bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Changes of Hierarchically Nanoporous Organosilica/Silica Hybrid Materials by Pseudomorphic Transformation
Authors: Bilo Malina , Münzner Maximilian , Küster Christian , Enke Dirk , Lee Young Joo , Fröba Michael 
Published: March 2020

AbstractHerein, it is reported how pseudomorphic transformation of divinylbenzene (DVB)‐bridged organosilica@controlled pore glasses (CPG) offers the possibility to generate hierarchically porous organosilica/silica hybrid materials. CPG is utilized to provide granular shape/size and macroporosity and the macropores of the CPG is impregnated with organosilica phase, forming hybrid system. By subsequent pseudomorphic transformation, an ordered mesopore phase is generated while maintaining the granular shape and macroporosity of the CPG. Surface areas and mesopore sizes in the hierarchical structure are tunable by the choice of the surfactant and transformation time. Two‐dimensional magic angle spinning (MAS) NMR spectroscopy demonstrated that micellar‐templating affects both organosilica and silica phases and pseudomorphic transformation induces phase transition. A double‐layer structure of separate organosilica and silica layers is established for the impregnated material, while a single monophase consisting of randomly distributed T and Q silicon species at the molecular level is identified for the pseudomorphic transformed materials.
Pyrrole‐Protected β‐Aminoalkylzinc Reagents for the Enantioselective Synthesis of Amino‐Derivatives
Authors: Leroux Marcel , Huang Wan‐Yun , Lemke Yannick , Koller Thaddäus J. , Karaghiosoff Konstantin , Knochel Paul 
Published: March 2020

AbstractChiral β‐aminoalkylzinc halides were prepared starting from optically pure commercial β‐amino‐alcohols. These amino‐alcohols were converted to the corresponding N‐pyrrolyl‐protected alkyl iodides which undergo a zinc insertion in the presence of LiCl (THF, 25 °C, 10–90 min). Subsequent Negishi cross‐coupling or acylation reactions with acid chlorides produced amino‐derivatives with retention of chirality. Diastereoselective CBS‐reductions of some prepared N‐pyrrolyl‐ketones provided 1,3‐subsituted N‐pyrrolyl‐alcohols with high diastereoselectivity. Additionally, a deprotection procedure involving an ozonolysis allowed the conversion of the pyrrole‐ring into a formamide without loss of optical purity.
Ultrasensitive and Selective Copper(II) Detection: Introducing a Bioinspired and Robust Sensor
Authors: Müller Lena K. , Duznovic Ivana , Tietze Daniel , Weber Wadim , Ali Mubarak , Stein Viktor , Ensinger Wolfgang , Tietze Alesia A. 
Published: March 2020

AbstractA nanopore‐based CuII‐sensing system is reported that allows for an ultrasensitive and selective detection of CuII with the possibility for a broad range of applications, for example in medical diagnostics. A fluorescent ATCUN‐like peptide 5/6‐FAM‐Dap‐β‐Ala‐His is employed to selectively bind CuII ions in the presence of NiII and ZnII and was crafted into ion track‐etched nanopores. Upon CuII binding the fluorescence of the peptide sensor is quenched, permitting the detection of CuII in solution. The ion transport characteristics of peptide‐modified nanopore are shown to be extremely sensitive and selective towards CuII allowing to sense femtomolar CuII concentrations in human urine mimics. Washing with EDTA fully restores the CuII‐binding properties of the sensor, enabling multiple repetitive measurements. The robustness of the system clearly has the potential to be further developed into an easy‐to‐use, lab‐on‐chip CuII‐sensing device, which will be of great importance for bedside diagnosis and monitor of CuII levels in patients with copper‐dysfunctional homeostasis.
Boranediyl‐ and Diborane(4)‐1,2‐diyl‐Bridged Platinum A‐Frame Complexes
Authors: Brunecker Carina , Müssig Jonas H. , Arrowsmith Merle , Fantuzzi Felipe , Stoy Andreas , Böhnke Julian , Hofmann Alexander , Bertermann Rüdiger , Engels Bernd , Braunschweig Holger 
Published: March 2020

