bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antimicrobial Susceptibility Profile of Fosfomycin and Nitrofurantoin despite Dissemination of Fluoroquinolones and Trimethoprim/ Sulfamethoxazole Resistant Urinary Tract Isolates
Authors: Mohamed Abdikarim Hussein , Mohamud Hussein Ali , Eraslan Aşır , Gur Metin , Mohamud Abdinur Farah 
Published: February 2022

The widespread growth of multidrug-resistant (MDR), extended drug resistant (XDR) uropathogens and the shortage of new antimicrobials are the most significant obstacles challenging the treatment of urinary tract infections. The study is aimed to identify the antimicrobial susceptibility profile against MDR and XDR uropathogens. A total of 2485 urine samples were processed from 2267 patients, 361 uropathogens were grown. The antimicrobial susceptibility was determined by the Kirby-Bauer disk diffusion method, following the Clinical and Laboratory Standards Institute’s guidelines. Eighty-nine percent of the samples had Multidrug-resistant microorganisms, while 32% had XDR uropathogens. In comparison to fluoroquinolones and trimethoprim/sulfamethoxazole, fosfomycin and nitrofurantoin demonstrated a significantly higher sensitivity rate against uropathogens, including MDR and XDR uropathogens, in both gender groups with community-acquired and nosocomial UTIs (P<0.001). Fosfomycin revealed the highest sensitivity rate, about 94.8%. Klebsiella pneumonia and E. coli showed the highest resistance rate against fosfomycin in 3.7% and 3.4% of the cases. Nitrofurantoin showed a similar sensitivity rate both in community and hospitalized patients in 86.1%. Fluoroquinolones (61%) and trimethoprim/sulfamethoxazole (86.6%) revealed the highest resistance rate against uropathogens. The prevalence of extended-spectrum beta-lactamases producing pathogens was 10.2%. Fosfomycin and nitrofurantoin revealed a higher sensitivity rate against gram-negative MDR uropathogens in community and nosocomial UTIs compared to fluoroquinolones and trimethoprim/sulfamethoxazole.
One‐Interlayer‐Twisted Multilayer MoS2 Moiré Superlattices
Authors: Zhang Weifeng , Hao He , Lee Yangjin , Zhao Yan , Tong Lianming , Kim Kwanpyo , Liu Nan 
Published: February 2022

AbstractTwist angle provides a new degree of freedom for 2D material modifications. In principle, the intrinsic properties of twisted multilayers can be regulated by twist angle between each adjacent layer and thus have greater tunability than widely studied bilayer structures. Considering its complexity, it is important to first investigate the simplest twisted multilayers with only one interface twisted. In this work, multilayer Moiré superlattices with only one twisted interface via paraffin‐assisted folding of non‐twisted stacked (highly symmetrically stacked) multilayer MoS2 are successfully fabricated, and their twist‐angle dependent optical properties are systematically studied. Compared to non‐twisted stacked multilayer MoS2, the one‐interface‐twisted multilayers show a 2–3.5 times higher PL intensity, and their interlayer coupling, indirect bandgap, and degree of circular polarization (DOCP) are tunable by twist angle. Notably, the DOCP for the one‐interface‐twisted four‐layer (folded bilayer) can reach 86%, which is the highest value ever reported for transition metal dichalcogenide homostructures above liquid nitrogen temperature. This work provides a solid base for understanding twist‐angle dependent properties of twisted multilayer 2D‐materials.
A Library of ROS‐Catalytic Metalloenzyme Mimics with Atomic Metal Centers
Authors: Cao Sujiao , Zhao Zhenyang , Zheng Yijuan , Wu Zihe , Ma Tian , Zhu Bihui , Yang Chengdong , Xiang Xi , Ma Lang , Han Xianglong , Wang Yi , Guo Quanyi , Qiu Li , Cheng Chong 
Published: February 2022

