bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assembly processes underlying bacterial community differentiation among geographically close mangrove forests
Authors: Liu Lu , Wang Nan , Liu Min , Guo Zixiao , Shi Suhua 
Published: March 2023

AbstractBacterial communities play pivotal roles in nutrient cycling in mangrove forests. The assembly of mangrove microbial communities has been found to be influenced by complex factors, such as geographic distance, physicochemical conditions, and plant identity, but the relative importance of these factors and how these factors shape the assembling process remain elusive. We analyzed the bacterial communities sampled from three mangrove species (Aegiceras corniculatum, Bruguiera sexangula, and Kandelia obovata) at three locations along the estuarine Dongzhai Harbor in Hainan, China. We revealed larger differences in rhizosphere bacterial communities among geographical locations than among plant species, indicated by differences in diversity, composition, and interaction networks. We found that dispersal limitation and homogeneous selection have substantial contributions to the assembly of mangrove rhizosphere bacterial communities in all three locations. Following the phylogenetic‐bin‐based null model analysis (iCAMP) framework, we also found dispersal limitation and homogeneous selection showing dominance in some bins. The greater differences among geographic locations may be mainly attributed to the larger proportions of dispersal limitation even at such a short geographic distance. We also found that beta diversity was positively correlated with environmental distances, implying that the more similar environmental conditions (such as rich carbon and nitrogen contents) among plant species may have shaped similar bacterial communities. We concluded that the geographic distances, which are associated with dispersal limitation, played a key role in assembling mangrove rhizosphere bacterial communities, while physicochemical conditions and plant identity contributed less.
Design of a compact magneto‐electric dipole antenna
Authors: Xu Yanhong , Zhou Mengli , Wang Anyi , Hou Jianqiang 
Published: March 2023

AbstractIn this letter, a compact magneto‐electric (ME) dipole antenna is designed and analyzed without compromising too much good performance of the ME dipole. In particular, the second‐order Minkowski‐like fractal structure is loaded on the planar electric dipole to effectively miniaturize the aperture size of the antenna. A prototype was fabricated and measured. The antenna volume is reduced by 24.6% when compared with the counterpart before the fractal. Meanwhile, the proposed antenna can achieve a bandwidth of 56% in terms of −10 dB ranging from 1.58 to 2.81 GHz. The radiation pattern of E‐ and H‐planes are basically identical. The cross‐polarization level is less than −25 dB, and the front‐to‐back ratio is larger than 14 dB. The maximum antenna gain can be up to 10.1 dBi. The measured results are in good agreement with the simulated ones.
Otorhinologic Disorders in 22q11.2 Deletion Syndrome
Authors: Lu Nathan , Kacin Alexa J. , Shaffer Amber D. , Stapleton Amanda L. 
Published: March 2023

AbstractObjectiveInvestigate incidence and natural history of otologic and sinonasal disease associated with 22q11.2 deletion syndrome.Study DesignCase series.SettingTertiary care children's hospital.MethodsCharts from consecutive children born 2000 to 2018 with a diagnosis of 22q11.2 deletion, DiGeorge, or velocardiofacial syndrome based on the International Classification of Diseases (ICD)‐9 and ICD‐10 codes were reviewed. Otologic and rhinologic diagnoses and surgeries and immune and microbiologic laboratory findings were collected from the medical record.ResultsAfter the exclusion of patients with no 22q11.2 deletion (n = 101), otologic care at an outside hospital (n = 59), and loss to follow‐up prior to 3 years of age (n = 22), 128 were included. Males comprised 80 (62.5%) patients, 115 (89.8%) were white, and the median age at genetic confirmation of 22q11.2 deletion was 119 days (range 0 days to 14.6 years). Recurrent acute otitis media (RAOM), chronic otitis media with effusion, chronic rhinosinusitis, and recurrent acute sinusitis were diagnosed in 54 (42.2%), 37 (28.9%), 10 (7.8%), and 8 (6.3%), respectively. Tympanostomy tubes were placed in 49 (38.3%). Adenoidectomy and sinus surgery were performed in 38 (29.7%) and 4 (3.1%), respectively. Neither immunoglobulin nor cluster of differentiation deficiency increased the odds of RAOM diagnosis, tympanostomy tube placement, or chronic/recurrent sinusitis. Methicillin‐resistant Staphylococcus aureus was the most common organism in sinus cultures (4/13, 30.8%). Streptococcus pneumonia dominated otorrhea cultures (11/21, 52.4%).ConclusionApproximately half of children with 22q11.2 deletion may experience otologic disease that often requires surgical management. Future studies will utilize a larger cohort to examine the role of immunodeficiency in otologic and rhinologic disease in this population.
Fabrication of high‐strength magnetically responsive hydrogels by synergistic salting‐out and freezing–thawing and application of their shape deformation and swimming
Authors: Shu Zhen , Cao Qinglong , Muhammad Usman , Zhang Taoyi , Ji Wenxi , Chen Jing , Liu Cong , Wei Yun 
Published: March 2023