AbstractDiplatinum A‐frame complexes with a bridging (di)boron unit in the apex position were synthesized in a single step by the double oxidative addition of dihalo(di)borane precursors at a bis(diphosphine)‐bridged Pt02 complex. While structurally analogous to well‐known μ‐borylene complexes, in which delocalized dative three‐center‐two‐electron M‐B‐M bonding prevails, theoretical investigations into the nature of Pt−B bonding in these A‐frame complexes show them to be rare dimetalla(di)boranes displaying two electron‐sharing Pt−B σ‐bonds. This is experimentally reflected in the low kinetic stability of these compounds, which are prone to loss of the (di)boron bridgehead unit.
Rational Design of a N,S Co‐Doped Supermicroporous CoFe–Organic Framework Platform for Water Oxidation
Authors: Huang Zhao‐Qian , Wang Bin , Pan Dong‐Sheng , Zhou Ling‐Li , Guo Zheng‐Han , Song Jun‐Ling 
Published: March 2020

AbstractIt remains a challenge to rational design of a new metal–organic framework (MOF) as highly efficient direct electrocatalysts for the oxygen evolution reaction (OER). Herein, we developed a simple and effective method to explore a new pillared‐layered MOF with syringic acid as a promising OER electrocatalyst. The isostructural mono‐, heterobimetallic MOF and N,S co‐doped MOF by mixing thiourea were quickly synthesized in a high yield under solvothermal condition. Moreover, the optimized N,S co‐doped MOF exhibits the lowest overpotential of 254 mV at 10 mA cm−2 on a glass carbon electrode and a small Tafel slope of 50 mV dec−1, especially, this catalyst also possesses long‐term electrochemical durability for at least 16 h. According to the characterization, the incorporation of N and S atoms into this heterobimetallic CoFe‐based MOF could modify its pore structure, tune the electronic structure, accordingly, improve the mass and electron transportation, and facilitate the formation of active species, as a consequence, the improved activity of this new N,S co‐doped MOF for OER should be mainly be ascribed to higher electrochemical activation toward the active species via in situ surface modification during the OER process.
Enhancing Molecular Electrocatalysis of CO2 Reduction with Pressure‐Tunable CO2‐Expanded Electrolytes
Authors: Sconyers David J. , Shaughnessy Charles I. , Lee Hyun‐Jin , Subramaniam Bala , Leonard Kevin C. , Blakemore James D. 
Published: March 2020

AbstractElectrochemical studies of CO2 conversion by molecular catalysts are typically carried out in a narrow range of near‐ambient CO2 pressures wherein low CO2 solubilities in the liquid phase can limit the rate of CO2 reduction. In this study, five‐fold rate enhancements are enabled by pairing CO2‐expanded electrolytes (CXEs), a class of media that accommodate multimolar concentrations of CO2 in organic solvents at modest pressures, with a homogeneous molecular electrocatalyst, [Re(CO)3(bpy)Cl] (1, bpy=2,2′‐bipyridyl). Analysis of cyclic voltammetry data reveals pressure‐tunable rate behavior, with first‐order kinetics at moderate CO2 pressures giving way to zero‐order kinetics at higher pressures. The significant enhancement in the space‐time yield of CO demonstrates that CXEs offer a simple yet powerful strategy for unlocking the intrinsic potential of molecular catalysts by mitigating CO2 solubility limitations commonly encountered in conventional liquid electrolytes. Moreover, our findings reveal that 1, a workhorse molecular catalyst, performs with intrinsic kinetic behavior, which is competitive with fast enzymes under optimal conditions in CXEs.
Crystalline Copper Selenide as a Reliable Non‐Noble Electro(pre)catalyst for Overall Water Splitting
Authors: Chakraborty Biswarup , Beltrán‐Suito Rodrigo , Hlukhyy Viktor , Schmidt Johannes , Menezes Prashanth W. , Driess Matthias 
Published: March 2020

