cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/t4xxc2gxsf
title: An effective algorithm for simulating acoustical wave propagation

description: Abstract In this paper, the acoustical wave propagator scheme is implemented in Fortran for predicting sound propagation in a one-dimensional duct. Example calculations are performed for a semi-infinite duct and a duct with a solid blockage. Numerical accuracy of our results is examined and compared with the finite-difference time-domain method. This scheme is found to be highly accurate and computationally effective for describing the time-domain evolution of acoustic waves. Multiple reflections with... Title of program: AWP.f90, v 1.0 Catalogue Id: ADRE_v1_0 Nature of problem In this paper, the acoustical wave propagator scheme is implemented in Fortran for predicting sound propagation in a one-dimensional duct. Example calculations are performed for a semi-infinite duct and a duct with a solid blockage. Numerical accuracy of our results is examined and compared with the finite-difference time-domain method. This scheme is found to be highly accurate and computationally effective for describing the time-domain evolution of acoustic waves. Multiple reflections within ... Versions of this program held in the CPC repository in Mendeley Data ADRE_v1_0; AWP.f90, v 1.0; 10.1016/S0010-4655(02)00700-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8m99437yfn
title: the cyclic voltammograms of the HRP-AuNCs/MWCNTs/CFUME (a), HRP/MWCNTs/CFUME (b), MWCNTs/CFUME (c), HRP-AuNCs/CFUME (d), HRP/CFUME (e) and CFUME (f)

description: A pair of small redox peaks appear in the cyclic voltamogram (CV) of the HRP/MWCNTs/CFUME (b) and MWCNTs/CFUME (c), and the anodic and cathodic peak potentials are located at about 0 V and - 0.1 V, respectively. This is attributed to the reduction and oxidation of carboxylic acid groups at the surface of MWCNTs. These groups were reduced to -CH2OH coupled with four electrons. Moreover, the background current was very large compared with that of bare CFUME (curve e) because of the increased surface charge [16]. A pair of stable and well-defined redox peaks with regard to Fe(III) to Fe(II) conversion of the immobilized HRP were observed on HRP-AuNCs/MWCNTs/CFUME (a). The anodic and cathodic peak potentials were - 0.10 V and - 0.21 V (vs. Ag/AgCl) at 100 mV/s, respectively. The formal potential (Eo’), obtained by averaging the potential values of the anodic and cathodic peaks (Epa and Epc), was - 0.16 V with a peak potential separation of approximately 110 mV, indicating a quasi-reversible process [17] The peak current did not change after 100 cyclic scans. This indicated that the HRP-AuNCs/MWCNTs film on the electrode surface was very stable. HRP/MWCNTs/CFUME (b) did not show a characteristic peak of HRP, which indicates that the AuNCs acting as the molecular electric wire can help to transfer the electron between the active center of the enzyme and the electrode. HRP-AuNCs/CFUME (d) did not show obvious redox peaks, and the current was much lower. This may be because the HRP-AuNCs could barely be absorbed on the bare CFUME without the aid of the MWCNTs. The enlarged interface area and good conductivity of the MWCNTs, which provides many efficient paths for direct electron conduction between the HRP-AuNCs and the CFUME, enhanced the current signals [18].
DOI: 10.17632/mmsm66pb2x
title: GSGPEs: A MATLAB code for computing the ground state of systems of Gross–Pitaevskii equations

description: Abstract GSGPEs is a Matlab/GNU Octave suite of programs for the computation of the ground state of systems of Gross–Pitaevskii equations. It can compute the ground state in the defocusing case, for any number of equations with harmonic or quasi-harmonic trapping potentials, in spatial dimension one, two or three. The computation is based on a spectral decomposition of the solution into Hermite functions and direct minimization of the energy functional through a Newton-like method with an approximate ... Title of program: GSGPEs Catalogue Id: AENT_v1_0 Nature of problem A system of Gross-Pitaevskii Equations (GPEs) is used to mathematically model a Bose-Einstein Condensate (BEC) for a mixture of different interacting atomic species. The equations can be used both to compute the ground state solution (i.e., the stationary order parameter that minimizes the energy functional) and to simulate the dynamics. For particular shapes of the traps, three-dimensional BECs can be also simulated by lower dimensional GPEs. Versions of this program held in the CPC repository in Mendeley Data AENT_v1_0; GSGPEs; 10.1016/j.cpc.2012.10.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/vzdvfptywb
title: Programs for the dynamic simulation of liquids and solids II. MDIONS : Rigid ions using the Ewald sum (vectorised version on the cray-1)