AbstractMetalN‐coordinated centers supported by carbonaceous substrates have emerged as promising artificial metalloenzymes (AMEs) to mimic the biocatalytic effects of their natural counterparts. However, the synthesis of well‐defined AMEs that contain different atomic metalN centers but present similar physicochemical and coordination structures remains a substantial challenge. Here, 20 different types of AMEs with similar geometries and well‐defined atomic metalN‐coordinated centers are synthesized to compare and disclose the catalytic activities, substrate selectivities, kinetics, and reactive oxygen species (ROS) products. Their oxidase (OXD)‐, peroxidase (POD)‐, and halogen peroxidase (HPO)‐mimetic catalytic behaviors are systematically explored. The Fe‐AME shows the highest OXD‐ and HPO‐mimetic activities compared to the other AMEs due to its high vmax (0.927 × 10−6 m s−1) and low Km (1.070 × 10−3 m), while the Cu‐AME displays the best POD‐like performance. Furthermore, theoretical calculation reveals that the ROS‐catalytic paths and activities are highly related to the electronic structures of the metal centers. Benefiting from its facile adsorption of H2O2 molecule and lower energy barrier to generating •O2−, the Fe‐AME displays higher ROS‐catalytic performances than the Mn‐AME. The engineered AMEs show not only remarkably high ROS‐catalytic performances but also provide new guidance toward developing metalN‐coordinated biocatalysts for broad application fields.
Stretchable Photonic Semicrystal Interface by Pressure‐Assistant Self‐Assembly
Authors: Wang Zhaosong , Zhang Jiayi , Lan Zhuyue , Meng Qingyu , Tang Ruixin , Shen Xiaoping , Sun Qingfeng 
Published: February 2022

AbstractStretchable structural colors that can dynamically respond to mechanical stimuli are garnering interest as energy‐free mechanical‐optical sensors. Typical technologies for embedding photonic crystals (PCs) in elastic hydrogels generally involve etching processes, which have raked controversy for straying from green manufacturing practices. Here, a facile pressure‐assisted self‐assembly strategy to fabricate an interfacial photonic structure, i.e., semicrystalline photonic structure (SPS), consisting of two diffraction nanopatterns, including randomly oriented, medium‐scale ordered PCs and arbitrarily distributed amorphous photonic glass using hydrophilically modified colloidal polystyrene (PS) nanospheres configured at the hydrogel interface is introduced. The structural colors of the SPS hydrogel interfaces undergo immediate and repeatable mechanochromic redshift or blueshift in real time when the sample is longitudinally compressed or tensed, respectively, at both the micro zone and macroscopic color block levels. The SPS hydrogel interfaces display long‐term colorfast, angle‐independent, or non‐iridescent coloration and bright structural colors in a high reflective‐intensity range of 62%–96% at a normal viewing angle. With these features, this study demonstrates the feasibility of fabricating SPS hydrogel interfaces with mechanical and optical properties that are compatible with state‐of‐the‐art stretchable optical sensors.
Engineering Reductive Iron on a Layered Double Hydroxide Electrocatalyst for Facilitating Nitrogen Reduction Reaction
Authors: Kong Yi , Kong Huabin , Lv Chade , Chen Gang 
Published: February 2022

