bluuebunny/crossref_metadata_2025 huggingface dataset:
Gonioscopy-assisted Transluminal Trabeculotomy (GATT) combined phacoemulsification surgery: Outcomes at a 2-year follow-up
Authors: Wan Yue , Cao Kai , Wang Jin , Sun Yunxiao , Du Rong , Wang Ziyi , Zhang Jidi , Wang Huaizhou , Wang Ningli
Published: May 2022

Background/Objectives

This study aimed to provide a 24-month follow-up on the surgical success and safety of gonioscopy-assisted transluminal trabeculotomy (GATT) combined with phacoemulsification and intraocular lens (IOL) implantation in the treatment of patients with primary open-angle glaucoma (POAG) combined cataract.

Subjects/Methods

We included 124 consecutive cases of POAG with microcatheter-assisted GATT or GATT combined with phacoemulsification and IOL implantation at Beijing Tongren Eye Centre between October 2019 and November 2020. Main outcome measures included surgical success rate, changes in IOP, number of antiglaucoma medications, best corrected visual acuity (BCVA), postoperative complications at baseline, and follow-up period of up to 24 months.

Results

In total, 58 eyes received GATT combined with phacoemulsification surgery and 66 eyes received GATT alone. The overall qualified success rate was 86.21% for eyes with GATT combined with phacoemulsification surgery, and 83.48% for eyes with GATT only at 24 months. IOP was reduced from 26.40 ± 6.37 mmHg on 3.12 ± 0.80 medications preoperatively to 14.61 ± 2.28 mmHg on 0.27 ± 0.71 medications at 12 months and 16.08 ± 2.38 mmHg on 0.45 ± 0.96 medications at 24 months after combined surgery. Additionally, mean BCVA improved from 0.75 ± 0.43 logMAR units preoperatively to 0.22 ± 0.18 logMAR units 24 months after combined surgery. No vision-threatening complications occurred during the 24-month follow-up.

Conclusions

The 24-month follow-up results of our study suggest that GATT combined with cataract surgery is a safe and effective treatment for decreasing IOP and number of medications in patients with POAG combined cataract.
Origin of carbonatites—liquid immiscibility caught in the act
Authors: Berndt Jasper , Klemme Stephan
Published: May 2022

Carbonatites are rare but worldwide occurring igneous rocks and their genesis remains enigmatic. Field studies show a close spatial but controversially debated genetic relationship with alkaline silicate rocks, and petrological and experimental studies indicate liquid immiscibility from mantle-derived magmas being one viable model for the generation of carbonatites. However, unaltered carbonatitic melts are rare and the composition of primary carbonate liquids and their silicate conjugates is poorly constrained. Here we show an example of primary Ca-carbonatitic melt formed by liquid immiscibility from a phonolitic magma of the Laacher See volcano (Eifel, Germany). The conjugate blebs of carbonate-silicate liquids are found in hauyne-hosted melt inclusions. The Ca-carbonatite melts are moderately alkali-rich and contain high F and Cl at elevated SiO2 and Al2O3 concentrations. Such carbonatite liquids are viable parental magmas to the globally dominating intrusive Ca-carbonatite complexes and may provide the missing link to extrusive Na-carbonatitic magmas.
A framework to efficiently describe and share reproducible DNA materials and construction protocols
Authors: Mori Hideto , Yachie Nozomu
Published: May 2022

DNA constructs and their annotated sequence maps have been rapidly accumulating with the advancement of DNA cloning, synthesis, and assembly methods. Such resources have also been utilized in designing and building new DNA materials. However, as commonly seen in the life sciences, no framework exists to describe reproducible DNA construction processes. Furthermore, the use of previously developed DNA materials and building protocols is usually not appropriately credited. Here, we report a framework QUEEN (framework to generate quinable and efficiently editable nucleotide sequence resources) to resolve these issues and accelerate the building of DNA. QUEEN enables the flexible design of new DNA by using existing DNA material resource files and recording its construction process in an output file (GenBank file format). A GenBank file generated by QUEEN can regenerate the process code such that it perfectly clones itself and bequeaths the same process code to its successive GenBank files, recycling its partial DNA resources. QUEEN-generated GenBank files are compatible with existing DNA repository services and software. We propose QUEEN as a solution to start significantly advancing the material and protocol sharing of DNA resources.
Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis
Authors: Kwon Do Hoon , Zhang Feng , Fedor Justin G. , Suo Yang , Lee Seok-Yong
Published: May 2022

Single particle cryo-EM often yields multiple protein conformations within a single dataset, but experimentally deducing the temporal relationship of these conformers within a conformational trajectory is not trivial. Here, we use thermal titration methods and cryo-EM in an attempt to obtain temporal resolution of the conformational trajectory of the vanilloid receptor TRPV1 with resiniferatoxin (RTx) bound. Based on our cryo-EM ensemble analysis, RTx binding to TRPV1 appears to induce intracellular gate opening first, followed by selectivity filter dilation, then pore loop rearrangement to reach the final open state. This apparent conformational wave likely arises from the concerted, stepwise, additive structural changes of TRPV1 over many subdomains. Greater understanding of the RTx-mediated long-range allostery of TRPV1 could help further the therapeutic potential of RTx, which is a promising drug candidate for pain relief associated with advanced cancer or knee arthritis.
Efficient and simultaneous capture of iodine and methyl iodide achieved by a covalent organic framework
Authors: Xie Yaqiang , Pan Tingting , Lei Qiong , Chen Cailing , Dong Xinglong , Yuan Youyou , Maksoud Walid Al , Zhao Long , Cavallo Luigi , Pinnau Ingo , Han Yu
Published: May 2022

