bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diffracted Beams from Metasurfaces: High Chiral Detectivity by Photothermal Deflection Technique
Authors: Leahu Grigore , Petronijevic Emilija , Li Voti Roberto , Belardini Alessandro , Cesca Tiziana , Mattei Giovanni , Sibilia Concita 
Published: August 2021

AbstractMeasurements of difference in optical interactions between circularly polarized excitations of opposite handedness (circular dichroism) are highly important for both natural and artificial chiral structures. Here the photothermal deflection technique is proposed as a method to detect the optical chirality of a metasurface, analyzing the diffracted beams by the metasurface itself. Two metasurfaces are investigated, based on Au and Ag. The samples are fabricated by nanosphere lithography, with a tilted deposition of thin metal layer, which produces symmetry‐breaking. The unit cell periodicity of these metasurfaces allows for multiple order diffraction in the 450–520 nm range, which encompasses the emission lines of an Ar laser. The metasurfaces are placed on a mirror and excited by an Ar pump beam at different orientations, laser wavelengths, and circular polarization degree; the probe beam scans the absorption of the diffraction orders back‐reflected from the underlying mirror. In this way, the chiral investigation is simplified by placing the scanning of absorption‐induced thermal effect into the metasurface plane, thus avoiding the transmission/reflection measurements of a specific order, which are done by angular placement of detector. Theoretical and numerical approaches are further developed to reconstruct both thermal and optical behavior of the chirality at the nanoscale.
Copolymer‐Based Flexible Resistive Random Access Memory Prepared by Initiated Chemical Vapor Deposition Process
Authors: Jeong Jaejoong , Kim Min Ju , Hwang Wan Sik , Cho Byung Jin 
Published: August 2021

AbstractOne of the essential components in this era of the Internet of Things (IoT) and wearable technologies, is a flexible and high performance resistive random access memory (ReRAM) device. In this paper, the authors propose a new copolymer‐based ReRAM device that is realized using an initiated chemical vapor deposition (iCVD) process. The 7‐nm‐thick copolymer ReRAM device exhibits endurance properties as high as 105 and switching power as low as 438 µW. The strong endurance of the copolymer‐based ReRAM device originates from the properties of the robust poly‐1,3,5‐trivinyl‐trimethyl‐cyclotrisiloxane dielectric film, while its low on‐current at the operating voltage is attributed to the properties of the poly‐2‐hydroxyethyl methacrylate dielectric with the Al electrode. The proposed ReRAM also has the additional advantage of forming‐free switching characteristics.
Customization of MoS2 Phototransistors via Thiol‐Based Functionalization
Authors: Im Healin , Bala Arindam , So Byungjun , Kim Young Jun , Kim Sunkook 
Published: August 2021

AbstractThe thiol‐based functionalization of multilayer MoS2 is performed to customize its electrical and optical performance. Two types of thiol‐terminated organic molecules are utilized: 4‐amino thiophenol (4ATP) for electron‐donating and 4‐nitro thiophenol (4NTP) for electron‐withdrawing. The thiol groups in these molecules chemically bond with MoS2 at the sulfur vacancies through the simple solution process. 4ATP‐functionalized MoS2 (4ATP–MoS2) transistors exhibit a huge enhancement in the current and the carrier concentration, whereas 4NTP‐functionalized MoS2 (4NTP–MoS2) transistors show the reduction in the film conductance. Moreover, functionalization with 4ATP and 4NTP complementarily modulate the photoresponsive characteristics of MoS2 transistors. Under 405 nm laser illumination, 4ATP–MoS2 phototransistors exhibit the enhanced photoresponsivity of 669.10 A W−1 attributed to the large dark currents. In contrast, 4NTP–MoS2 phototransistors can achieve faster photoswitching performances than 4ATP–MoS2. Therefore, the thiol‐based functionalization can effectively customize the electrical and optical characteristics of multilayer MoS2.
The experiences and support needs of siblings of people with mucopolysaccharidosis
Authors: Grant Nathan , Von Handorf Rebecca , Karaa Amel , Skotko Brian G. 
Published: August 2021