AbstractElectrochemical water splitting remains a frontier research topic in the quest to develop artificial photosynthetic systems by using noble metal‐free and sustainable catalysts. Herein, a highly crystalline CuSe has been employed as active electrodes for overall water splitting (OWS) in alkaline media. The pure‐phase klockmannite CuSe deposited on highly conducting nickel foam (NF) electrodes by electrophoretic deposition (EPD) displayed an overpotential of merely 297 mV for the reaction of oxygen evolution (OER) at a current density of 10 mA cm−2 whereas an overpotential of 162 mV was attained for the hydrogen evolution reaction (HER) at the same current density, superseding the Cu‐based as well as the state‐of‐the‐art RuO2 and IrO2 catalysts. The bifunctional behavior of the catalyst has successfully been utilized to fabricate an overall water‐splitting device, which exhibits a low cell voltage (1.68 V) with long‐term stability. Post‐catalytic analyses of the catalyst by ex‐situ microscopic, spectroscopic, and analytical methods confirm that under both OER and HER conditions, the crystalline and conductive CuSe behaves as an electro(pre)catalyst forming a highly reactive in situ crystalline Cu(OH)2 overlayer (electro(post)catalyst), which facilitates oxygen (O2) evolution, and an amorphous Cu(OH)2/CuOx active surface for hydrogen (H2) evolution. The present study demonstrates a distinct approach to produce highly active copper‐based catalysts starting from copper chalcogenides and could be used as a basis to enhance the performance in durable bifunctional overall water splitting.
Microemulsion and bovine serum albumin nanoparticles as a novel hybrid nanocarrier system for efficient multifunctional drug delivery
Authors: Gharbavi Mahmoud , Danafar Hossein , Sharafi Ali 
Published: March 2020

AbstractThe present study aims to: (a) design the versatile microemulsions (MEs) system for drug delivery; (b) use the bovine serum albumin nanoparticles for MEs system development; (c) characterize the physicochemical properties, cytotoxicity, and biocompatibility of the modified MEs (MMEs) system; (d) load of paclitaxel (PTX) and folate conjugate of MEs system; and (e) assess the potential of anticancer activity of MEs system. The physicochemical possessions, in vitro and in vivo cytotoxicity, and stability of MMEs system were characterized. The results of our study show that the MEs system was stable, having narrow particle size distribution, nontoxic, biocompatible, and not active for leukocyte proliferation. So it can be concluded that the MMEs system as a promising candidate for a targeted multifunctional drug delivery system (PTX and folate) that is called a smart MEs system.
Preparation of galactosylated curcumol liposomes
Authors: Li Wenjie , Lu Yan , Cheng Yi , Luo Hui , Jia Zhenbin , Li Ning 
Published: March 2020

AbstractCurcumol (Cur), which is the primary active anti‐liver cancer component of Chinese traditional medicine Rhizoma zedoariae, was encapsulated in galactosylated liposomes to enhance its liver‐targeting efficacy. In this study, we optimized the preparation methods, prescription, and process of galactosylated curcumol liposomes (Gal‐Cur‐L). The experimental results showed that the encapsulation efficiency, particle diameter, and stability coefficient of Gal‐Cur‐L obtained by the two‐step emulsification method were improved compared with those of it obtained by other methods. Single‐factor investigation showed that two factors, pH and the amount of triolein, contribute at least partly to the encapsulation efficiency and particle diameter of Gal‐Cur‐L. The best prescription and process were obtained through orthogonal test: the ratio of lecithin to cholesterol was 2:1, the ratio of drug to lipid was 1:2, and the amount of ether and Twain‐80 were 4 ml and 1.6 g/L, respectively, 15 min for ultrasonic time, 100 W for ultrasonic power, and 20 min for homogeneous time. Using the best method, prescription, and process mentioned earlier, the basic test results of Gal‐Cur‐L were obtained, which demonstrated that our methods, prescription, and process of Gal‐Cur‐L were applicable. The encouraging results of this study provided references for the research of liver‐targeting reagents of curcumol.
Experimental and theoretical approaches to the study of the reactivity and mechanism of the substitution of phenyl 1‐(2,4‐dinitronaphthyl) ether with anilines derivatives
Authors: Moghazy Yasmen M. , Fathalla Magda F. , Hamada Nagwa M. M. , Elmarassi Yasser R. , Hamed Ezzat A. 
Published: March 2020