AbstractAmmonia is an indispensable chemical, of which the industrial production is still dominated by Haber‐Bosch process operated at harsh conditions. The ecofriendly electrocatalytic N2 reduction reaction (NRR) emerges as an alternative, however, such technique currently suffers from tough dynamics on account of difficulties in the adsorption or protonation of N2 on catalysts. To eliminate the obstacle, a simple and valid strategy of ferrous iron replacing copper is proposed to regulate the electronic structure of layered double hydroxide (LDH) for boosting the NRR activity. Thanks to the ferrous iron, the Fe(II)Cu(II)Fe(III)‐LDH catalyst attains a NH3 yield rate of 33.1 ± 2.5 µg h−1 mgcat.−1 and a desirable Faradaic efficiency (FE) of 21.7 ± 1.8% in a neutral electrolyte of 0.1 m Na2SO4, outclassing the Cu(II)Fe(III)‐LDH catalyst without Fe(II). The introduction of ferrous iron can adjust the d‐band center position to improve the N2 adsorption and can reduce the energy barrier of the potential determining step (PDS) to facilitate the NRR process. This work provides a new insight on engineering efficient electrocatalysts for nitrogen fixation under ambient conditions.
Enhanced Photoresponse Performance of Self‐Powered PTAA/GaN Microwire Heterojunction Ultraviolet Photodetector Based on Piezo‐Phototronic Effect
Authors: Chen Fei , Deng Congcong , Wang Xingfu , Liu Chao , Liu Qing , Zou Can , Wu Guohui , Zhao Zixuan , Chen Kai , Gao Fangliang , Zhan Shaobin , Li Shuti 
Published: February 2022

AbstractThe development of self‐powered high‐performance UV photodetectors is essential for energy efficient futuristic wearable and portable applications. Herein, a self‐powered organic/inorganic (PTAA/GaN microwire) hybrid heterojunction ultraviolet (UV) photodetector (PD) has been prepared by a low‐cost and simple spin‐coating method. Furthermore, the piezo‐phototronic effect as an effective interfacial regulating strategy is utilized to modulate the photo‐response performances of the PD by engineering the energy‐band structure at the local junction/interface. Under 325 nm laser irradiation, the obtained device demonstrates excellent photo‐response properties at 0 V bias, showing a high responsivity (268 mA W−1) and detectivity (2.49 × 1012 Jones) under weak light intensity as low as 0.2 mW cm−2, as well as fast response speeds (rise time of 14 ms and decay time of 23 ms). The PD exhibits better performance than most reported organic/inorganic heterojunction self‐powered PDs. By applying a −0.52% compressive strain, the responsivity and detectivity of the device are greatly enhanced by 32% without external bias, and by 1256% at 2 V bias under 1.4 mW cm−2 light intensity. On the contrary, by applying a 0.41% tensile strain, the responsivity and detectivity are decreased by 18% without external bias. It indicates that the strain has a significant modulating effect on the photo‐response performance of the PD. The positive piezo‐potential modulated energy‐band structure at the PTAA/GaN interface may account for the enhanced performance. This study demonstrates a promising approach to optimize the performance of a self‐powered heterostructure optoelectronic devices through strain modulated.
Metal‐Free Photoinduced Deformylative Minisci‐Type Reaction
Authors: Wang Xinxin , Shao Xin , Cao Zhu , Wu Xinxin , Zhu Chen 
Published: February 2022

AbstractA metal‐free deformylative Minisci‐type reaction is disclosed by using aliphatic aldehydes as alkyl radical precursors. The reaction proceeds via a sequence of hydrogen atom abstraction (HAA) from aldehyde and decarbonylation under mild photochemical conditions. The transformation offers many advantages including good regioselectivity, broad substrate scope, and easy operation. The reaction is also amenable to late‐stage functionalization of complex heteroarenes, and can be readily performed on gram scale.magnified image
Persistence of Ad26.COV2.S‐associated vaccine‐induced immune thrombotic thrombocytopenia (VITT) and specific detection of VITT antibodies
Authors: Kanack Adam J. , Singh Bandana , George Gemlyn , Gundabolu Krishna , Koepsell Scott A. , Abou‐Ismail Mouhamed Yazan , Moser Karen A. , Smock Kristi J. , Green David , Major Ajay , Chan Clarence W. , Wool Geoffrey D. , Reding Mark , Ashrani Aneel A. , Bayas Antonios , Grill Diane E. , Padmanabhan Anand 
Published: February 2022