AbstractThe mucopolysaccharidoses (MPS) are a group of rare genetic disorders characterized by progressive multisystem disease. We sought to identify the perceptions and support needs of siblings, who often have lifelong relationships and assume important roles for their brothers and sisters with MPS. We designed an online survey to ask siblings about their experiences through a series of Likert statements and open‐ended questions. A mixed methods approach was used to analyze the results. We analyzed eligible responses from 97 participants, ages 18.1–61.2 years, who have brothers and sisters with MPS I, II, III, IV, and VI. Participants reported serving as caregivers for their siblings with MPS, at all ages. While over 62% of siblings often felt sad because they have a brother or sister with MPS, over 90% of siblings reported that they like their brothers and sisters and expressed feelings of pride. Siblings wanted information about MPS, guidance for caregiving activities, genetic counseling, and opportunities to connect with other siblings. Families and professionals should acknowledge the unique experiences and needs of siblings, include siblings in medical conversations and care plans when appropriate, and connect siblings to resources for informational and emotional support.
Anodic Dehydrogenative Cyanamidation of Thioethers: Simple and Sustainable Synthesis of N‐Cyanosulfilimines
Authors: Klein Martin , Waldvogel Siegfried R. 
Published: August 2021

AbstractA novel and very simple to perform electrochemical approach for the synthesis of several N‐cyanosulfilimines in good to excellent yields was established. This method provides access to biologically relevant sulfoximines by consecutive oxidation using electro‐generated periodate. This route can be easily scaled‐up to gram quantities. The S,N coupling is carried out at an inexpensive carbon anode by direct oxidation of sulfide. Therefore, the designed process is atom economic and represents a new “green route” for the synthesis of sulfilimines and sulfoximines.
Phytic Acid‐Based FeCo Bimetallic Metal‐Organic Gels for Electrocatalytic Oxygen Evolution Reaction
Authors: Feng Xiying , Xiao Yali , Huang Hai‐Hua , Wang Qiushi , Wu Jinyi , Ke Zhuofeng , Tong Yexiang , Zhang Jianyong 
Published: August 2021

AbstractElectrocatalysts have been developed to improve the efficiency of gas release for oxygen evolution reaction (OER), and finding a simple and efficient method for efficient electrocatalysts has inspired research enthusiasm. Herein, we report bimetallic metal‐organic gels derived from phytic acid (PA) and mixed transition metal ions to explore their performance in electrocatalytic oxygen evolution reaction. PA is a natural phosphorus‐rich organic compound, which can be obtained from plant seeds and grains. PA reacts with bimetallic ions (Fe3+ and Co2+) in a facile one‐pot synthesis under mild conditions to form PA‐FeCo bimetallic gels, and the corresponding aerogels are further partially reduced with NaBH4 to improve the electrocatalytic activity. Mixed valence states of Fe(II)/Fe(III) and Co(III)/Co(II) are present in the materials. Excellent OER performance in terms of overpotential (257 mV at 20 mA cm−2) and Tafel slope (36 mV dec−1) is achieved in an alkaline electrolyte. This reduction method is superior to the pyrolysis method by well maintaining the gel morphology structure. This strategy is conducive to the further improvement of the performance of metal‐organic electrocatalysts, and provides guidance for the subsequent application of metal‐organic gel electrocatalysts.
Tunable Electric and Magnetic Properties of Transition Metal@NxCy‐Graphene Materials by Different Metal and Defect Types
Authors: Zhang Fengxiang , Liu Haixia , Tao Furong , Wang Xijun , Cao Xinrui , Hu Wei 
Published: August 2021

AbstractTransition metal@NxCy‐graphene (TM@NxCy‐GR) materials have been widely used as redox reaction catalysts in the field of fuel cells due to their low cost and high performance. In the present work, we systematically investigate the effect of different metal and defect types on the electro‐magnetic properties of TM@NxCy‐GR materials using first principles calculations. Our simulations show that TM@N3‐GR (the minimum defect size) and TM@N7‐GR (the maximum defect size) materials always possess metallic property regardless the metal type. However, doping different TM can regulate the medium defects (TM@N2C2‐GR‐I and TM@N2C2‐GR‐II) among metallicity, half‐metallicity and semi‐conductivity. In addition, we found that different TM and defect type largely affects the magnetic moment. The spin density and projected density of state calculations show that the net charges of the defect structure are mainly located near the hole, and the magnetic regulation comes from the coupling of TM‐d orbital with carbon (nitrogen)‐s(p) orbitals. The present study provides abundant valuable information for the TM@NxCy‐GR materials designs and applicants in the future.
Sarcopenia on preoperative chest computed tomography predicts cancer‐specific and all‐cause mortality following pneumonectomy for lung cancer: A multicenter analysis
Authors: Troschel Fabian M. , Jin Qianna , Eichhorn Florian , Muley Thomas , Best Till D. , Leppelmann Konstantin S. , Yang Chi‐Fu Jeffrey , Troschel Amelie S. , Winter Hauke , Heußel Claus P. , Gaissert Henning A. , Fintelmann Florian J. 
Published: August 2021

