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Metal-cluster (Be, Sc, Ti) decorated c 24 nanocages and their hydrogen storage performance

carbon Trends 2025年 20卷

作者： K.B. Nerkar Poonam Parkar Ajay chaudhari Department of Physics The Institute of Science Dr. Homi Bhabha State University Mumbai 400032 India

Single Be, Sc, Ti metal atom and their cluster (dimer and trimer) decorated c 24 nanocages are considered for hydrogen storage. A comparison of single metal atom, dimer, and trimer decorated c 24 nanocages and their hydrogen storage performance is carried out. Decoration of single Be atom on c 24 nanocage distorts the nanocage and it is not suitable for hydrogen storage. Be 2 , Be 3 , Sc, Sc 2 , Sc 3 , Ti, Ti 2 , and Ti 3 metal atom/cluster decoration do not distort the c 24 nanocage geometry before H 2 adsorption. After H 2 adsorption Sc 2 , Sc 3 and Ti 3 clusters get broken into their constituent atoms and do not remain in cluster form. Among the metal cluster decorated c 24 structures considered, c 24 Ti and c 24 Ti 2 show thermodynamically favorable H 2 adsorption at ambient conditions without distorting the metal cluster after H 2 adsorption and thus they are more suitable for hydrogen storage at ambient conditions than the other structures considered. Though the Sc 3 and Ti 3 cluster decorated c 24 nanocages show the highest and second highest H 2 uptake capacity among all the structures considered and also thermodynamically favorable H 2 adsorption at ambient conditions, the Sc 3 and Ti 3 clusters get broken after maximum H 2 molecules adsorption.

关键词： Metal cluster decoration c 24 nanocage Hydrogen storage

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Norm upper-semicontinuity of functions supported on open abelian isotropy in étale groupoids. corrigendum to “Reconstruction of groupoids and c ⁎ -rigidity of dynamical systems” [Adv. Math. 390 (2021) 107923]

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Advances in Mathematics 2025年 466卷

作者： Toke Meier carlsen Anna Duwenig Efren Ruiz Aidan Sims Køge Denmark Department of Mathematics KU Leuven Leuven Belgium Department of Mathematics University of Hawaii Hilo 200 W. Kawili St. Hilo HI 96720-4091 USA School of Mathematics and Applied Statistics University of Wollongong NSW 2522 Australia

We consider étale Hausdorff groupoids in which the interior of the isotropy is abelian. We prove that the norms of the images under regular representations, of elements of the reduced groupoid c ⁎ -algebra whose ... 详细信息

关键词： primary 46L05 Groupoid c ⁎ -algebra cartan subalgebra

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Evaluation of dose-linearity in the systemic availability and pharmacokinetics of topically administered diclofenac: a 14 c-microdosing study in healthy volunteers

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Drug Metabolism and Disposition 2025年

作者： Severin Mairinger Mihye Kwon Martin Bauer Jinho Song Edith Lackner Anselm Jorda Felix Bergmann Iris K. Minichmayr Ka Yeon Kim Min Sun choi Jae Hoon Shim Stephen R. Dueker Markus Zeitlinger Oliver Langer Department of Clinical Pharmacology Medical University of Vienna 1090 Vienna Austria Department of Biomedical Imaging and Image-guided Therapy Medical University of Vienna 1090 Vienna Austria Korea Radio-Isotope Center for Pharmaceuticals Korea Institute of Radiological & Medical Sciences 01812 Seoul Korea

An important safety consideration for topically administered drugs is the extent of systemic exposure they achieve. The aim of this study was to evaluate whether a topically administered microdose of the model drug diclofenac can predict the systemic availability, plasma, and tissue pharmacokinetics of a topical therapeutic dose. Eight healthy participants (6 men, 2 women) participated in a four-period, cross-over study. In period 1, a topical microdose (62±6 μg) was administered; in period 2, a single intravenous microdose (0.95±0.03 μg); in period 3, a topical therapeutic dose (120 mg); and in period 4, a single intravenous therapeutic dose (75 mg) of [ 14 c]diclofenac, with or without the addition of unlabeled diclofenac. Venous blood, urine, and microdialysis samples from subcutaneous adipose tissue beneath the dermal application site were collected for 24 hours post-dosing. Total 14 c-concentrations in plasma and microdialysates were quantified using accelerator mass spectrometry (AMS). The disposition of intravenously administered [ 14 c]diclofenac was dose-linear. However, after topical administration, the fraction of total 14 c absorbed (geometric mean, 95% cI) was higher ( P =0.0019, two-tailed, paired t -test) for the microdose (0.48%, 0.34-0.67%) compared to the therapeutic dose (0.13%, 0.07-0.22%) (geometric mean ratio, 90% cI: 3.79, 2.41-5.98). Dose-normalized 14 c-concentrations in microdialysates were low, variable, and did not differ between doses. Our study demonstrates the feasibility of quantifying 14 c-concentrations in plasma and microdialysates following the topical administration of a microdose of [ 14 c]diclofenac. The observed non-linearity in systemic availability after topical dosing suggests that microdosing may not accurately predict the disposition of certain topical drugs at therapeutic doses. Significance Statement We assessed whether a topically applied microdose of diclofenac could predict the systemic availability of a therapeutic