description: Title of program: MDIONS (VECTORISED) Catalogue Id: AARM_v2_0 [AARN] Nature of problem Study of the thermodynamic, structural and dynamic properties of ionic solids or liquids, or mixtures thereof. CORRECTION SUMMARY: Vol:Year:Page 28:1983:323 "000A CORRECTION 09/09/82" "Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum (vectorised version on the CRAY-1). (C.P.C. 25(1982)177)." D. Fincham Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AARM_v1_0; MDIONS; 10.1016/0010-4655(82)90032-7 AARM_v2_0; MDIONS (VECTORISED); 10.1016/0010-4655(82)90033-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/fn2b5dd8j7
title: Library of sophisticated functions for analysis of nuclear spectra

description: Abstract In the paper we present compact library for analysis of nuclear spectra. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. The functions can process one- and two-dimensional spectra. The software described in the paper comprises a number of conventional as well as newly developed methods needed to analyze experimental data. Title of program: SpecAnalysLib 1.1 Catalogue Id: AEDZ_v1_0 Nature of problem The demand for advanced highly effective experimental data analysis functions is enormous. The library package represents one approach to give the physicists the possibility to use the advanced routines simply by calling them from their own programs. SpecAnalysLib is a collection of functions for analysis of one- and two-parameter γ-ray spectra, but they can be used for other types of data as well. The library consists of sophisticated functions for background elimination, smoothing, peak search ... Versions of this program held in the CPC repository in Mendeley Data AEDZ_v1_0; SpecAnalysLib 1.1; 10.1016/j.cpc.2009.04.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zkby4g8c3c
title: Diagrammatic many-body perturbation expansion for atoms and molecules VIII. ccMBPT-4t

description: Abstract A program for calculating the correlation energy components associated with each of the fourth-order diagrams involving triply excited intermediate states in the many-body perturbation theory expansion is presented. The program exhibits a high level of vectorization and parallelism and execution rates of 2.284 Gflops have been reported on the CRAY Y-MP/8128 computer. Title of program: ccMBPT-4t Catalogue Id: ACHN_v1_0 Nature of problem The non-relativistic Schrodinger equation for the electronic structure of atomic and molecular systems is considered within the Born- Oppenheimer approximation. Versions of this program held in the CPC repository in Mendeley Data ACHN_v1_0; ccMBPT-4t; 10.1016/0010-4655(92)90197-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cdnk3gx464
title: Two programs to perform certain symbolic calculations in the enveloping algebra of a lie algebra

description: Title of program: ORDINVAR Catalogue Id: AATP_v1_0 Nature of problem To find explicit expressions (in standard order) for the invariants of a Lie algebra, i.e. for the polynomials in the generators which commute with all generators. An appropriate choice for the Lie algebra basis and for the order of the generators in standard form, leads to algebraic closed formulae for the eigenvalues of the generalized Casimir operators upon highest weight states of irreducible representations. Versions of this program held in the CPC repository in Mendeley Data AATP_v1_0; ORDINVAR; 10.1016/0010-4655(87)90027-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9x4mfjwnkv
title: International C2C Climate Network

description: The following dataset provides actual data of international city-to-city (C2C) climate networks aggregated into country level. It comprises the four identified international C2C climate networks: IUC, C40, World Mayor's Council on Climate Change and ISCI. The data is used to assess topological characteristics of the four international C2C networks including eigenvector centrality and degree centrality, to answer the following research question: who are the mains actors of international C2C climate networks and what are the topological network characteristics of active international C2C climate networks? The data is based on 2019 website updates.
DOI: 10.17632/rfv4ktn863
title: Pharmacological mechanism of anti-tumor of sesquiterpenoids from Inula lineariifolia Turcz based on network pharmacology

description: Additional file 1: Table S1. Targets associated with sesquiterpenoids from IL. Additional file 2: Table S2. Tumor-related targets. Additional file 3: Table S3. PPI Data. Additional file 4: Table S4. The interaction between compounds and tumor-related targets of ILT. Additional file 5: Table S5. The topological parameter of C-T network. Additional file 6: Table S6. The topological parameter of PPI network. Additional file 7: Table S7. The interaction between target and pathway. Additional file 8: Table S8. The topological parameter of T-P network.
DOI: 10.17632/xdbtx5vmmd
title: VSHEC—A program for the automatic spectrum calibration