AbstractBackgroundMortality risk prediction in patients undergoing pneumonectomy for non‐small cell lung cancer (NSCLC) remains imperfect. Here, we aimed to assess whether sarcopenia on routine chest computed tomography (CT) independently predicts worse cancer‐specific (CSS) and overall survival (OS) following pneumonectomy for NSCLC.MethodsWe included consecutive adults undergoing standard or carinal pneumonectomy for NSCLC at Massachusetts General Hospital and Heidelberg University from 2010 to 2018. We measured muscle cross‐sectional area (CSA) on CT at thoracic vertebral levels T8, T10, and T12 within 90 days prior to surgery. Sarcopenia was defined as T10 muscle CSA less than two standard deviations below the mean in healthy controls. We adjusted time‐to‐event analyses for age, body mass index, Charlson Comorbidity Index, forced expiratory volume in 1 second in % predicted, induction therapy, sex, smoking status, tumor stage, side of pneumonectomy, and institution.ResultsThree hundred and sixty‐seven patients (67.4% male, median age 62 years, 16.9% early‐stage) underwent predominantly standard pneumonectomy (89.6%) for stage IIIA NSCLC (45.5%) and squamous cell histology (58%). Sarcopenia was present in 104 of 367 patients (28.3%). Ninety‐day all‐cause mortality was 7.1% (26/367). After a median follow‐up of 20.5 months (IQR, 9.2–46.9), 183 of 367 patients (49.9%) had died. One hundred and thirty‐three (72.7%) of these deaths were due to lung cancer. Sarcopenia was associated with shorter CSS (HR 1.7, p = 0.008) and OS (HR 1.7, p = 0.003).ConclusionsThis transatlantic multicenter study confirms that sarcopenia on preoperative chest CT is an independent risk factor for CSS and OS following pneumonectomy for NSCLC.
Synthesis, Characterization, and Biological Study of 3‐Trifluoromethylpyrazole Tethered Chalcone‐Pyrrole and Pyrazoline‐Pyrrole Derivatives
Authors: Kisan Rasal Nishant , Bhaskar Sonawane Rahul , Vijay Jagtap Sangeeta 
Published: August 2021

AbstractThe present study illustrates the design and synthesis of new series of 3‐trifluoromethylpyrazole tethered chalcone‐pyrrole and pyrazoline‐pyrrole derivatives. All compounds were further screened for in vitro cytostatic activities on full NCI 60 cancer cell lines at National Cancer Institute, USA. Compounds (2E)‐3‐(1H‐pyrrol‐2‐yl)‐1‐{4‐[3‐(trifluoromethyl)‐1H‐pyrazol‐1‐yl]phenyl}prop‐2‐en‐1‐one (5a) and (2E)‐1‐{3‐methyl‐4‐[3‐(trifluoromethyl)‐1H‐pyrazol‐1‐yl]phenyl}‐3‐(1H‐pyrrol‐2‐yl)prop‐2‐en‐1‐one (5c) displayed significant antiproliferative activity (Growth Percentage: −77.10 and −92.13, respectively at 10 μM concentration) against the UO‐31 cell lines from renal cancer and were further selected for assay at 10‐fold dilutions of five different concentrations (10−4 to 10−8 M). Both compounds 5a and 5c exhibited promising antiproliferative activity (GI50: 1.36 to 0.27 μM) against leukemia cancer cell lines HL‐60 and RPMI‐8226, colon cancer cell lines KM‐12; breast cancer cell lines BT‐549. Moreover, both compounds 5a and 5c were found to be non‐cytotoxic (LC50>100) against HL‐60, RPMI‐8226, and KM‐12 cell lines. Remarkably, GI50 values of compounds 5a and 5c were identified as more promising than sunitinib against most cancer cell lines. In silico study of compounds 5a and 5c exemplified the desired ADME properties for drug‐likeness as well as tighter interactions with VEGFR‐2. Hence, compounds 5a and 5c would be good cytotoxic agents after further clinical study.
Design, Synthesis and Biological Evaluation of New N‐Acyl Hydrazones with a Methyl Sulfonyl Moiety as Selective COX‐2 Inhibitors
Authors: Osmaniye Derya , Sağlık Begüm Nurpelin , Levent Serkan , Özkay Yusuf , Kaplancıklı Zafer Asım 
Published: August 2021