AbstractRare cases of COVID‐19 vaccinated individuals develop anti‐platelet factor 4 (PF4) antibodies that cause thrombocytopenia and thrombotic complications, a syndrome referred to as vaccine‐induced immune thrombotic thrombocytopenia (VITT). Currently, information on the characteristics and persistence of anti‐PF4 antibodies that cause VITT after Ad26.COV2.S vaccination is limited, and available diagnostic assays fail to differentiate Ad26.COV2.S and ChAdOx1 nCoV‐19‐associated VITT from similar clinical disorders, namely heparin‐induced thrombocytopenia (HIT) and spontaneous HIT. Here we demonstrate that while Ad26.COV2.S‐associated VITT patients are uniformly strongly positive in PF4‐polyanion enzyme‐linked immunosorbent assays (ELISAs); they are frequently negative in the serotonin release assay (SRA). The PF4‐dependent p‐selectin expression assay (PEA) that uses platelets treated with PF4 rather than heparin consistently diagnosed Ad26.COV2.S‐associated VITT. Most Ad26.COV2.S‐associated VITT antibodies persisted for >5 months in PF4‐polyanion ELISAs, while the PEA became negative earlier. Two patients had otherwise unexplained mild persistent thrombocytopenia (140‐150 x 103/µL) 6 months after acute presentation. From an epidemiological perspective, differentiating VITT from spontaneous HIT, another entity that develops in the absence of proximate heparin exposure, and HIT is important, but currently available PF4‐polyanion ELISAs and functional assay are non‐specific and detect all three conditions. Here, we report that a novel un‐complexed PF4 ELISA specifically differentiates VITT, secondary to both Ad26.COV2.S and ChAdOx1 nCoV‐19, from both spontaneous HIT, HIT and commonly‐encountered HIT‐suspected patients who are PF4/polyanion ELISA‐positive but negative in functional assays. In summary, Ad26.COV2.S‐associated VITT antibodies are persistent, and the un‐complexed PF4 ELISA appears to be both sensitive and specific for VITT diagnosis.
A critical biocultural approach to early growth in the United States
Authors: Miller Elizabeth M. 
Published: February 2022

AbstractObjectivesA critical biocultural anthropology seeks to link perspectives from social theory and ethnography to human biology. In the United States (U.S.), multiple forms of structural inequalities affect early growth, including racism and poverty. The goal of this paper is to test the effects of social inequalities on birth weight and later height in the U.S. National Health and Nutrition Survey (NHANES), and to contextualize potential pathways of embodiment that link social structure and biology.MethodsThis study used data from 8392 children ages 0–5 years from the 2005 to 2016 NHANES. Reported birth weight and measured length/height (converted to height‐for‐age z‐scores) were used as outcome variables, while various measures of socioeconomic status and the NHANES‐defined race and ethnicity categories were operationalized as social variables. Structural equation modeling (SEM) was chosen to represent the data.ResultsThe final model represented an excellent fit to the data. Higher birth weights were associated with higher height‐for‐age z‐scores. The Black racial category was associated with lower birth weight and higher height‐for‐age z‐score, while the “Other” racial category was also associated with lower birth weight. The socioeconomic status factor variable was significantly associated with birth weight and height‐for‐age z‐scores. There were also multiple indirect effects of social variables on height‐for‐age z‐scores mediated via their effects on birth weight.ConclusionsInequalities in race and socioeconomic status persist in birth weight and early childhood stature in the U.S. These findings can be contextualized by a critical biocultural anthropology that integrates lived experiences and pathways of embodiment.
Further delineation of SET‐related intellectual disability syndrome
Authors: Shono Kenta , Enomoto Yumi , Tsurusaki Yoshinori , Kumaki Tatsuro , Masuno Mitsuo , Kurosawa Kenji 
Published: February 2022