Radioactive molecular iodine (I2) and organic iodides, mainly methyl iodide (CH3I), coexist in the off-gas stream of nuclear power plants at low concentrations, whereas few adsorbents can effectively adsorb low-concentration I2and CH3I simultaneously. Here we demonstrate that the I2adsorption can occur on various adsorptive sites and be promoted through intermolecular interactions. The CH3I adsorption capacity is positively correlated with the content of strong binding sites but is unrelated to the textural properties of the adsorbent. These insights allow us to design a covalent organic framework to simultaneously capture I2and CH3I at low concentrations. The developed material, COF-TAPT, combines high crystallinity, a large surface area, and abundant nucleophilic groups and exhibits a record-high static CH3I adsorption capacity (1.53 g·g−1at 25 °C). In the dynamic mixed-gas adsorption with 150 ppm of I2and 50 ppm of CH3I, COF-TAPT presents an excellent total iodine capture capacity (1.51 g·g−1), surpassing various benchmark adsorbents. This work deepens the understanding of I2/CH3I adsorption mechanisms, providing guidance for the development of novel adsorbents for related applications.
Installing a molecular truss beam stabilizes MOF structures
Authors: Kim Hong Ki , Jung Jong-Yeong , Kang Gyumin , Baik Mu-Hyun , Choi Eun-Young
Published: May 2022

Enhancing the stability and durability of metal-organic frameworks (MOFs) is vital for practical applications because many promising MOF materials suffer from phase transitions and/or structural decompositions with humidity being a particularly damaging condition. In mechanical engineering, the frame of buildings and furniture can be stabilized significantly by installing a truss beam. Employing the same principle, we functionalized the organic component of MOF-5 to contain a carbazole moiety that can act as a molecular truss beam by reaching across the corner and forming a stable π–π interaction with a phenyl group on the edge position of the MOF-skeleton. This structural support enhanced the stability of the MOF substantially, allowing the designed MOF to maintain compositional integrity under steam conditions at 90 °C for ~5 days. The unmodified MOF-5 shows clear signs of structural collapse after ~1 h.
Beta2-adrenoreceptor agonist clenbuterol produces transient decreases in alpha-synuclein mRNA but no long-term reduction in protein
Authors: Patterson Joseph R. , Hirst Warren D. , Howe Jacob W. , Russell Christopher P. , Cole-Strauss Allyson , Kemp Christopher J. , Duffy Megan F. , Lamp Jared , Umstead Andrew , Kubik Michael , Stoll Anna C. , Vega Irving E. , Steece-Collier Kathy , Chen Yi , Campbell Anne C. , Nezich Catherine L. , Glajch Kelly E. , Sortwell Caryl E.
Published: May 2022

β2-adrenoreceptor (β2AR) agonists have been associated with a decreased risk of developing Parkinson’s disease (PD) and are hypothesized to decrease expression of both alpha-synuclein mRNA (Snca)and protein (α-syn). Effects of β2AR agonist clenbuterol on the levels ofSncamRNA and α-syn protein were evaluated in vivo (rats and mice) and in rat primary cortical neurons by two independent laboratories. A modest decrease inSncamRNA in the substantia nigra was observed after a single acute dose of clenbuterol in rats, however, this decrease was not maintained after multiple doses. In contrast, α-syn protein levels remained unchanged in both single and multiple dosing paradigms. Furthermore, clenbuterol did not decreaseSncain cultured rat primary cortical neurons, or decreaseSncaor α-syn in mice. Additionally, compared to the single-dose paradigm, repeat dosing resulted in substantially lower levels of clenbuterol in plasma and brain tissue in rodents. Based on our observations of a transient decrease inSncaand no effect on α-syn protein in this preclinical study, these data support the conclusion that clenbuterol is not likely a viable disease-modifying strategy for PD.
Machine-learning ready data on the thermal power consumption of the Mars Express Spacecraft
Authors: Petković Matej , Lucas Luke , Levatić Jurica , Breskvar Martin , Stepišnik Tomaž , Kostovska Ana , Panov Panče , Osojnik Aljaž , Boumghar Redouane , Martínez-Heras José A. , Godfrey James , Donati Alessandro , Džeroski Sašo , Simidjievski Nikola , Ženko Bernard , Kocev Dragi
Published: May 2022

We present six datasets containing telemetry data of the Mars Express Spacecraft (MEX), a spacecraft orbiting Mars operated by the European Space Agency. The data consisting of context data and thermal power consumption measurements, capture the status of the spacecraft over three Martian years, sampled at six different time resolutions that range from 1 min to 60 min. From a data analysis point-of-view, these data are challenging even for the more sophisticated state-of-the-art artificial intelligence methods. In particular, given the heterogeneity, complexity, and magnitude of the data, they can be employed in a variety of scenarios and analyzed through the prism of different machine learning tasks, such as multi-target regression, learning from data streams, anomaly detection, clustering, etc. Analyzing MEX’s telemetry data is critical for aiding very important decisions regarding the spacecraft’s status and operation, extracting novel knowledge, and monitoring the spacecraft’s health, but the data can also be used to benchmark artificial intelligence methods designed for a variety of tasks.
Using machine learning approaches to predict timely clinic attendance and the uptake of HIV/STI testing post clinic reminder messages
Authors: Xu Xianglong , Fairley Christopher K. , Chow Eric P. F. , Lee David , Aung Ei T. , Zhang Lei , Ong Jason J.
Published: May 2022