关键词： Microdosing Topical drugs Microdialysis Dose-linearity ABc adenosine triphosphate-binding cassette ADME absorption distribution metabolism and excretion AUc 0-24 area under the concentration-time curve from 0 to 24 hours AUc 0-inf area under the concentration-time curve from 0 to infinity AMS accelerator mass spectrometry BcRP breast cancer resistance protein 14 c carbon-14 cI confidence interval cL total clearance from plasma c max maximum plasma concentration F abs fraction absorbed GMR geometric mean ratio HSA human serum albumin Lc-MS/MS liquid chromatography tandem mass spectrometry LLOQ lower limit of quantification LSc liquid scintillation counting MRT mean residence time ng-eg/mL nanogram diclofenac equivalents per milliliter NSAID nonsteroidal anti-inflammatory drug PBS phosphate-buffered saline PET positron emission tomography P-gp P-glycoprotein PK pharmacokinetic(s) t max time to maximum plasma concentration V z volume of distribution V ss volume of distribution at steady state

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Multiobjective Program with Support Functions Under(G, c, ρ)-convexity Assumptions

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Journal of Systems Science & complexity 2015年第5期28卷 1148-1163页

作者： YUAN Dehui LIU Xiaoling Department of Mathematics Hanshan Normal University

This paper deals with multiobjective programming problems with support functions under(G, c, ρ)-convexity assumptions. Not only sufficient but also necessary optimality conditions for this kind of multiobjective programming problems are established from a viewpoint of(G, c, ρ)-*** the sufficient conditions are utilized, the corresponding duality theorems are derived for general Mond-Weir type dual program.

关键词： (G c ρ)-convex G-duality theory G-necessary conditions G-sufficient conditions multiobjective program

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cyclic-fatigue life prediction in c/Sic composites subjected to stochastic load spectra with hold cycles

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MEcHANIcS OF TIME-DEPENDENT MATERIALS 2023年第3期27卷 843-874页

作者： Li, Longbiao Nanjing Univ Aeronaut & Astronaut Coll Civil Aviat 29 Jiangjun Ave Nanjing 211106 Peoples R China

In this work, the life prediction of c/Sic composites subjected to stochastic load spectra with hold cycles is investigated using a damage-based micromechanical model. Relationships between the fiber's architecture (i.e., 1D unidirectional, 2D crossply and plain-woven, 2.5D woven, and 3D braided), stochastic load spectra, hold cycles, fiber-fragmentation probability (FFP), and composite fatigue-life degradation rate (FFDR) are established. Experimental FFDR and FFP in different c/Sic composites are predicted. Under the low fatigue peak stress, the FFDR is the highest during increasing stochastic stress for 1D and 3D c/Sic and is the highest during decreasing stochastic stress for 2D and 2.5D c/Sic. Under the high fatigue peak stress, the FFDR is the highest during decreasing stochastic stress for 1D, 2D, 2.5D and 3D c/Sic. The FFDR at the constant stochastic stress level is the lowest under the low or high fatigue peak stress.

关键词： c Sic Life cyclic fatigue Stochastic load spectrum Hold cycles

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c-PROGRAMS FOR DISPLAYING SHADED 3-DIMENSIONAL OBJEcTS ON A Pc

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cOMPUTERS & GEOScIENcES 1990年第2期16卷 195-209页

作者： SAVAZZI, E Paleontologiska Institutionen Box 558 S-75122 Uppsala Sweden

A set of general routines for three-dimensional computer graphics, including removal of hidden lines and surfaces, shading, and antialiasing, are described. Problems encountered in their implementation are discussed. The routines are written in c, display arbitrarily complex objects, and are optimized to produce high-quality images on personal computers of the IBM Pc, AT, and PS/2 families equipped with VGA graphic interfaces. A few applications of these techniques to the geosciences are suggested.