AbstractSmart hydrogels have been known for their remarkable applications in various fields of research. Among these smart hydrogels, magnetically responsive hydrogels are more famous because of the ease of their manipulation and a much quicker magnetic response. However, many magnetic hydrogels exhibit fragile and brittle properties. In this study, a smart combination of salting‐out and cyclic freezing–thawing was utilized for the first time to deal with sodium alginate/polyvinyl alcohol based magnetic hydrogel. The optimized magnetic hydrogel has outstanding mechanical properties with 6.66 MPa at the elongation at break of 282%, Young's modulus of 2.51 MPa, and worked with extension at fracture Wext of 9.31 MJ m−3. The magnetic hydrogel could be easily controlled by magnet, such as swim freely in water when controlled by three‐dimensional electromagnetic field. All the results show that these newly fabricated magnetic hydrogel can also carry out many difficult tasks in terms of magnetic response mechanics. This type of tough and magnetically responsive hydrogels can be used for numerous applications such as in swimming robots, flexible gripper, bionic of natural cartilage.
New experimental evidence for pervasive dynamics in proteins
Authors: Zuiderweg Erik R.P. , Case David A. 
Published: March 2023

AbstractThere is ample computational, but only sparse experimental data suggesting that pico‐ns motions with 1 Å amplitude are pervasive in proteins in solution. Such motions, if present in reality, must deeply affect protein function and protein entropy. Several NMR relaxation experiments have provided insights into motions of proteins in solution, but they primarily report on azimuthal angle variations of vectors of covalently‐linked atoms. As such, these measurements are not sensitive to distance fluctuations, and cannot but under‐represent the dynamical properties of proteins. Here we analyze a novel NMR relaxation experiment to measure amide proton transverse relaxation rates in uniformly 15N labeled proteins, and present results for protein domain GB1 at 283 and 303 K. These relaxation rates depend on fluctuations of dipolar interactions between 1HN and many nearby protons on both the backbone and sidechains. Importantly, they also report on fluctuations in the distances between these protons. We obtained a large mismatch between rates computed from the crystal structure of GB1 and the experimental rates. But when the relaxation rates were calculated from a 200 ns molecular dynamics trajectory using a novel program suite, we obtained a substantial improvement in the correspondence of experimental and theoretical rates. As such, this work provides novel experimental evidence of widespread motions in proteins. Since the improvements are substantial, but not sufficient, this approach may also present a new benchmark to help improve the theoretical forcefields underlying the molecular dynamics calculations.
Nine‐year organic fertilization enhances poorly crystalline iron hydroxide formation and phosphorus availability in a temperate rice–wheat cropping system
Authors: Qin Jiali , Han Xinci , Jia Zhixin , Li Yunyan , Zhang Dandan , Li Lina , Xie Junyu , Li Li , Li Tingliang , Huang Xiaolei , Ling Ning , Yu Guanghui 
Published: March 2023

AbstractPhosphorus (P) is typically associated with iron (Fe) hydroxides in paddy soils. Our study investigated the impact of different fertilization treatments on the availability of P regulated by Fe redox transformation in a rice (Oryza sativa L.)–wheat (Triticum aestivum L.) cropping system in the mid‐low reaches of the Yangtze River. Five fertilization treatments were examined: control (CK), chemical fertilizer (CF), 35% CF (P) plus pig manure compost (CFM), 100% CF (P) plus straw (CFS), and 35% CF (P) plus pig manure compost and straw (CFMS). Nine‐year rice–wheat rotations increased the oxalate‐extractable poorly crystalline Fe hydroxides (i.e., Feo) by 33%–87% compared with the initial soil, while fertilization further accelerated this process. Compost application increased the proportion of labile P by 75%–108% and decreased the proportion of non‐labile P by 14%–22% compared with the single chemical fertilization treatment. Furthermore, organic fertilization increased the mass proportions of macroaggregates and macroaggregate‐associated labile P. The Feo was positively correlated with the content of labile P but negatively correlated with the proportion of non‐labile P. Moreover, the reductive dissolution of Fe hydroxides was accompanied by the transformation of P from NaOH‐extractable to NaHCO3‐ and H2O‐extractable phases. These results indicate that seasonal alternation of drying and wetting can progressively drive the redox transformation of Fe hydroxides and promote the formation of Feo, thereby affecting the availability of P. Therefore, we suggested that P fertilizer should be reduced in the rice season due to the reduction of Fe hydroxides, particularly in the compost‐amended soils in the temperate rice–wheat cropping system.
Pyrrole‐Based Schiff‐Bases: Synthesis, Fluorescent Properties, Molecular Docking and in silico ADME/Tox Profiling Studies
Authors: Özcan Hafize 
Published: March 2023