AbstractReactions of aniline derivatives in dimethyl sulfoxide with phenyl 1‐(2,4‐dinitronaphthyl) ether yield aryl 1‐(2,4‐dinitronaphthyl) amine, which results in substitution of the phenoxy groups at the naphthyl ipso carbon atom. Rate constants were measured spectrophotometrically, and reaction proton transfer was rate limiting. The values of the rate coefficients indicate a rate‐limiting proton transfer mechanism with significant substituent effects. The calculated activation parameters were of regular variation with substituents in 4‐ and 3‐position in the aniline nucleophile, and the reaction proceeded through a common mechanism. Hammett's reaction constant showed that the reaction rate constants depend on the electron density of the nitrogen atom of aniline derivative, whereas the coefficient value obtained from the Brönsted relation indicated that the reaction was significantly associative and quite zwitterion like. Computational studies of the substitution were carried out based on density functional theory, and theoretical to the experimental agreement was achieved.
The reverse Napoleon effect: The brand appreciation of looking up by tall people
Authors: Orth Ulrich R. , Machiels Casparus J. A. , Rose Gregory M. 
Published: March 2020

AbstractIntegrating the embodied cognition framework with research on the self, this study shows that head canting (the vertical tilt of the head to look up vs. down) interacts with a viewer's physical height to influence perceived brand power and behavioral intentions. Three studies use a variety of brand cues in both laboratory and field contexts to test the effect of head canting on brand power evaluations, the role of a person's physical height as a moderator and boundary condition, and the mediating role of consumer–brand identification. Study 1, an experiment, showed that tall, but not short individuals, evaluate a brand as more powerful when looking up (rather than down) at a brand story from a standing position, with differences in brand power impacting brand attitudes and choice. Study 2 replicates these findings with 30 brands, consumers positioned in a seated position, and brand logos. Both studies rule out the construal level as a process mediator. Study 3 further examines the process and demonstrates that the interaction of head canting with a person's height impacts consumer–brand identification, which mediates brand evaluations. These findings add a brand management and physical‐self perspective to previous embodiment research by specifically examining the effects of sensorimotor experiences.
The creation and validation of a short form of the Neurogenic Bladder Symptom Score
Authors: Welk Blayne , Lenherr Sara , Elliott Sean , Stoffel John , Gomes Cristiano M. , de Bessa Jose , Cintra Lisley K. L. , Myers Jeremy B. ,   for the Neurogenic Bladder Research Group
Published: March 2020

AbstractAimTo develop a short form (SF) of the 24‐item Neurogenic Bladder Symptom Score (NBSS).MethodsWe used three previously published datasets. First, we selected the most responsive questions within each of the domains. Internal validity of the NBSS‐SF was assessed using Cronbach's α. External validity was assessed by evaluating hypothesized relationships with other questionnaires and testing correlations with the full NBSS domains. Test‐retest reliability of the NBSS‐SF domains was determined using an intraclass coefficient (ICC).ResultsUsing data from a prior responsiveness study, we selected questions for the NBSS‐SF from the incontinence domain (three), storage/voiding domain (three), consequences domain (two); these would make up the NBSS‐SF. We used the original NBSS validation cohort of 230 patients with multiple sclerosis (MS), spinal cord injury (SCI), or spina bifida, and found the Cronbach's α was .76 for the NBSS‐SF; the external validity was high, with correlations between specific NBSS‐SF domains/total scores and the Qualiveen‐SF, ICIQ, and AUASS generally similar to those seen with the NBSS. Correlations between the NBSS‐SF domains and the full NBSS domains were high. The NBSS‐SF ICC in a subset of 120 patients was 0.84. The NBSS‐SF performed similarly in two additional independent datasets.ConclusionsThe total score of the NBSS‐SF has appropriate validity, reliability, and could be used instead of the full NBSS to minimize the assessment burden. The full NBSS may be better suited if the primary focus of the study is on neurogenic bladder symptoms, or if individual NBSS domains are of interest.
miRNA expression can classify pediatric thyroid lesions and increases the diagnostic yield of mutation testing
Authors: Franco Aime T. , Labourier Emmanuel , Ablordeppey Kenny Kwabena , Surrey Lea F. , Mostoufi‐Moab Sogol , Isaza Amber , Adzick N. Scott , Kazahaya Ken , Kumar Gyanendra , Bauer Andrew J. 
Published: March 2020

