Ke Cheng , Dai Jian-Qing , Yuan Jin
Published: September 2021

Projected band (red dots) of the 2H-MoTe2 monolayer adsorbed on the LiNbO3(0001) substrates. The ferroelectric LiNbO3 substrates is able to modulate the electronic properties of MoTe2 very well.
Combinatorial donor engineering for highly efficient blue thermally activated delayed fluorescence emitters with low efficiency roll-off
Authors: Shin Dong Jin , Lim Junseop , Lee Jun Yeob
Published: September 2021

A thermally activated delayed fluorescence (TADF) molecule with high reverse intersystem crossing rate possessing high photoluminescence quantum yield was developed by combinatorial donor engineering of bicarbazole and 12H-benzofuro[3,2-a]carbazole.
Development of ultraviolet-B long-lived persistent phosphors in Pr3+-doped garnets
Authors: Yan Shao , Liang Yanjie , Liu Jingwei , Chen Dongxun , Miao Shihai , Bi Jianqiang , Sun Kangning
Published: September 2021

A series of Pr3+-doped garnet-based UVB persistent phosphors have been designed and developed by combining conduction band engineering, the vacuum referred binding energy diagram and persistent energy transfer control.
The role of long non-coding RNAs in the regulation of pancreatic beta cell identity
Authors: Wilson Maya E. , Pullen Timothy J.
Published: September 2021

Type 2 diabetes (T2D) is a widespread disease affecting millions in every continental population. Pancreatic β-cells are central to the regulation of circulating glucose, but failure in the maintenance of their mass and/or functional identity leads to T2D. Long non-coding RNAs (lncRNAs) represent a relatively understudied class of transcripts which growing evidence implicates in diabetes pathogenesis. T2D-associated single nucleotide polymorphisms (SNPs) have been identified in lncRNA loci, although these appear to function primarily through regulating β-cell proliferation. In the last decade, over 1100 lncRNAs have been catalogued in islets and the roles of a few have been further investigated, definitively linking them to β-cell function. These studies show that lncRNAs can be developmentally regulated and show highly tissue-specific expression. lncRNAs regulate neighbouring β-cell-specific transcription factor expression, with knockdown or overexpression of lncRNAs impacting a network of other key genes and pathways. Finally, gene expression analysis in studies of diabetic models have uncovered a number of lncRNAs with roles in β-cell function. A deeper understanding of these lncRNA roles in maintaining β-cell identity, and its deterioration, is required to fully appreciate the β-cell molecular network and to advance novel diabetes treatments.
The pockets guide to HLA class I molecules
Authors: Nguyen Andrea T. , Szeto Christopher , Gras Stephanie
Published: September 2021

Human leukocyte antigens (HLA) are cell-surface proteins that present peptides to T cells. These peptides are bound within the peptide binding cleft of HLA, and together as a complex, are recognised by T cells using their specialised T cell receptors. Within the cleft, the peptide residue side chains bind into distinct pockets. These pockets ultimately determine the specificity of peptide binding. As HLAs are the most polymorphic molecules in humans, amino acid variants in each binding pocket influences the peptide repertoire that can be presented on the cell surface. Here, we review each of the 6 HLA binding pockets of HLA class I (HLA-I) molecules. The binding specificity of pockets B and F are strong determinants of peptide binding and have been used to classify HLA into supertypes, a useful tool to predict peptide binding to a given HLA. Over the years, peptide binding prediction has also become more reliable by using binding affinity and mass spectrometry data. Crystal structures of peptide-bound HLA molecules provide a means to interrogate the interactions between binding pockets and peptide residue side chains. We find that most of the bound peptides from these structures conform to binding motifs determined from prediction software and examine outliers to learn how these HLAs are stabilised from a structural perspective.
An efficient differential equation load flow method to assess dynamic available transfer capability with wind farms
Authors: Eidiani Mostafa
Published: September 2021

Differential equation load flow (DELF) is an innovative approach to convert a load flow model to a fictitious dynamic system. DELF solves the entire time‐domain analysis of a dynamic system trajectory rather than solving load flow equations repeatedly in a set of conditions. The static available transfer capability (ATC) determination algorithm is specified through a method called the approximation of the path of the minimum distance method. In this method, instead of a repeated power flow, only three system operating points are used. An estimation of the potential energy boundary surface was also employed to determine the transient stability in an attempt to correct previous methods. A combination of static method and transient stability led to a combined approach to dynamic ATC computation. This paper proposes a truly effective and precise method to assess Dynamic ATC using the differential equation load flow considering the first contingency (n − 1) situations and the intact system condition. For various multilateral and bilateral transactions, this method was successfully implemented on 39, 118‐ and 300‐bus IEEE, 145‐bus Iowa‐State, the west of Iran (1153‐bus), and Mashhad MV distribution network (4438‐buses) systems. The results showed a better suitability, a higher speed and accuracy than other dynamic ATC methods.
Digital Replantations: Comparison Veins Anastomoses first versus Arteries Anastomoses first
Authors: Acciaro Andrea Leti , Colzani Giulia , Della Rosa Norman , Starnoni Marta , Adani Roberto
Published: September 2021

Purpose This retrospective study analyses the effect performing veins anastomoses before arteries anastomoses in digital replantation.