AbstractCondensation reactions of methyl 5‐formyl‐1H‐pyrrole‐2‐carboxylate with 4‐aminobenzonitrile and N, N‐dimethyl‐p‐phenylenediamine yielded two conjugated Schiff bases with pyrrole rings. Fluorescence spectroscopy was used to examine the molecules′ selectivity for different metal salts, and it was discovered that the PL1 molecule was selective for the Pb2+ ion. In addition, the interactions of the same molecules with the polo‐like kinase 1 (PLK1) enzyme were investigated by molecular docking with the Autock Tools 1.5.6 program, and the synthesized Schiff bases formed stable complexes with the PLK1 with binding affinity values of −6.5 and −6.4 kcal/mol for PL1 and PL2 respectively. The SwissADME and ADMET web tools were used to calculate in silico ADME/Tox profiles of the synthesized molecules.
Synthesis, Optimization, and Evaluation of the Inclusion Complex of Ibuprofen‐Hydroxypropyl‐beta‐cyclodextrin: An in Vitro and in Silico Study“
Authors: Amirinejad Mostafa , Haghighizadeh Atoosa , Nejabat Mojgan , Etemad Leila , Rajabi Omid 
Published: March 2023

AbstractIbuprofen is a widely‐used non‐steroidal anti‐inflammatory drug, which belongs to class II of Biopharmaceutics classification system with low aqueous solubility and dissolution rate and bioavailability problems. This study was conducted to synthesis, optimization, and evaluation of the inclusion complex of ibuprofen‐hydroxypropyl‐beta‐cyclodextrin to overcome the challenges. Complex of ibuprofen and hydroxypropyl‐beta‐cyclodextrin (HPβCD) was prepared by co‐evaporation method in different ratios of solvents (methanol, ethanol, and distilled water were used as solvent systems). In order to find out the optimum solvent ratio, molecular dynamics simulations were performed by NAMD 2.9 software. Differential scanning calorimetry was applied to assess the complexes crystallinity and thermal behaviors. Also, Fourier transform infrared was used to monitor structural changes. Furthermore, the solubility and dissolution profiles of complexes were evaluated and compared. Complexation with HPβCD was able to reduce crystallinity and improve the thermal stability, water solubility, and dissolution profile of all synthesized complexes. HPβCD complexation using ethanol and water solvents in the ratio of 9 : 1 and 3 : 1, increased the aqueous solubility of ibuprofen by 1155 % and 874 %, respectively that was considered as the optimum approach. The results indicated that complexation with HPβCD may be of potential use for improving the ibuprofen dissolution rate and bioavailability.
Design and Synthesis of New Triazole‐Benzimidazole Derivatives as Potential PRMT5 Inhibitors
Authors: Rao Katharu Srinivasa , Nalla Kirankumar , Ramachandraiah Chennuru , Chandrasekhar Kothapalli Bannoth , Kanade Santosh Raja , Saha Sanjay 
Published: March 2023

AbstractThe art of developing potential anticancer molecules involves a reasonable selection of core moiety and tethering with biologically active pharmacophores. We report a library of rationally designed twelve triazole tethered benzimidazole molecules as novel potential inhibitors for cancer. Their synthesis followed a facile copper‐catalysed cycloaddition reaction with good yields. Although in‐silico molecular docking studies of the synthesized compounds with epigenetic protein viz., PRMTs showed inhibition, the compounds bearing amino acid and aryl groups exhibited excellent performance. The potential anticancer activity of the library of molecules are further evaluated in vitro against the selected cancer cell lines (MCF‐7, DU145, PC3 and HepG2) besides methylation assays. In vitro results revealed that the compounds bearing amino acid and aryl groups exhibited better activity and particularly, 3‐CF3‐phenyl derivative (IC50=4.11 μm against MCF‐7) exerted prominent anticancer potency against all the tested cell lines. The observed strong anticancer potency of lead compound is supported by its strong binding nature noted in in‐silico molecular docking studies.
A Selective and Reversible Fluorescent Probe for Cu2+ and GSH Detection in Aqueous Environments
Authors: Wang Zaiwu , Li Zuyao , Huang Junhao , Han Shu , Li Xueming , Wang Zizhou 
Published: March 2023