AbstractThe mechanism of action of nonsteroidal anti‐inflammatory drugs (NSAIDs) is inhibition of specific prostaglandin (PG) synthesis by inhibition of cyclooxygenase (COX) enzymes. The two COX isoenzymes show 60 % similarity. It is known that the nonspecific side effects of conventional NSAIDs are physiologically caused by inhibition of the COX‐1 enzyme. Therefore, the use of COX‐2 selective inhibitors is seen to be a more beneficial approach in reducing these negative effects. However, some of the existing COX‐2 selective inhibitors show cardiovascular side effects. Therefore, studies on the development of new selective COX‐2 inhibitors remain necessary. It is important to develop new COX‐2 inhibitors in the field of medicinal chemistry. Accordingly, novel N‐acyl hydrazone derivatives were synthesized as new COX‐2 inhibitors in this study. The hydrazone structure, also known for its COX activity, is important in terms of many biological activities and was preferred as the main structure in the design of these compounds. A methyl sulfonyl pharmacophore was added to the structure in order to increase the affinity for the polar side pocket present in the COX‐2 enzyme. It is known that methyl sulfonyl groups are suitable for polar side pockets. The synthesis of the compounds (3a–3j) was characterized by spectroscopic methods. Evaluation of in vitro COX‐1/COX‐2 enzyme inhibition was performed by fluorometric method. According to the enzyme inhibition results, the obtained compounds displayed the predicted selectivity for COX‐2 enzyme inhibition. Compound 3j showed important COX‐2 inhibition with a value of IC50=0.143 uM. Interaction modes between the COX‐2 enzyme and compound 3j were investigated by docking studies.
Revascularization by percutaneous coronary intervention in a case of left main coronary artery atresia
Authors: Yin Tao , Zhong Xin , Tao Ling , Hu Tao 
Published: August 2021

AbstractLeft main coronary artery atresia (LMCAA) is a rare congenital anomaly of the coronary artery that may have an unfavorable prognosis if left untreated. Surgical revascularization by either coronary artery bypass grafting or coronary reconstruction osteoplasty is unanimously recognized as the treatment of choice for this condition. Here, we first report a case of LMCAA treated with revascularization by percutaneous coronary intervention (PCI) through a retrograde approach. Intravascular ultrasound revealed an unusual coronary structure for the left main artery. PCI appears to be a feasible and effective alternative to surgery for the treatment of LMCAA, particularly if a minimally invasive method is desired.
Efficient and Reversible Catalysis of Formic Acid‐Carbon Dioxide Cycle Using Carbamate‐Substituted Ruthenium‐Dithiolate Complexes
Authors: Tsai Hui‐Min , Lien Wan‐Hsiang , Liao Chi‐Hsuan , Chen Yi‐Ting , Huang Sheng‐Cih , Chou Feng‐Pai , Chang Chin‐Yuan , Yu Jen‐Shiang K. , Kao Ya‐Ting , Wu Tung‐Kung 
Published: August 2021

AbstractIt is important to develop viable technologies for efficient hydrogen (H2) production and carbon dioxide (CO2) conversion to realize the future supply of clean energy and reduction of global CO2 concentration. Herein, we report a series of carbamate‐substituted ruthenium‐dithiolate complexes 1–3, [Rux(CO)y(μ‐SCH(NCO2(C(CH3)3))CH2CH2S)] (x=2, 3, 6 and y=6, 9, 20), which can effectively catalyze the reversible formic acid‐carbon dioxide (FA‐CO2/H2) cycle that can be used to convert CO2 and produce H2. Complex 2 effectively dehydrogenates FA to produce H2 with an unprecedented turnover frequency (TOF) of 1.15×106 h−1 under conditions of sunlight irradiation. Under conditions of high temperature and pressure, complex 3 hydrogenates CO2 to FA with a high initial TOF of 1.02×106 h−1, resulting in an efficient FA‐CO2/H2 cycle. These results can potentially help provide the platform for the development of technologies that can be used in future to produce clean energy and control environmental threats.
Cyclic Voltammetry is Invasive on Microbial Electrosynthesis
Authors: de Smit Sanne M. , Buisman Cees J. N. , Bitter Johannes H. , Strik David P. B. T. B. 
Published: August 2021

AbstractCyclic voltammetry (CV) is expected to cause changes in the biocathode composition, especially when using low scan rates. A recent finding stated that CV triggered further biocatalytic activity in microbial electrosynthesis systems (MES), leading to the aim of our study: to investigate the invasiveness of CV on MES. The present study confirms that a CO2 elongation MES biocathode composition changes during and right after the CV. Oxidation peaks differ over repeated CV‐cycles while metal compounds and biomass were released in the biocatholyte. After CV, the current increased temporarily for up to 20 days and the metal compounds decreased from the biocatholyte solution. Further, the sole short application of open cell voltage was shown to shortly increase the current. Evidently CV affects the studied biocathode, which complicates the use of CV as an analysis technique in MESs. However, the positive effect CV has on biocathode current density may provide methods to boost reactor performance and maintain productivity.
Hybrid EuIII Coordination Luminophore Standing on Two Legs on Silica Nanoparticles for Enhanced Luminescence
Authors: Zhang Teng , Kitagawa Yuichi , Moriake Ryoma , Ferreira da Rosa Pedro Paulo , Islam Md. Jahidul , Yoneda Tomoki , Inokuma Yasuhide , Fushimi Koji , Hasegawa Yasuchika 
Published: August 2021