Patients and methods 38 adult patients with replantation of 12 thumbs and 39 fingers, in whom the veins anastomoses were performed prior to the arteries anastomoses, were compared with 29 patients with replantation of 9 thumbs and 30 fingers, in whom the arteries anastomoses were done first, with respect to the survival rate, total active motion, grip strength, and duration of the replantation.

Results There was no significant difference between the two groups with respect to the survival rates, total active motion, and grip strength, while the duration of the replantation was significantly shorter in patients, in whom the veins anastomoses were performed prior to the arteries anastomoses (2 hours and 50 minutes versus 3 hours and 42 minutes; p < 0.001).

Conclusion Performing veins anastomoses before arteries anastomoses in digital replantations reduces the replantation time significantly without influencing the survival rate and the clinical outcome.
Indikationen und Techniken der Versteifung von Fingergelenken bei Arthrose
Authors: Summer Tobias , Erdmann Jacob , Wüstner-Hofmann Margot C.
Published: September 2021

Diese Arbeit gibt anhand von Fallbeispielen eine Übersicht über Indikationen und Techniken von Versteifungsoperationen bei Fingergelenksarthrosen.
Synthesis of 4,7′-Bibenzo[b]thiophenes Bearing Several Different Substituents at 2-, 2′-, 4′-, and 7-Positions; Structurally Featured Molecular Scaffolds for Selective Substitution
Authors: Toyota Kozo , Mikami Shinichi , Matsuo Akihiro , Kwon Eunsang
Published: September 2021

Four isomers of 4,7′-bibenzothiophene scaffolds bearing two different halogen (Br, Cl) and triisopropylsilyl substituents have been synthesized from the two multihalobenzo[b]thiophenes via iodoselective Miyaura borylation reaction using potassium benzoate as a base. Further investigation into the reactivity of 4,7′-bibenzothiophenes in substitution reaction, Suzuki–Miyaura cross-coupling reaction, and C–H direct arylation reaction revealed that tetrasubstituted 4,7′-bibenzothiophenes can be synthesized site- (chemo-) selectively, which are promising novel components for molecular architecture.
1,4,2-Dioxazol-5-ones as Isocyanate Equivalents: An Efficient Synthesis of 2-Quinolinones via β-Keto Amides
Authors: Guduru Ramakrishna , Vala Anand , Parmar Nirali , Soni Jigar Y , Kotturi Sharadsrikar
Published: September 2021

Under thermal conditions, 1,4,2-dioxazol-5-ones are known to undergo decarboxylation followed by Lossen’s rearrangement to yield isocyanates. Described herein is the in situ trapping of the resulting isocyanates with carbon nucleophiles to synthesize β-keto amides. Furthermore, a general and mild method for the conversion of the resulting β-keto amides into quinolin-2-ones is reported.
Application of Auxiliary VerifyNow Point-of-Care Assays to Assess the Pharmacodynamics of RUC-4, a Novel αIIbβ3 Receptor Antagonist
Authors: Bentur Ohad S. , Li Jihong , Jiang Caroline S. , Martin Linda H. , Kereiakes Dean J. , Coller Barry S.
Published: September 2021

Introduction Prehospital therapy of ST-elevation myocardial infarction (STEMI) with αIIbβ3 antagonists improves clinical outcomes, but they are difficult to use in prehospital settings. RUC-4 is a novel αIIbβ3 antagonist being developed for prehospital therapy of STEMI that rapidly achieves high-grade platelet inhibition after subcutaneous administration. Standard light transmission aggregometry (LTA) is difficult to perform during STEMI, so we applied VerifyNow (VN) assays to assess the pharmacodynamics of RUC-4 relative to aspirin and ticagrelor.

Methods Blood from healthy volunteers was anticoagulated with phenylalanyl-prolyl-arginyl chloromethyl ketone (PPACK) or sodium citrate, treated in vitro with RUC-4, aspirin, and/or ticagrelor, and tested with the VN ADP + PGE1, iso-TRAP, and base channel (high concentration iso-TRAP + PAR-4 agonist) assays. The results were correlated with both ADP (20 µM)-induced LTA and flow cytometry measurement of receptor occupancy and data from individuals treated in vivo with RUC-4.

Results RUC-4 inhibited all three VN assays, aspirin did not affect the assays, and ticagrelor markedly inhibited the ADP + PGE1 assay, slightly inhibited the iso-TRAP assay, and did not inhibit the base channel assay. RUC-4's antiplatelet effects were potentiated in citrate compared with PPACK. Cut-off values were determined to correlate the results of the VN iso-TRAP and base channel assays with 80% inhibition of LTA.