AbstractBackgroundGenetic alterations in multiple cell signaling pathways are involved in the molecular pathogenesis of thyroid cancer. Oncogene mutation testing and gene‐expression profiling are routinely used for the preoperative risk management of adult thyroid nodules. In this study, we evaluated the potential value of miRNA biomarkers for the classification of pediatric thyroid lesions.ProcedureDouble‐blind case‐control study with 113 resected pediatric lesions: 66 malignant and 47 benign. Quantitative and qualitative molecular data generated with a 10‐miRNA expression panel (ThyraMIR) and a next‐generation sequencing oncogene panel (ThyGeNEXT) were compared with clinicopathological parameters.ResultsmiRNAs were differentially expressed in benign versus malignant tumors with distinct expression patterns in different histopathology categories. The 10‐miRNA classifier identified 39 (59%) malignant lesions with 100% specificity. A positive classifier score was associated with lymph node metastasis, extrathyroidal extension and intrathyroidal spread. Genetic alterations associated with increased risk for malignancy were detected in 35 (53%) malignant cases, 20 positive for point mutations in BRAF, HRAS, KRAS, NRAS, PIK3CA, or TERT and 15 positive for gene rearrangements involving ALK, NTRK3, PPARG, or RET. The 10‐miRNA classifier correctly identified 11 mutation‐negative malignant cases. The performance of the combined molecular test was 70% sensitivity and 96% specificity with an area under the curve of 0.924.ConclusionsThese data suggest that the regulatory miRNA pathways underlying thyroid tumorigenesis are similar in adults and children. miRNA expression can identify malignant lesions with high specificity, augment the diagnostic yield of mutation testing, and improve the molecular classification of pediatric thyroid nodules.
Assessing the effects of beta‐blockers on pancreatic cancer risk: A nested case‐control study
Authors: Saad Akram , Goldstein Jeffrey , Margalit Ofer , Shacham‐Shmueli Einat , Lawrence Yaacov R. , Yang Yu‐Xiao , Reiss Kim A. , Golan Talia , Mamtani Ronac , Halpern Naama , Aderka Dan , Mouallem Meir , Goldstein Adam , Giantonio Bruce , Boursi Ben 
Published: March 2020

AbstractPurposeBoth β1‐ and β2‐adrenoceptor proteins were detected on the cell surface of pancreatic ductal adenocarcinoma. The current study evaluated the association between beta‐blocker use and pancreatic cancer risk.MethodsWe conducted a nested case‐control study in a large population representative database. Each pancreatic cancer case was matched with four controls based on age, sex, practice site, and duration of follow‐up using incidence density sampling. Beta‐blocker use was defined as any prescription prior to index date and was stratified into non‐selective and selective β1‐blockers. The odds ratios (ORs) and 95% confidence intervals (95% CIs) for pancreatic cancer risk associated with beta‐blocker use was estimated using conditional logistic regression.ResultsThe study included 4113 patients with pancreatic cancer and 16 072 matched controls. When compared to never users, there was no association between any beta‐blocker use and pancreatic cancer risk (adjusted OR 1.06, 95% CI 0.97‐1.16, P = .16). Analysis by receptor selectivity showed use of non‐selective beta‐blockers for more than 2 years was associated with a reduced pancreatic cancer risk (OR 0.75, 95% CI 0.57‐1.00, P = .05). When compared to former users both users of selective β1‐blockers and non‐selective beta‐blockers had a reduced pancreatic cancer risk (OR 0.78, 95% CI 0.67‐0.90, P = .001) and (OR 0.67, 95% CI 0.49‐0.92, P = .01), respectively.ConclusionBeta‐blocker use was not associated with increased pancreatic cancer risk. However, long‐term use of beta‐blockers may be associated with decreased pancreatic cancer risk.
Forming submicron in micron texture on the diamond‐wire‐sawn mc‐Si wafer by introducing artificial defects
Authors: Wu Chengkun , Zou Shuai , Zhu Jingyan , Ye Xiaoya , Ding Jianming , Sun Hua , Wang Xusheng , Xing Guoqiang , Zhang Xiaohong , Su Xiaodong 
Published: March 2020