AbstractCu2+ and Biothiols play a critical role in diverse biological processes in organisms. Herein, we reported using a well‐known ESPT molecule 2‐(2’‐Pyridyl)benzimidazol(PBI) as a fluorescent probe to detect Cu2+ and GSH in aqueous solution. PBI presented a rapid fluorescence “ON‐OFF” response on Cu2+ over other metal cations, with a low detection limit (39.4 nM), and also been applied in real water samples detection. Through mass spectroscopy, single crystal X‐ray diffraction and DFT calculation, we confirmed that two PBI molecules would form a stable complex with one Cu2+. After adding GSH, PBI‐Cu2+ complex would release the free probe, and the “on‐off‐on” recognition process to achieve continuous detection of Cu2+ and GSH.
Controlling the Molecular Shuttling of pH‐Responsive [2]Rotaxanes with Two Different Stations
Authors: Takiguchi Nanami , Yamazaki Shohei , Murata Michihisa , Kawano Shintaro , Shizuma Motohiro , Muraoka Masahiro 
Published: March 2023

AbstractA novel synthesis of degenerate [2]rotaxanes with two different amine stations is presented. Variable‐temperature 1H NMR and rotating‐frame nuclear Overhauser effect correlation spectroscopy experiments revealed that the addition of trifluoroacetic acid initiates molecular shuttling. The activation barrier for the motion remained constant even when the amine in the outer station was changed. Conversely, the addition of camphorsulfonic acid caused a rotational motion, which was demonstrated by synthesizing a new [2]rotaxane without an outer station and examining its molecular behavior in the presence of acid.
A Plasmonic Fluor‐Lightened Microneedle Array Enables Ultrasensitive Multitarget Whole Blood Diagnosis of Anemia in A Paper Origami‐Based Device
Authors: Wu Jing , Liu Yong , Peng Lijun , Liu Qisijing , Wang Dawei , Jing Xu , Hu Yaozhong , Lin Jing , Fu Hanyue , Ji Xuemeng , Liu Jingmin , Lv Huan , Peng Bo , Zhang Bowei , Guo Liqiong , Wang Shuo 
Published: March 2023

AbstractThis work reports a portable, origami‐type paper device with a plasmonic fluor‐labeled microneedle sensing module for the multiplexed quantification of anemia biomarkers in whole blood. Sequential steps, including serum separation, target enrichment, and multiplexed readout by a gel imager, are rapidly accomplished with the flexible and highly integrated device. The microneedle array enabled efficient sampling of trace targets from ng mL−1 to pg mL−1 level. Combined with the plasmonic fluor label, the signal is improved by ≈7.6 folds compared with the flat substrate‐based assay. The device is applied to simultaneously quantify hemoglobin (Hb), ferritin, folic acid (FA), and vitamin B12 (VB12), which are four anemia biomarkers distributed in different environments with different concentration ranges. Featured by the small sample volume (150 µL), short assay time (20 min), low cost (2 $), robust stability, and user‐friendliness, the device is promising for the rapid and accurate diagnosis of anemia in real practice.
Synthesis of Bitten Gold Nanoparticles with Single‐Particle Chiroptical Responses
Authors: Zhang Han , Chen Yang , Chui Ka Kit , Zheng Jiapeng , Ma Yicong , Liu Danjun , Huang Zhifeng , Lei Dangyuan , Wang Jianfang 
Published: March 2023

AbstractThe introduction of structural complexity to nanoparticles brings them interesting properties. Regularity breaking has been challenging in the chemical synthesis of nanoparticles. Most reported chemical methods for synthesizing irregular nanoparticles are complicated and laborious, largely hindering the exploration of structural irregularity in nanoscience. In this study, the authors have combined seed‐mediated growth and Pt(IV)‐induced etching to synthesize two types of unprecedented Au nanoparticles, bitten nanospheres and nanodecahedrons, with size control. Each nanoparticle has an irregular cavity on it. They exhibit distinct single‐particle chiroptical responses. Perfect Au nanospheres and nanorods without any cavity do not show optical chirality, which demonstrates that the geometrical structure of the bitten opening plays a decisive role in the generation of chiroptical responses.
Untersuchung eines Ingenieurmodells zur Abschätzung des seismischen Verhaltens mobiler Großgeräte
Authors: Kloos, geb. Groß Mirjam , Sadegh‐Azar Hamid 
Published: March 2023