Timely and regular testing for HIV and sexually transmitted infections (STI) is important for controlling HIV and STI (HIV/STI) among men who have sex with men (MSM). We established multiple machine learning models (e.g., logistic regression, lasso regression, ridge regression, elastic net regression, support vector machine, k-nearest neighbour, naïve bayes, random forest, gradient boosting machine, XGBoost, and multi-layer perceptron) to predict timely (i.e., within 30 days) clinic attendance and HIV/STI testing uptake after receiving a reminder message via short message service (SMS) or email). Our study used 3044 clinic consultations among MSM within 12 months after receiving an email or SMS reminder at the Melbourne Sexual Health Centre between April 11, 2019, and April 30, 2020. About 29.5% [899/3044] were timely clinic attendance post reminder messages, and 84.6% [761/899] had HIV/STI testing. The XGBoost model performed best in predicting timely clinic attendance [mean [SD] AUC 62.8% (3.2%); F1 score 70.8% (1.2%)]. The elastic net regression model performed best in predicting HIV/STI testing within 30 days [AUC 82.7% (6.3%); F1 score 85.3% (1.8%)]. The machine learning approach is helpful in predicting timely clinic attendance and HIV/STI re-testing. Our predictive models could be incorporated into clinic websites to inform sexual health care or follow-up service.
A population genetic analysis of the Critically Endangered Madagascar big-headed turtle, Erymnochelys madagascariensis across captive and wild populations
Authors: White Nina F. D. , Mennell Holly , Power Georgia , Edwards Dominic , Chrimes Luke , Woolaver Lance , Velosoa Juliette , Randriamahita  , Mozavelo Richard , Rafeliarisoa Tsilavo Hasina , Kuchling Gerald , Lopez Javier , Bekarany Ernest , Charles Namotoa , Young Richard , Lewis Richard , Bruford Michael W. , Orozco-terWengel Pablo
Published: May 2022

Erymnochelys madagascariensisis a Critically Endangered turtle endemic to Madagascar. Anthropogenic activity has depleted the wild population by 70% in the last century, and effective conservation management is essential to ensuring its persistence. Captive breeding was implemented to augment depleted populations in the southern part of Ankarafantsika National Park (ANP), when no genetic data were available forE. madagascariensis. It is unknown how much of the natural population’s diversity is encapsulated in captivity. We used eight microsatellite loci and fragments of two mitochondrial genes to identify the genetic structure ofE. madagascariensisin the wild. Captive bred turtles were compared with wild populations in order to assess the representativeness of this ex situ conservation strategy for ANP. Six microsatellite clusters, ten cytochrome b, and nine COI haplotypes were identified across wild populations, with high genetic divergence found between populations in two groups of watersheds. Captive bred individuals represent three out of six sampled microsatellite clusters found in the wild and just one mitochondrial haplotype, possibly due to genetic drift. To improve genetic representation, the strategy of frequent interchange between captive and wild breeders within ANP should be revitalised and, as originally planned, hatchlings or juveniles should not be released beyond ANP.
Energy and economic efficiency of climate-smart agriculture practices in a rice–wheat cropping system of India
Authors: Kakraliya S. K. , Jat H. S. , Singh Ishwar , Gora M. K. , Kakraliya Manish , Bijarniya Deepak , Sharma P. C. , Jat M. L.
Published: May 2022

Intensive tillage operations, indiscriminate use of irrigation water, chemical fertilizers, and pesticides and crop biomass burning have made the conventional rice–wheat (RW) system highly energy-intensive and inefficient. In the recent past, portfolios of climate-smart agricultural practices (CSAP) have been promoted as a potential alternative to improve the energy efficiency in conventional RW system. Therefore, to evaluate the energy input–output relation, energy flow and economic efficiency in various combinations of crop management options, a 3-year (2014–2017) on-farm study was conducted at Karnal, India. Various portfolio of management practices; Sc1-Business as usual (BAU) or Conventional tillage (CT) without residue, Sc2-CT with residue, Sc3-Reduce tillage (RT) with residue + recommended dose of fertilizer (RDF), Sc4-RT/Zero tillage (ZT) with residue + RDF, Sc5-ZT with residue + RDF + GreenSeeker + Tensiometer, Sc6-Sc5 + Nutrient expert were investigated. Present study results revealed that net energy, energy use efficiency and energy productivity were 11–18, 31–51 and 29–53% higher under CSAP (mean of Sc4, Sc5 and Sc6) in RW system than Sc1, respectively. However, renewable and non-renewable energy inputs were 14 and 33% higher in Sc1 compared to CSAP (4028 and 49,547 MJ ha−1), respectively, it showed that BAU practices mostly dependents on non-renewable energy sources whereas CSAP dependents on renewable energy sources. Similarly, the adoption of CSAP improved the biomass yield, net farm income and economic efficiency by 6–9, 18–23 and 42–58%, respectively compared to Sc1. Overall, the adoption of CSAP could be a viable alternative for improving energy use efficiency, farm profitability and eco-efficiency in the RW system.
Iron oxide nanoflowers encapsulated in thermosensitive fluorescent liposomes for hyperthermia treatment of lung adenocarcinoma
Authors: Theodosiou Maria , Sakellis Elias , Boukos Nikos , Kusigerski Vladan , Kalska-Szostko Beata , Efthimiadou Eleni
Published: May 2022