关键词： c Hidden-line problems Shading Antialiasing Three-dimensional computer graphics IBM Pc IBM AT IBM PS/2 VGA Personal computers

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Lightweight runtime checking of c programs with RTc

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cOMPUTER LANGUAGES SYSTEMS & STRUcTURES 2016年 45卷 191-203页

作者： Milewicz, Reed Vanka, Rajesh Tuck, James Quinlan, Daniel Pirkelbauer, Peter Univ Alabama Birmingham Birmingham AL 35233 USA Matlab San Jose CA USA N Carolina State Univ Raleigh NC 27695 USA Lawrence Livermore Natl Lab Livermore CA USA

The c Programming Language is known for being an efficient language that can be compiled on almost any architecture and operating system. However the absence of dynamic safety checks and a relatively weak type system allows programmer oversights that are hard to spot. In this paper, we present RTc, a runtime monitoring tool that instruments unsafe code and monitors the program execution. RTc is built on top of the ROSE compiler infrastructure. RTc finds memory bugs and arithmetic overflows and underfiows, and run-time type violations. Most of the instrumentations are directly added to the source file and only require a minimal runtime system. As a result, the instrumented code remains portable. In tests against known error detection benchmarks, RTc found 98% of all memory related bugs and had zero false positives. In performance tests conducted with well known algorithms, such as binary search and MD5, we determined that our tool has an average run-time overhead rate of 9.7 x and memory overhead rate of 3.5 x. (c) 2016 Elsevier Ltd. All rights reserved.

关键词： Runtime monitoring Source code instrumentation Static analysis c c plus

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c++ - SOLVING cS SHORTcOMINGS

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cOMPUTER LANGUAGES 1989年第3期14卷 137-152页

作者： EDELSON, D POHL, I Department of Computer and Information Sciences University of California Santa Cruz CA 95064 U.S.A.

c++ [1, 2] extends a modern, general purpose programming language into the object-oriented programming paradigm. The language ameliorates disadvatanges of c while introducing new problems. Advantages and disadvantages of traditional c [3, 4] have been discussed in [5]. This paper assesses c++, examining why it is better general purpose programming langauge. Since c++ is “object-oriented” we consider how well it implements that metaphor. In this paper we assume the reader has a working knowledge of the c programming language. Section 1 briefly enumerates advantages and disadvantages of c to provide a context for assessing c++. In Section 2 we describe new c++ features and discuss ways they ameliorate shortcomings of c. Section 3 describes philosophical and practical problems with c++. The last section assesses c++ as a successor to c.

关键词： Language assessment Typing Object-oriented programming c c++ Encapsulation Abstraction

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construction of Functionalized (Dihydro)thieno[2,3-c ]chromene Derivatives via a Domino Michael Addition/Intramolecular cyclization Reaction

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SYNTHESIS-STUTTGART 2018年第8期50卷 1667-1674页

作者： Yu, Li-Si-Han Dong, Jian-Lian Gao, Zhi-Jian Wang, Jing Xie, Jian-Wu Zhejiang Normal Univ Dept Chem & Life Sci Jinhua 321004 Peoples R China

A one-pot synthesis of substituted (dihydro)thieno[2,3-c]chromene derivatives was developed through a Lewis base catalyzed domino Michael addition/intramolecular cyclization reaction between 3-nitro-2H -chromenes and thioamides. The desired (dihydro)thieno[2,3-c]chromene derivatives were prepared with a large substrate scope (22 examples) and excellent diastereoselectivity in moderate to excellent yields.

关键词： 3-nitro-2 H -chromenes thioamides domino reactions thieno[2 3- c ]chromenes heterocycles

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Formal Verification of c Systems code

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JOURNAL OF AUTOMATED REASONING 2009年第2-4期42卷 125-187页

作者： Tuch, Harvey Natl ICT Australia Sydney Res Lab Eveleigh Australia

Systems code is almost universally written in the c programming language or a variant. c has a very low level of type and memory abstraction and formal reasoning about c systems code requires a memory model that is able to capture the semantics of c pointers and types. At the same time, proof-based verification demands abstraction, in particular from the aliasing and frame problems. In this paper we present a study in the mechanisation of two proof abstractions for pointer program verification in the Isabelle/HOL theorem prover, based on a low-level memory model for c. The language's type system presents challenges for the multiple independent typed heaps (Burstall-Bornat) and separation logic proof techniques. In addition to issues arising from explicit value size/alignment, padding, type-unsafe casts and pointer address arithmetic, structured types such as c's arrays and structs are problematic due to the non-monotonic nature of pointer and lvalue validity in the presence of the unary &-operator. For example, type-safe updates through pointers to fields of a struct break the independence of updates across typed heaps or a (*)-conjuncts. We provide models and rules that are able to cope with these language features and types, eschewing common over-simplifications and utilising expressive shallow embeddings in higher-order logic. Two case studies are provided that demonstrate the applicability of the mechanised models to real-world systems code;a working of the standard in-place list reversal example and an overview of the verification of the L4 microkernel's memory allocator.

关键词： Separation logic c Interactive theorem proving

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