Conclusion The VN assays can differentiate the early potent anti-αIIbβ3 effects of RUC-4 from delayed effects of P2Y12 antagonists in the presence of aspirin. These pharmacodynamic assays can help guide the clinical development of RUC-4 and potentially be used to monitor RUC-4's effects in clinical practice.
Rectal Acetaminophen Improves Shunt Volume and Reduces Patent Ductus Arteriosus Ligation in Extremely Preterm Infants
Authors: Castaldo Michael P. , Neary Elaine , Bischoff Adrianne R. , Resende Maura H.F. , Weisz Dany E. , Jain Amish , Giesinger Regan E. , McNamara Patrick J.
Published: September 2021

Objective An alternative therapy for preterm infants with a hemodynamically significant patent ductus arteriosus (hsPDA) is needed when cyclooxygenase inhibitors fail or where treatment is contraindicated due to coexisting renal failure, necrotizing enterocolitis, and/or intestinal perforation. No studies have evaluated the efficacy of per rectum (PR) acetaminophen. The study aimed to evaluate the efficacy of PR acetaminophen in modulating the risk of PDA ligation.

Study Design A retrospective matched case–control study was conducted to compare neonates born <29 weeks' gestation with evidence of hsDA, in an era when rescue rectal acetaminophen was used (January 2014–March 2018) as a treatment strategy, versus historical controls (July 2006–August 2012). All patients underwent comprehensive echocardiography assessment of ductal shunt volume according to a standardized protocol. Acetaminophen treated neonates were matched according to demographics, gestation, preintervention echocardiography features, and comorbidities. Control patients were selected when an echocardiography was performed at an equivalent postnatal age. Infants with a genetic syndrome, severe congenital malformation, or major forms of congenital heart disease excluding small atrial septal defect or ventricular septal defect, PDA, or patent formale ovale were excluded. The primary outcome was surgical ligation of the PDA. Secondary outcomes included echocardiography indices of hemodynamic significance, the composite of death, or severe BPD (defined by ventilator dependence at 36 weeks postmenstrual age). Descriptive statistics and univariate (t-tests, Fisher's exact test, and Mann–Whitney U test) analyses were used to evaluate clinical and echocardiography characteristics of the groups and compare outcomes.

Results Forty infants (20 cases and 20 controls), with similar demographic and echocardiography features, were compared. Cases received 6.8 ± 0.7 days (60 mg/kg/day) of PR acetaminophen. Responders (n = 12, 60%) had echocardiography evidence of reduced ductal diameter (2.2 mm [1.9–2.6] to 1.1 mm [0–1.7], p = 0.002), left ventricular output (363 ± 108–249 ± 61 mL/min/kg; p = 0.002) and left atrium to aortic root ratio (1.7 ± 0.3–1.3 ± 0.2; p = 0.002) following treatment. The rate of PDA ligation was 50% lower (p = 0.02) and composite outcome of death or severe bronchopulmonary dysplasia was reduced (p = 0.04) in the acetaminophen group.

Conclusion Rectal acetaminophen was associated with improvement in echocardiography indices of PDA shunt volume, a 50% reduction in PDA ligation rates and a reduction in the composite outcome of death or severe BPD. Pharmacologic and further prospective clinical studies are needed.

Key Points
Predicting Outcome in Skull Base Osteomyelitis: An Assessment of Demographic, Clinical, and Pathological Attributes
Authors: Saxena Alisha , Paul Birinder Singh , Singh Gagandeep , Ahluwalia Archana , Paul Gunchan
Published: September 2021

Objective Skull base osteomyelitis (SBO) is an enigmatic clinical diagnosis which is difficult to decipher and is associated with poor outcomes. The study aims to examine the demographic and clinical characteristics of patients with SBO and its outcomes.

Materials and Methods Medical records of 30 patients with diagnosis of SBO over past 5 years were assessed for demographic and clinical characteristics, type of SBO, radiological parameters, treatment received, procedure performed, microbiological profile, comorbidities, and complications including cranial nerve (CN) palsies. These factors were analyzed for prediction of outcome (death or survival).

Statistical Analysis Microsoft Office Excel 2010 SAS 10.0 for Windows was used. Student's t-test for continuous variables (age, duration of symptoms, number of days of hospitalization, and treatment duration) and chi-square test for categorical variables (imaging findings, symptomatology, presence of comorbidities, surgical procedure, complications, and type of antibiotics) were utilized.

Results We found SBO was the disease of elderly population (64.07 ± 6.13 years) with male predominance (83.3%) highly associated with uncontrolled diabetes status (93.3%). Headache (100%) and CN palsy (80%) were the most common neurological presenting complaints followed by stroke (17%) and encephalopathy (10%). Pathological and radiological correlation showed that fungal infection (Aspergillus) was associated with anterior SBO (10%), while bacteria (Pseudomonas) was cultured from posterior SBO (30%). Fifty per cent of patients were alive after 1 year out of which 33% had good functional outcome. The mortality rate was 33.3% in our cohort and multiple lower CN palsies (p = 0.04), suboptimal duration of medical treatment (p = 0.03), surgical intervention during clinical course (p = 0.02), and development of intracranial or extracranial complications (p = 0.03) were the predictors of mortality.

Conclusion Early diagnosis including identification of pathogenic organisms and optimal duration of treatment are crucial factors for improved outcomes in SBO.