AbstractFür mobile Großgeräte in seismisch aktiven Regionen ist die seismische Standsicherheit ein wesentliches und oft maßgebliches Auslegungskriterium. Das seismische Verhalten dieser Großgeräte ist i. d. R. durch komplexe nichtlineare Verhaltensarten (Abheben, Kippen, Schaukeln) geprägt, welche in der Praxis schwer berechnet und bewertet werden können. In dieser Studie wird schrittweise ein stark vereinfachtes Ingenieurmodell für die Praxis vorgestellt bzw. entwickelt, das die wesentlichen Grundzüge des nichtlinearen Verhaltens von mobilen Großgeräten quer zur Schiene unter seismischer Anregung abbilden soll. Die in vorangegangenen Untersuchungen festgestellte typische Schaukelbewegung der Großgeräte bei Erdbeben soll sich im vereinfachten Modell widerspiegeln. Das Ingenieurmodell wird derart ausgebildet, dass es in der Lage ist, mit einfachen Berechnungen qualitative Aussagen über Abheben und Schaukeln bzw. Kippen in Abhängigkeit von wesentlichen Modellparametern und der seismischen Anregung wiederzugeben. Hierfür werden vereinfachte seismische Kippspektren hergeleitet. Die Tauglichkeit und Anwendbarkeit dieser Kippspektren zur Beurteilung von Abhebe‐ und Schaukeltendenzen für mobile Großgeräte wird am Beispiel von repräsentativen Reihen von Schaufelradgeräten und Absetzern überprüft. Darüber hinaus werden Parameter zur quantitativen Anwendung der Kippspektren für weitere typische mobile Großgeräte bestimmt und die Anwendungsgrenzen ermittelt.
[11C]PBB3 binding in Aβ(–) or Aβ(+) corticobasal syndrome
Authors: Cselényi Zsolt , Wallin Johan , Tjerkaski Jonathan , Bloth Björn , Svensson Samuel , Nennesmo Inger , Sunnemark Dan , Jelic Vesna , Farde Lars , Svenningsson Per 
Published: March 2023

AbstractCorticobasal syndrome (CBS) is associated with 4‐repeat tauopathy and/or Alzheimer's disease pathologies. To examine tau and amyloid‐β (Aβ) deposits in CBS patients using positron emission tomography (PET). Eight CBS patients and three healthy individuals lacking amyloid pathology underwent PET with [11C]PBB3 for tau imaging, and [11C]AZD2184 for Aβ. Subcortical and cortical binding of [11C]PBB3 was compared between Aβ(–) and Aβ(+) CBS patients and reference group. Postmortem analysis was done in one CBS patient. Three CBS patients were considered Aβ(+). Total binding was higher in all patients compared to the reference group. Similar regional binding profiles of [11C]PBB3 in Aβ(+) and Aβ(–) CBS patients were found. Elevated [11C]PBB3 binding in pallidum was observed in all CBS patients. Cortical [11C]PBB3 binding was higher in Aβ(+) compared to Aβ(–) patients. Postmortem analysis of a CBS patient revealed corticobasal degeneration neuropathology and [11C]PBB3 autofluorescence in some tau‐positive structures. [11C]PBB3 is elevated in CBS patients with binding in relevant areas capturing some, but not all, 4‐repeat tauopathy in CBS.
Exploiting graphene oxide as a potential additive to improve the performance of cold‐mixed epoxy asphalt binder
Authors: Si Jingjing , Shao Xiaoyang , Li Jie , Ma Hui , Wang Junyan , Ruan Wei , Yu Xin 
Published: March 2023

AbstractAs a green material for high‐performance paving, cold‐mixed epoxy asphalt (CEA) should be improved in compatibility, mechanical performance, and thermal stability. This work is going to estimate the potential of graphene oxide (GO) as an additive for preparing GO/CEA composites with different GO content from 0 to 0.2 wt%. The influences of GO on the structure and performances of CEA were evaluated by Fourier transform‐infrared spectrum, fluorescence microscopy, viscosity, thermogravimetric analysis, tensile test, and dynamic mechanical analysis. Results showed that the functional groups on GO reacted with CEA and improved the compatibility of epoxy resin and asphalt. The viscosity of the GO/CEA composites increased slightly and the pot life decreased significantly, with GO loading increasing. The cured GO/CEA composite with 0.1 wt% GO had the best heat resistance and showed a gentle thermal decomposition. GO improved the toughness of the cured CEA and had a certain weakening effect on its strength. The introduction of GO lowered the glass transition temperature of the cured CEA from 51.4 to 47.1 °C and decreased its storage modulus. The preliminary exploration of this study shows that the modification of GO for CEA is feasible, and it is expected to prolong the service life of CEA.