AbstractIn this study, we have demonstrated a two‐legged, upright molecular design method for monochromatic and bright red luminescent LnIII‐silica nanomaterials. A novel EuIII‐silica hybrid nanoparticle was developed by using a doubly binding TPPO−Si(OEt)3 (TPPO: triphenyl phosphine oxide) linker. The TPPO−Si(OEt)3 was confirmed by 1H, 31P, 29Si NMR spectroscopy and single‐crystal X‐ray analysis. Luminescent Eu(hfa)3 and Eu(tfc)3 moieties (hfa: hexafluoroacetylacetonate, tfc: 3‐(trifluoromethylhydroxymethylene)camphorate) were fixed onto TPPO−Si(OEt)3‐modified silica nanoparticles, producing Eu(hfa)3(TPPO−Si)2‐SiO2 and Eu(tfc)3(TPPO−Si)2‐SiO2, respectively. Eu(hfa)3(TPPO−Si)2−SiO2 exhibited the higher intrinsic luminescence quantum yield (93 %) and longer emission lifetime (0.98 ms), which is much larger than those of previously reported EuIII‐based hybrid materials. Eu(tfc)3(TPPO−Si)2−SiO2 showed an extra‐large intrinsic emission quantum yield (54 %), although the emission quantum yield for the precursor Eu(tfc)3(TPPO−Si(OEt)3)2 was found to be 39 %. These results confirmed that the TPPO−Si(OEt)3 linker is a promising candidate for development of EuIII‐based luminescent materials.
“Anti‐electrostatic” Halogen Bonding between Ions of Like Charge
Authors: Holthoff Jana M. , Weiss Robert , Rosokha Sergiy V. , Huber Stefan M. 
Published: August 2021

AbstractHalogen bonding occurs between molecules featuring Lewis acidic halogen substituents and Lewis bases. It is often rationalized as a predominantly electrostatic interaction and thus interactions between ions of like charge (e. g., of anionic halogen bond donors with halides) seem counter‐intuitive. Herein, we provide an overview on such complexes. First, theoretical studies are described and their findings are compared. Next, experimental evidences are presented in the form of crystal structure database analyses, recent examples of strong “anti‐electrostatic” halogen bonding in crystals, and the observation of such interactions also in solution. We then compare these complexes to select examples of “counter‐intuitive” adducts formed by other interactions, like hydrogen bonding. Finally, we comment on key differences between charge‐transfer and electrostatic polarization.
Computational fluid dynamics simulations for 3D muscle fiber architecture in finite element analysis: Comparisons between computational fluid dynamics and diffusion tensor imaging
Authors: Varvik Jos , Besier Thor F. , Handsfield Geoffrey G. 
Published: August 2021

AbstractKnowledge of skeletal muscle fiber orientations is important for modeling mechanical properties and behavior of muscle tissue. Diffusion tensor imaging (DTI) may be used to define fiber architecture in vivo but can be expensive and time‐consuming and thus impractical for biomechanical modeling applications. Muscle tractography using computational fluid dynamics (CFD) has been shown to determine muscle fiber directions for finite element models in which aponeuroses serve as inlet and outlet boundaries. While the technique is simple to implement, it is unclear which flow simulations and constraints achieve fiber architectures similar to DTI and whether FE simulations based on CFD versus DTI fiber directions produce similar results. Here, we implement CFD tractography on the gastrocnemius muscle using a novel boundary condition method that we developed based on specified inflow direction. We compared results from incompressible potential flow and nondimensionalized incompressible Stokes flow. Comparisons were made between flow methods and results from DTI. Mechanical finite element simulations were subsequently performed on muscle models with fiber directions defined by CFD tractography and DTI. Using our boundary condition method, fiber directions modeled from CFD simulations were similar to DTI. Strain distributions from mechanical simulations were similar between Stokes flow and DTI fiber models. This study demonstrates a new method for specifying inlet boundary conditions that generates physiologically reasonable fiber directions in skeletal muscle. Finite element simulations based on this method are similar to those from DTI, illustrating the ability of CFD to determine muscle fiber architecture for modeling purposes when DTI is not available.