Magnetic hyperthermia (MHT) is in the spotlight of nanomedical research for the treatment of cancer employing magnetic iron oxide nanoparticles and their intrinsic capability for heat dissipation under an alternating magnetic field (AMF). Herein we focus on the synthesis of iron oxide nanoflowers (Nfs) of different sizes (15 and 35 nm) and coatings (bare, citrate, and Rhodamine B) while comparing their physicochemical and magnetothermal properties. We encapsulated colloidally stable citrate coated Nfs, of both sizes, in thermosensitive liposomes via extrusion, and RhB was loaded in the lipid bilayer. All formulations proved hemocompatible and cytocompatible. We found that 35 nm Nfs, at lower concentrations than 15 nm Nfs, served better as nanoheaters for magnetic hyperthermia applications. In vitro, magnetic hyperthermia results showed promising therapeutic and imaging potential for RhB loaded magnetoliposomes containing 35 nm Nfs against LLC and CULA cell lines of lung adenocarcinoma.
The superior beneficial effects of exercise training versus hormone replacement therapy on skeletal muscle of ovariectomized rats
Authors: Silva Sara Barros , Honorato-Sampaio Kinulpe , Costa Sabrina Paula , Domingues Talita Emanuela , da Cruz Timilly Mayra Martins , Rodrigues Cíntia Maria , Costa Karine Beatriz , dos Santos Jousielle Márcia , da Silva Lage Vanessa Kelly , Gaiad Thais Peixoto , Santos Ana Paula , Dias-Peixoto Marco Fabrício , Coimbra Cândido Celso , dos Reis Adelina Martha , Szawka Raphael Escorsim , Figueiredo Pedro Henrique Scheidt , Costa Henrique Silveira , Oliveira Murilo Xavier , Mendonça Vanessa Amaral , Lacerda Ana Cristina Rodrigues
Published: May 2022

Previous studies have highlighted the positive effects of Estradiol (E2) replacement therapy and physical exercise on skeletal muscle during menopause. However, the comparison effects of exercise training (ET) and estradiol replacement therapy during menopause on skeletal muscle have not been investigated to date. This study aimed to compare the effects of endurance exercise training versus E2 replacement therapy on mitochondrial density, redox status, and inflammatory biomarkers in the skeletal muscle of ovariectomized rats. Thirty female Wistar rats (12-week-old) were randomly assigned into three groups: Untrained ovariectomized rats (UN-OVX, n = 10); untrained ovariectomized rats treated with estradiol replacement therapy (E2-OVX); and, trained ovariectomized rats (TR-OVX). After ovariectomy, the E2-OVX rats were treated subcutaneously with E2 (implanted Silastic® capsule containing 360 μg of 17β-estradiol/mL) while the TR-OVX group performed an exercise training protocol (50–70% of maximal running speed on a treadmill, 60 min/day, 5 days/week for 8 weeks). After euthanasia, the soleus muscle was processed for histological and biochemical evaluations. Only exercise prevented the reduction of maximal oxygen consumption and increased mechanical efficiency (ME). While mitochondrial muscle density, total antioxidant capacity (FRAP), catalase (CAT) activity, and interleukin 10 levels were higher in TR-OVX, only OVX-E2 presented higher CAT activity and lower interleukin 6 levels. Endurance exercise training compared with E2 replacement therapy maintains the aerobic capacity improving the ME of OVX rats. In addition, only endurance exercise training raises the skeletal muscle mitochondrial content and tends to balance the redox and inflammatory status in the skeletal muscle of OVX rats.
Effect of high-level fine particulate matter and its interaction with meteorological factors on AECOPD in Shijiazhuang, China
Authors: Song Beibei , Zhang Huiran , Jiao Libin , Jing Zeng , Li Honglin , Wu Siyu
Published: May 2022

Epidemiological evidence of the effect of high-level air pollution and its interaction with meteorological factors on the risk of acute exacerbation of chronic obstructive pulmonary disease (AECOPD) is limited. Daily data on AECOPD cases, air pollutants and meteorological factors were collected from 2015 to 2018 in Shijiazhuang. A distributed lag non-linear model (DLNM) was used to explore the lag and cumulative effect of PM2.5 on the risk of AECOPD. The effect of the interaction between PM2.5 and meteorological factors on AECOPD was estimated by a generalized additive model (GAM) and a stratification model. A total of 4766 patients with AECOPD were enrolled. After controlling for confounders, each 10 μg/m3 increase in PM2.5 led to a 5.8% increase in the risk of AECOPD on day lag 0. The cumulative effect of PM2.5 on AECOPD risk showed an increasing trend after 3 days. Similar results were observed in both smoking and non-smoking patients. There was an interaction between PM2.5 and meteorological factors, and the risk of AECOPD was higher in cold and lower humidity conditions than in other conditions. High-level PM2.5 exposure is positively associated with the risk of AECOPD onset, and the effect of PM2.5 can be modified by the temperature and relative humidity. Public health guidelines should pay close attention to AECOPD risk under the condition of high-level PM2.5 with low temperature or low humidity.
Controlling surface porosity of graphene-based printed aerogels
Authors: Zhou Binghan , Chen Zhuo , Cheng Qian , Xiao Mingfei , Bae Garam , Liang Dongfang , Hasan Tawfique
Published: May 2022

The surface porosity of graphene-based aerogels strongly influences their performance in applications involving mass transfer. However, the factors determining the surface porosities are not well-understood, hindering their application-specific optimisation. Here, through experiments and hydrodynamic simulations, we show that the high shear stress during the graphene-based aerogel fabrication process via 3D printing leads to a non-porous surface. Conversely, crosslinking of the sheets hinders flake alignment caused by shearing, resulting in a porous surface. Our findings enable fine control of surface porosity of printed graphene-oxide aerogels (GOA) through regulation of the crosslinking agents and shear stress. Using this strategy, we demonstrate the performance advantages of GOA with porous surface over their non-porous counterpart in dye adsorption, underscoring the importance of surface porosity in certain application scenarios.
Ecology and evolution of chlamydial symbionts of arthropods
Authors: Halter Tamara , Köstlbacher Stephan , Collingro Astrid , Sixt Barbara S , Tönshoff Elena R , Hendrickx Frederik , Kostanjšek Rok , Horn Matthias
Published: May 2022