AbstractA loss‐of‐function mutation of SET causes nonsyndromic intellectual disability, often associated with mild facial dysmorphic features, including plagiocephaly, facial asymmetry, broad and high forehead, a wide mouth, and a prominent mandible. We report a male individual with a 2.0 Mb deletion within 9q34.11, involving SET and SPTAN1, but not STXBP1. Among the genes with a high probability of being loss‐of‐function intolerant in the deletion interval, only SPTAN1 and SET had haploinsufficiency score (%HI) <10, indicating a high likelihood of haploinsufficiency. Pathogenic variants in SPTAN1 are responsible for early‐onset epileptic encephalopathy by exerting a dominant‐negative effect. However, whether haploinsufficiency of SPTAN1 alone also causes the severe phenotype remained unknown. SET is a regulator of cell differentiation in early human development and a component of the inhibitor of histone acetyltransferases complex. Therefore, combining the previously reported patients, our patient delineated the phenotypic spectrum of SET‐related nonsyndromic intellectual disability with mild facial dysmorphism.
Iterative Synthesis of 2‐Deoxyoligosaccharides Enabled by Stereoselective Visible‐Light‐Promoted Glycosylation
Authors: Liu Kai‐Meng , Wang Peng‐Yu , Guo Zhen‐Yan , Xiong De‐Cai , Qin Xian‐Jin , Liu Miao , Liu Meng , Xue Wan‐Ying , Ye Xin‐Shan 
Published: February 2022

AbstractThe photoinitiated intramolecular hydroetherification of alkenols has been used to form C−O bonds, but the intermolecular hydroetherification of alkenes with alcohols remains an unsolved challenge. We herein report the visible‐light‐promoted 2‐deoxyglycosylation of alcohols with glycals. The glycosylation reaction was completed within 2 min in a high quantum yield (ϕ=28.6). This method was suitable for a wide array of substrates and displayed good reaction yields and excellent stereoselectivity. The value of this protocol was further demonstrated by the iterative synthesis of 2‐deoxyglycans with α‐2‐deoxyglycosidic linkages up to a 20‐mer in length and digoxin with β‐2‐deoxyglycosidic linkages. Mechanistic studies indicated that this reaction involved a glycosyl radical cation intermediate and a photoinitiated chain process.
Crystalline Neutral Diboron Analogues of Cyclopropanes
Authors: Wang Yu , Zhang Xin , Han Jixing , Li Qianli , Wei Rui , Ruiz David A. , Liu Liu Leo , Tung Chen‐Ho , Kong Lingbing 
Published: February 2022

AbstractAlthough Schleyer's computations in 1979 predicted that the ground state of the parent diborirane features a planar‐tetracoordinate carbon atom (anti van't Hoff–Le Bel geometry), this work demonstrates that substitution of C coupled with N‐heterocyclic carbene (NHC) coordination provides access to isolable diborirane derivatives 3 and 4 with van't Hoff–Le Bel geometry. Species 3 and 4 are isoelectronic with cyclopropane and the highly strained B2C rings feature 2c–2e bent σ bonds. Consequently, the B−B and B−C bonds in 3 are cleaved in the presence of hydride, proton, and chalcogens. The former two reactions gave NHC‐coordinated fluorenyldihydridoborane 5 and dichlorofluorenylborane 6, respectively, whereas the latter transformations afforded novel thiaborirane 8 and selenaborirane 9. In addition, transfer hydrogenation of 3 with ammonia borane (H3N⋅BH3) led to the formation of (μ‐hydrido)diborane 7 via selective cleavage of the B−B bond. These reactivities show potential for their future application in organic synthesis.
Chemoselective Transamidation of Thioamides by Transition‐Metal‐Free N−C(S) Transacylation
Authors: Li Guangchen , Xing Yangyang , Zhao Hui , Zhang Jin , Hong Xin , Szostak Michal 
Published: February 2022