AbstractBased on a traditional acid etch system (i.e., HNO3/HF), a complex texture comprising microscale and submicroscale structures was produced on the surface of a diamond‐wire‐sawn (DWS) multicrystalline Si (mc‐Si) wafer, upon whose surface it is typically difficult to form an effective texture for suppressing the reflection of incident light. Immersing the as‐cut wafer into an HF/HNO3/AgNO3 solution introduced a large number of artificial defects onto the wafer surface. A subsequent HNO3/HF etch induced a micron texture expanded from the original DWS‐induced damage as well as a submicron texture converted from the artificial defects. The multiscale textured DWS exhibited a reflectivity of ~19%, which is much lower than the reflectivity after only an HNO3/HF etch (~28%). Therefore, the solar cell performance was improved owing primarily to improved optical antireflection and surface passivation. The method is simple and can be easily scaled up into the in‐line texture process.
Multifunctional Sulfur‐Hyperdoped Silicon Nanoparticles with Engineered Mid‐Infrared Sulfur‐Impurity and Free‐Carrier Absorption
Authors: Nastulyavichus Alena A. , Saraeva Irina N. , Rudenko Andrey A. , Khmelnitskii Roman A. , Shakhmin Alexander L. , Kirilenko Demid A. , Brunkov Pavel N. , Melnik Nikolay N. , Smirnov Nikita A. , Ionin Andrey A. , Kudryashov Sergey I. 
Published: March 2020

AbstractSi nanoparticles (NPs), which are innovative promising light‐harvesting components of thin‐film solar cells and key‐enabling biocompatible theranostic elements of infrared‐laser and radiofrequency hyperthermia‐based therapies of cancer cells in tumors and metastases, are significantly advanced in their near/mid‐infrared band‐to‐band and free‐carrier absorption via donor sulfur‐hyperdoping during high‐throughput facile femtosecond‐laser ablative production in liquid carbon disulfide. High‐resolution transmission electron microscopy and Raman microscopy reveal their mixed nanocrystalline/amorphous structure, enabling the extraordinary sulfur content of a few atomic percents and very minor surface oxidation/carbonization characterized by energy‐dispersive X‐ray spectroscopy and X‐ray photoelectron spectroscopy. A 200‐nm thick layer of the nanoparticles exhibits near−mid‐infrared absorbance, comparable to that of the initial 380‐micron thick n‐doped Si wafer (phosphor‐dopant concentration ≈1015 cm−3), with the corresponding extinction coefficient for the hyperdoped NPs being 4–7 orders higher over the broadband spectral range of 1–25 micrometers. Such ultimate, but potentially tunable mid‐IR structured, multi‐band absorption of various sulfur‐impurity clusters and smooth free‐carrier absorption are break through advances in mid‐infrared (mid‐IR) laser and radiofrequency (RF) hyperthermia‐based therapies, as envisioned in the RF‐heating tests, and in fabrication of higher‐efficiency thin‐film and bulk photovoltaic devices with ultra‐broad (UV−mid‐IR) spectral response.