The phylum Chlamydiae consists of obligate intracellular bacteria including major human pathogens and diverse environmental representatives. Here we investigated the Rhabdochlamydiaceae, which is predicted to be the largest and most diverse chlamydial family, with the few described members known to infect arthropod hosts. Using published 16 S rRNA gene sequence data we identified at least 388 genus-level lineages containing about 14 051 putative species within this family. We show that rhabdochlamydiae are mainly found in freshwater and soil environments, suggesting the existence of diverse, yet unknown hosts. Next, we used a comprehensive genome dataset including metagenome assembled genomes classified as members of the family Rhabdochlamydiaceae, and we added novel complete genome sequences of Rhabdochlamydia porcellionis infecting the woodlouse Porcellio scaber, and of ‘Candidatus R. oedothoracis’ associated with the linyphiid dwarf spider Oedothorax gibbosus. Comparative analysis of basic genome features and gene content with reference genomes of well-studied chlamydial families with known host ranges, namely Parachlamydiaceae (protist hosts) and Chlamydiaceae (human and other vertebrate hosts) suggested distinct niches for members of the Rhabdochlamydiaceae. We propose that members of the family represent intermediate stages of adaptation of chlamydiae from protists to vertebrate hosts. Within the genus Rhabdochlamydia, pronounced genome size reduction could be observed (1.49–1.93 Mb). The abundance and genomic distribution of transposases suggests transposable element expansion and subsequent gene inactivation as a mechanism of genome streamlining during adaptation to new hosts. This type of genome reduction has never been described before for any member of the phylum Chlamydiae. This study provides new insights into the molecular ecology, genomic diversity, and evolution of representatives of one of the most divergent chlamydial families.
A novel target and biomarker benzothiazolyl–naphthalimide probes for precise and selective detection of serum albumin and anticancer activity
Authors: Rani Sudesh , Gupta Saurabh , Luxami Vijay , Paul Kamaldeep
Published: May 2022

N-Benzothiazolyl-1,8-naphthalimide based fluorescent probes were designed and synthesized for selective detection of human serum albumin (HSA) and bovine serum albumin (BSA) among various bioanalytes and further studied for their in vitro anti-proliferative activity against 60 human cancer cell lines.
A ratiometric electrochemical strategy based on Fe (iii) and Pt (iv) for immobilization-free detection of Escherichia coli
Authors: Su Lixia , Su Yonghuan , Liu Bingqian
Published: May 2022

The ratiometric electrochemical strategy for immobilization-free detection of Escherichia coli was constructed by using a capture DNA-polyaniline/copper ferrite nanoparticles/graphene oxide (cDNA-PANI/CuFe2O4/GO) composite as capture probes.
Triazine-pyridine chemistry for protein labelling on tyrosine
Authors: Jiang Hongfei , Zhang Qing , Zhang Yue , Feng Huxin , Jiang Hao , Pu Fan , Yu Rilei , Zhong Zheng , Wang Chaoming , Fung Yi Man Eva , Blasco Pilar , Li Yongxin , Jiang Tao , Li Xuechen
Published: May 2022

Herein, we discover the new reactivity of the 1,3,5-triazine moiety reacting with a phenol group and report the development of biocompatible and catalyst-free triazine-pyridine chemistry (TPC) for tyrosine labelling under physiological conditions and profiling in the whole proteome.
Ir(iii)-catalyzed quadruple C–H activation of N-arylimidazolium and diaryliodonium salts: facile access to polysubstituted imidazo[1,2-f]phenanthridiniums
Authors: Liu Zheng , Li Qian , Yang Chengyong , Zheng Xuesong , Wu Di , Gao Ge , Lan Jingbo
Published: May 2022

N-heterocyclic carbene-directed Ir(iii)-catalyzed cascade C–H arylation/annulation of N-arylimidazolium with diaryliodonium salts has been accomplished for the first time via a quadruple C–H activation strategy.
Ni-catalyzed domino transformation of enopyranoses and 2-iodo phenols/anilines to pyrano cis fused dihydro-benzofurans/indoles
Authors: Bhardwaj Monika , Rasool Bisma , Mukherjee Debaraj
Published: May 2022

A Ni-catalyzed direct access to various pyrano cis-fused dihydro benzofurans and indoles from unsaturated enopyranoses and o-iodo phenols/anilines is developed.
SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery
Authors: Kabova Elena A. , Blundell Charles D. , Muryn Christopher A. , Whitehead George F. S. , Vitorica-Yrezabal Inigo J. , Ross Marta J. , Shankland Kenneth
Published: May 2022

A method for routine molecular crystal structure determination on very small (typically <0.1 mg) amounts of crystalline material using powder X-ray diffraction data from a laboratory-based single-crystal diffractometer is reported.
Phthalocyanine reactivity and interaction on the 6H-SiC(0001)-(3 × 3) surface investigated by core-level experiments and simulations
Authors: Baby Anu , Marcaud Guillaume , Dappe Yannick J. , D’Angelo Marie , Cantin Jean-Louis , Silly Mathieu G. , Fratesi Guido
Published: May 2022

Core-level experiments require new adsorption models for phthalocyanine. Incorporation of Si adatoms into the molecules is energetically convenient.
Explicit solvent theory of salt-induced dielectric decrement
Authors: Buyukdagli Sahin
Published: May 2022

Within the framework of an electrolyte model composed of structured solvent molecules and salt ions coupled by electrostatic and hard-core interactions, we characterize the physical mechanism behind salt-induced dielectric decrement.
Predicting dinitrogen activation by borenium and borinium cations
Authors: Dai Chenshu , Zhu Jun
Published: May 2022