AbstractThioamides represent highly valuable isosteric in the strictest sense “single‐atom substitution” analogues of amides that have found broad applications in chemistry and biology. A long‐standing challenge is the direct transamidation of thioamides, a process which would convert one thioamide bond (R−C(S)−NR1R2) into another (R−C(S)−NR3N4). Herein, we report the first general method for the direct transamidation of thioamides by highly chemoselective N−C(S) transacylation. The method relies on site‐selective N‐tert‐butoxycarbonyl activation of 2° and 1° thioamides, resulting in ground‐state‐destabilization of thioamides, thus enabling to rationally manipulate nucleophilic addition to the thioamide bond. This method showcases a remarkably broad scope including late‐stage functionalization (>100 examples). We further present extensive DFT studies that provide insight into the chemoselectivity and provide guidelines for the development of transamidation methods of the thioamide bond.
Novel Nano Copper Complexes of a New Schiff Base: Green Synthesis, a New Series of Solid Cr(II), Co(II), Cu(II), Pd(II) and Cd(II) Chelates, Characterization, DFT, DNA, Antitumor and Molecular Docking Studies
Authors: Hosny Shimaa , Gouda Gamal A. , Abu‐El‐Wafa Samy M. 
Published: February 2022

AbstractA new series of solid Cr(II), Co(II), Cu(II), Pd(II), and Cd(II) chelates of the 1‐((E)‐(2‐mercaptophenylimino)methyl)naphthalen‐2‐ol (H2L) Schiff base ligand were synthеsized and chаracterized by diffеrent аnalytical and spectroscopic tеchniques. The results revealed the geometry around central metal ion to be tetrahedral for Cr2L2, Co2L2, Cu2L2, and Cd2L2 complexes and square planar geometry around Pd2L2 complex. 3D modeling of the ligand and its metal complexes was obtained using DFT/B3LYP method with LANL2DZ basis set. Also quantum‐mechanical properties like molecular orbitals and molecular energies were calculated. The Cu nano complexes were prepared in different media Spinacia oleracea (SO), Corchorus olitorius (CO), Coriandrum sativum (CS), Eruca sativa (ES), and Anethum graveolens (AG) extract in EtOH. The particle size of the nano coordination Cu complexes depends on the high concentration of reducing agent present in the green leaf extract. The nature of the newly nano sizеd Cu complexes prepared in different media as crystalline or amorphous and particles size was determined by X‐ray diffraction (XRD); scanning electron microscope (SEM). The Cu nano complexes are characterized by spectroscopic and thermal analysis techniques before heating and after heating upon 200°C. The Cu nano complexes were showed an antitumor activity towards hepatocellular carcinoma cell line (HepG‐2). The antitumor data revealed that the Cu nano complex prepared in CS/EtOH (IC50 ~ 4.9 μg ml−1) has antitumor activity nearly to the activity of cis‐platin (IC50 ~ 1.143 μg ml−1). The DNA cleavage study showed that the ability for the screened Cu nano complex prepared in CS/EtOH to cleavage DNA. Therefore, it may be used as antitumor drugs in vivo to prevent the DNA replication in the tumor cells and to suppress the cancer for further increasing. Docking studies of the ligand and its Cu(II) complex showed good binding energy score ranging from (−4.73 to −5.98 kcal mol−1).
Synthesis, characterization, and reactivity of a novel magnetically recyclable triazine‐based Cu–NNN–pincer complex
Authors: Ahmed Karzan Mahmood , Amani Kamal 
Published: February 2022

AbstractA new heterogeneous catalytic system containing triazine‐based copper(II) tridentate–NNN–pincer complex, covalently anchored to the amine‐functionalized silica‐coated Fe3O4 magnetic nanoparticles, Fe3O4@SiO2–NH–CCl–AT–Cu(II), was synthesized. Its structure was studied through the standard methods of FT‐IR, NMR, EDX, TGA, FE‐SEM, MAP images, XRD, ICP, and N2 adsorption–desorption isotherm analysis and utilized for the production of propargylamines by one‐pot A3 coupling of phenylacetylene, aldehydes, and secondary amines, attaining TOF values of up to 40,000 h−1. The impact of various solvents, reaction time, temperature, catalyst amount, and recyclability of the catalyst were studied to optimize reaction conditions. The catalyst was re‐examined five times, and no noteworthy reduction in activity was observed.