Two frustrated Lewis pairs combining carbene and borenium/borinium cations can activate dinitrogen with particularly low reaction barriers of 9.6 and 7.3 kcal mol−1, respectively, as demonstrated by theoretical calculations.
Drained and undrained heat capacity of swelling clays
Authors: Honorio Tulio , Brochard Laurent
Published: May 2022

In microporous materials, poromechanical drained (open pore) and undrained (close pore) conditions play a role in the thermo-mechanical properties, which can also be affected by specific ion effects.
2,2,3,3,3-Pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunnelling motion
Authors: Wu Bowei , Seifert Nathan A. , Insausti Aran , Ma Jiarui , Oswald Sönke , Jäger Wolfgang , Xu Yunjie
Published: May 2022

Conformational landscapes of 2,2,3,3,3-pentafluoro-1-propanol and its hydrogen-bonded dimer were explored at the molecular level using chirped pulse Fourier transform microwave spectroscopy andab initiocalculations.
High temperature spin crossover behaviour of mononuclear bis-(thiocyanato)iron(ii) complexes with judiciously designed bidentate N-donor Schiff bases with varying substituents
Authors: Bhar Kishalay , Guo Wenbin , Gonidec Mathieu , Nikhil Raj M Venkata , Bhatt Surabhi , Perdih Franc , Guionneau Philippe , Chastanet Guillaume , Sharma Anuj K.
Published: May 2022

We present herein the solvent and substituent dependent diverse spin crossover behaviours of molecular bis-(thiocyanato)iron(ii) complexes with smartly designed bidentate Schiff bases above room temperature.
The impact of AlphaFold2 on experimental structure solution
Authors: Edich Maximilian , Briggs David C. , Kippes Oliver , Gao Yunyun , Thorn Andrea
Published: May 2022

AlphaFold2 predicts protein folds from sequence, which can be used for experimental structural biology, in construction and de novo protein design, prediction of complexes and perhaps even effects of mutations and conformational space exploration.
Structural evolution under physical and chemical stimuli of metastable Au–Fe nanoalloys obtained by laser ablation in liquid
Authors: Basagni Andrea , Torresan Veronica , Marzola Pasquina , Fernàndez van Raap Marcela B. , Nodari Luca , Amendola Vincenzo
Published: May 2022

Laser-generated Au–Fe alloy nanoparticles were exposed to thermal and chemical stimuli, showing that oxidation is crucial in determining phase and physical–chemical properties.
Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols
Authors: Vaidya Gargi Nikhil , Lokhande Shyam Kumar , Shinde Sangita Dattatray , Satpute Dinesh Parshuram , Narang Garvita , Kumar Dinesh
Published: May 2022

The ‘in-water’ nickel-catalyzed chemoselective C3-allylation of (NH)-indoles employing allylic alcohols under mild conditions is reported.
Biocatalytic CO2 fixation initiates selective oxidative cracking of 1-naphthol under ambient conditions
Authors: Ren Pengju , Tan Zijian , Zhou Yingying , Tang Hongzhi , Xu Ping , Liu Haifeng , Zhu Leilei
Published: May 2022

CO2 fixation initiates cracking: the enzymatic ortho-carboxylation activates the singly hydroxylated aromatic ring of naphthalene for the following selective cracking catalyzed by dioxygenase in a cofactor-free one-pot cascade reaction.
Rose bengal photocatalyzed Knoevenagel condensation of aldehydes and ketones in aqueous medium
Authors: Das Anupam , Justin Thomas K. R.
Published: May 2022

Organic photocatalytic knoevenagel condensation: Rose bengal photosensitized Knoevenagel condensation protocol for both aldehyde and ketones are described in aqueous medium.
Zinc-coordinated polydopamine surface with a nanostructure and superhydrophilicity for antibiofouling and antibacterial applications
Authors: Wang Po , Zhang Yi-Lin , Fu Kai-Lai , Liu Zhuang , Zhang Ling , Liu Chen , Deng Yi , Xie Rui , Ju Xiao-Jie , Wang Wei , Chu Liang-Yin
Published: May 2022

A superhydrophilic nanostructured surface of zinc-coordinated polydopamine is formed by the growth and intertwining of the PDA/Zn nanowires via Zn–N and Zn–O bonds, which has potential for preventing biomaterial-associated biofouling and infections.
Unraveling the effects of gas species and surface wettability on the morphology of interfacial nanobubbles
Authors: Hu Kadi , Luo Liang , Sun Xiaoming , Li Hui
Published: May 2022

Molecular dynamics simulations are performed to unravel the morphology dependence of interfacial nanobubbles on surface wettability and gas species.
Oral supramolecular nanovectors for dual natural medicine codelivery to prevent gastric mucosal lesion
Authors: Chen Yun , Zhang Min , Zhao Hua , Liu Yingju , Wang Tingting , Lei Tingting , Xiang Xiaoyan , Lu Luyang , Yuan Ziyi , Xu Jingxin , Zhang Jingqing
Published: May 2022

Industrializable supramolecular nanovectors loaded with dual natural medicine were orally administered to prevent gastric mucosal lesion. The possible mechanisms were clarified.
ZIF-based carbon dots with lysosome-Golgi transport property as visualization platform for deep tumour therapy via hierarchical size/charge dual-transform and transcytosis
Authors: Zhang Xianming , Jiang Junhao , Yu Qinghua , Zhou Ping , Yang Shiyu , Xia Jiashan , Deng Tao , Yu Chao
Published: May 2022

ZIF-derived acid-activated ZCD with lysosome-Golgi transport property can achieve self-monitoring deep-tumour penetration via hierarchical size/charge dual-transformable strategy and Golgi-mediated transcytosis.
Syntheses and biological effects of natural Morinda lactone and derivatives
Authors: Güttlein Patricia , Schrey Hedda , Zeng Haoxuan , Schobert Rainer
Published: May 2022

Morinda lactone, a constituent of Morinda citrifolia and derivatives were synthesised by Tsuji–Trost allylation of vitamin C acetonide. Some derivatives inhibited the growth of microbial biofilms or dispersed them without being antibiotic.
Polymer brush-based erasable and rewritable nanostructured particle surfaces
Authors: Wang Chen , Zhao Hanying
Published: May 2022

Erasable surface structures are fabricated by coassembly of polymer brushes and a “free” block copolymer with a disulfide bond at the block point. After cleavage of the disulfides, peptide and polymer chains can be grafted to the surfaces.
Heteroatom-induced domain electrostatic potential difference in ZnIn2S4nanosheets for efficient charge separation and boosted photocatalytic overall water splitting
Authors: Sun Bojing , Fan Dingge , Chen Xiaoyu , Li Zhenzi , Zhou Wei , Du Yuncehn
Published: May 2022

Al-ZIS nanosheets exhibit a good photocatalytic overall water splitting performance. Al doping induce domain electrostatic potential difference to accelerate the separation efficiency of photogenerated charge carriers.
Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between
Authors: Lavroff Robert H. , Morgan Harry W. T. , Zhang Zisheng , Poths Patricia , Alexandrova Anastassia N.
Published: May 2022

Catalytic systems are complex and dynamic, exploring vast chemical spaces on multiple timescales.
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization
Authors: Wu Chi-Chi , Li Elise Y. , Chou Pi-Tai
Published: May 2022

The reorganization energies may be significantly reduced by molecular symmetry effect.
Unidirectional, highly linear strain sensors with thickness-engineered conductive films for precision control of soft machines
Authors: Mousavi Saeb , Thai Mai Thanh , Amjadi Morteza , Howard David , Peng Shuhua , Do Thanh Nho , Wang Chun H.
Published: May 2022

By drop-casting conductive inks onto the soft 3D printed surfaces, strain sensors of spatially-varying thickness mimicking the inherent surface undulation of the substrate are fabricated with a gauge factor of 151 over a linear strain range of ε = 97%.
Integrating multiple stubs in stepped‐impedance filter aiming for high selectivity
Authors: Sami Abdul , Gomez Laso Miguel Angel , Lopetegi Txema , Arnedo Israel , Calero Ibai , Teberio Fernando , Martin Iglesias Petronilo , Benito David , Arregui Ivan
Published: May 2022

A design technique to include multiple and fully‐controlled transmission zeros (TZs) in the frequency response of rectangular waveguide commensurate‐line stepped‐impedance filters is presented in this letter. These bandpass filters (BPFs) are known for having reduced sensitivities against manufacturing inaccuracies and are composed of multiple waveguide sections. In order to improve their selectivity, 3λg/4 and λg/4‐stubs are included to create multiple TZs around the passband. The proposed technique allows us to add multiple stubs in a single section and, therefore, only minor adjustments in the affected part of the filter are required, which simplifies the overall design process. The technique has been verified with a design example with four TZs (two on each side) near the passband.
COI gene sequencing reveals genetic population structuring and a separate lineage of the green tiger prawn Penaeus semisulcatus in the Gulf of Suez and the Bitter Lakes, Egypt
Authors: Mohammed-Geba Khaled , Yousif Aly
Published: May 2022

The green tiger prawn Penaeus semisulcatus is one of the major commercial trawl crustaceans in the Red Sea, the Arabian Gulf, and the Indian Ocean. Herein, we aimed to assess its genetic diversity and phylogeographic criteria in the North West (NW) of the Red Sea. Prawn samples were collected from the Bitter Lakes; the North; and the South of the Gulf of Suez in Egypt. The hypervariable, 5´ barcode area of the Cytochrome oxidase subunit 1 (COI) gene was PCR-amplified and sequenced in all samples. The resulting sequences were subjected to several genetic, phylogenetic, and population genetics' analyses. Consequently, clear signs of genetic populations’ diversity, expansion; and possible structuring were identified in different areas in the NW Red Sea. Furthermore, extremely discordant genetic connectivity was found between the populations around the Arabian Plate (i.e. of the Red Sea and Strait of Hormuz) and the IndoWest Pacific, resulting in characterizing the Arabian plate populations as a separate lineage of P. semisulcatus. Based on these findings, it is important to investigate whether there are other discriminative genomic, morphological and/or morphometric differences among the genetically identified lineages and populations. Consequently, differential conservational strategies of different populations of this species should be applied in the studied areas.
Detection of deltamethrin remains in mint with an electronic device coupled to chemometric methods
Authors: Amkor Ali , El Barbri Noureddine
Published: May 2022

This article describes the possibility of an electronic device coupled with chemometric methods to detect and discriminate between mint treated with an insecticide containing deltamethrin and the untreated mint. A multisensor system is designed and realized mainly by a commercial metal oxide (MOS) gas sensors array, a data acquisition board, and a personal computer coupled with chemometric methods to achieve the objective. In each experiment, data were collected for 510 s using the multi-sensor system. Then, the principal component analysis (PCA) statistical data projection method and the support vector machine (SVM) machine learning method were exploited to prove the ability of our laboratory prototype to differentiate untreated mint from deltamethrin mint treated. The data projection with principal component analysis algorithm indicates that this method can classify the data with 98% of the variance by the first three main components (PC1, PC2, and PC3) with remarkable separation between mint groups while that the machine support vector (SVM) method was able to distinguish samples with a success rate of 95%. As such, this work offers the ability to identify the mint treated from untreated one using a simple, fast, and inexpensive multi-sensor system.
Face recognition method combining SVM machine learning and scale invariant feature transform
Authors: Hicham Benradi , Ahmed Chater , Abdelali Lasfar
Published: May 2022

Facial recognition is a method to identify an individual from his image. It has attracted the intention of a large number of researchers in the field of computer vision in recent years due to its wide scope of application in several areas (health, security, robotics, biometrics...). The operation of this technology, so much in demand in today's market, is based on the extraction of features from an input image using techniques such as SIFT, SURF, LBP... and comparing them with others from another image to confirm or assert the identity of an individual. In this paper, we have performed a comparative study of a machine learning-based approach using several classification methods, applied on two face databases, which will be divided into two groups. The first one is the Train database used for the training stage of our model and the second one is the Test database, which will be used in the test phase of the model. The results of this comparison showed that the SIFT technique merged with the SVM classifier outperforms the other classifiers in terms of identification accuracy rate.
Slot incorporated high gain Printed RFID Reader Array antenna for 2.4 GHz ISM band applications
Authors: El Ansari Abdelaaziz , Das Sudipta , El Idrissi Najiba El Amrani , El-Arrouch Tarik , Bendali Abdelhak
Published: May 2022

In this paper, a printed 1×8 array antenna operating at 2.4 GHz is proposed for radio frequency identification (RFID) Reader. The proposed array antenna is composed of eight identical modified patch elements. The radiating elements are fed in parallel via a simple 50 Ohm microstrip line matched with a quarter-wave impedance transformer using a T magic power divider to divide the input power into two equal quantities with the same phase. The suggested array configuration is designed using Rogers RT/duroid 5880 substrate having dielectric constant εr= 2.2, dielectric loss tangent = 0.0009, and substrate’s height of 1.56mm. The overall dimension of the 1×8 array antenna is 117×475mm2. The proposed array antenna shows good impedance matching, high gain and directional radiation patterns. The proposed array antenna has a high gain about of 14.61dBi, high radiation efficiency of 98.3%, and a good reflection coefficient S11 of -13.14dB and voltage standing wave ratio (VSWR) of 1.56 at 2.4 GHz.
A New Configuration Of Broadband Patch Antenna With Circular Polarization For Wireless Power Transmission
Authors: Fatima Ouberri , Abdelali Tajmouati , Noha Chahboun , Larbi El Abdellaoui , Ahmed Lakhssassi
Published: May 2022

An innovative design of a circular polarization antenna for wireless power transmission is described. The suggested antenna is simply constructed, which consists of a square radiating patch having a slotted center with feeding via a probe and an L-shaped ground plane. The application of this L-shaped ground allows a short connection of the probe power supply to the square patch while retaining a certain elevation from the ground plane to the square patch while using an air layer substrate, thereby allows a proper adaptation of the impedance and an improvement of the bandwidth. The purpose of utilizing the slot in the center of the square patch is to create a circular polarization with an axial ratio value of under 3dB. By means of a through-hole through the vertical L-shaped ground plane, the patch radiating can be readily excited with a probe feed pointing into the same plane as the patch. This approach allows to further improve the bandwidth of the circular polarization. In this way, the CP bandwidth of the proposed antenna is significantly extended by about 10% and a good impedance matching over a wide bandwidth is obtained. The features of the proposed design are investigated and optimized using a 3D electromagnetic (EM) solver. It was found that the proposed antenna covers a broad band of 425MHz, has a 3 dB axial ratio CP bandwidth of approx. 85% of the resonant band, and a gain level of 7.4 dBi or more in the bandwidth of the resonant band. Besides the low cost of the proposed antenna arising from its simplest structure, the resulting performance leads the antenna to be a strong candidate among circularly polarized, single element, and single feed patch antennas.
MRTP – A Novel Real-time Protocol for Patient-Doctor Online Meetings and Monitoring
Authors: Al Khatib Iyad
Published: May 2022

This paper presents the design of a novel Voice over IP (VoIP) protocol that carries real-time voice and medical data in the same stream while preserving good quality of service (QoS) for online medical care. The work deliberates the reasons for the choice of the Session Initiation Protocol (SIP). The proposed medical real-time protocol (MRTP) is designed to be compatible with the existing Real Time Protocol (RTP) and has advanced features for medical data transmission. The MRTP leverages the real-time performance due to less overhead i.e., less delays. A major challenge is that some medical data is life-critical i.e., losses may cause harm. Hence, reliability and satisfactory QoS are crucial. A major result is the decrease in average-delay by around 74% compared to concurrently utilizing RTP for the audio part and TCP-connections (sockets) for the same medical data.
High gain of 28 GHz transparent antenna for 5G NR Networks
Authors: Al Rimi Ahmed Abbas , Hati Khalid , Zugari Asmaa , Aghoutane Mohamed
Published: May 2022

A new compact transparent patch antenna for 5G new radio (NR) is presented in this paper. Small rectangles are cut out from the patch to produce the desired frequency 28 GHz. The AgHT-8 material is used to from the radiator and the ground of the antenna while the glass is used as a substrate with a relative permittivity of εr = 4.6, tanδ = 0.0036 and thickness of 1.1mm. The suggested antenna occupies a small footprint of only 104,72 mm2 (11mm x 9.52 mm). The frequency bandwidth operation of the antenna is 3.624GHz (26.369 - 29.993 GHz) centered at 28GHz, the efficiency is 76% and the gain is about 5.1 dBi. The excellent performance allows the transparent antenna suitable for 5G applications.