description: Abstract Calibration is the transformation of the output channels of a measuring device into the physical values (energies, times, angles, etc.). If dealt with manually, it is a labor- and time-consuming procedure even if only a few detectors are used. However, the situation changes appreciably if a calibration of multi-detector systems is required, where the number of registering devices extends to hundreds (Tsyganov et al. (2004) [1]). The calibration is aggravated by the fact that needed pivotal ch... Title of program: VSHEC Catalogue Id: AENN_v1_0 Nature of problem Automatic conversion of detector channels into their energy equivalents. Versions of this program held in the CPC repository in Mendeley Data AENN_v1_0; VSHEC; 10.1016/j.cpc.2012.09.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/rfy4bg3jk6
title: HidSecSOFTSUSY: Incorporating effects from hidden sectors in the numerical computation of the MSSM spectrum

description: Abstract SOFTSUSY is a software designed to solve the RG equations of the MSSM and compute its low energy spectrum. HidSecSOFTSUSY is an extension of the SOFTSUSY package which modifies the beta functions to include contributions from light dynamic fields in the hidden sector. Title of program: HidSecSOFTSUSY Catalogue Id: AEHP_v1_0 Nature of problem Calculating supersymmetric particle spectrum and mixing parameters while incorporating dynamic modes from the hidden sector into the renormalization group equations. The solution to the equations must be consistent with a high-scale boundary condition on supersymmetry breaking parameters, as well as a weak-scale boundary condition on gauge couplings, Yukawa couplings and the Higgs potential parameters. Versions of this program held in the CPC repository in Mendeley Data AEHP_v1_0; HidSecSOFTSUSY; 10.1016/j.cpc.2010.10.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.6084/m9.figshare.28485911
title: <b>Insulin resistance promotes hepatocellular carcinoma progression: mechanisms of HIF1A-mediated lactate production and immune escape</b>

description: There exists a close association between diabetes mellitus and the onset and progression of various malignancies, especially hepatocellular carcinoma (HCC), with insulin resistance (IR) serving as a crucial bridge between diabetes and HCC. However, the specific mechanistic role of IR in HCC remains elusive. This study aims to retrospectively analyze the impact of diabetes on the prognosis of HCC patients, deeply investigate the effects of IR on the biological characteristics of HCC and its underlying mechanisms, and examine the influence and mechanisms of IR-induced excess lactate on macrophage function.
DOI: 10.6084/m9.figshare.28485911.v1
title: <b>Insulin resistance promotes hepatocellular carcinoma progression: mechanisms of HIF1A-mediated lactate production and immune escape</b>

description: There exists a close association between diabetes mellitus and the onset and progression of various malignancies, especially hepatocellular carcinoma (HCC), with insulin resistance (IR) serving as a crucial bridge between diabetes and HCC. However, the specific mechanistic role of IR in HCC remains elusive. This study aims to retrospectively analyze the impact of diabetes on the prognosis of HCC patients, deeply investigate the effects of IR on the biological characteristics of HCC and its underlying mechanisms, and examine the influence and mechanisms of IR-induced excess lactate on macrophage function.
DOI: 10.17632/n3s9f96jwp
title: AESS: Accelerated Exact Stochastic Simulation

description: Abstract The Stochastic Simulation Algorithm (SSA) developed by Gillespie provides a powerful mechanism for exploring the behavior of chemical systems with small species populations or with important noise contributions. Gene circuit simulations for systems biology commonly employ the SSA method, as do ecological applications. This algorithm tends to be computationally expensive, so researchers seek an efficient implementation of SSA. In this program package, the Accelerated Exact Stochastic Simulatio... Title of program: AESS Catalogue Id: AEJW_v1_0 Nature of problem Simulation of chemical systems, particularly with low species populations, can be accurately performed using Gillespie's method of stochastic simulation. Numerous variations on the original stochastic simulation algorithm have been developed, including approaches that produce results with statistics that exactly match the chemical master equation (CME) as well as other approaches that approximate the CME. Versions of this program held in the CPC repository in Mendeley Data AEJW_v1_0; AESS; 10.1016/j.cpc.2011.07.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8h7m89p32r
title: A LONE code for the sparse control of quantum systems

description: Abstract In many applications with quantum spin systems, control functions with a sparse and pulse-shaped structure are often required. These controls can be obtained by solving quantum optimal control problems with ^(L1)-penalized cost functionals. In this paper, the MATLAB package LONE is presented aimed to solving ^(L1)-penalized optimal control problems governed by unitary-operator quantum spin models. This package implements a new strategy that includes a globalized semi-smooth Krylov-Newton ... Title of program: LONE Catalogue Id: AEYV_v1_0 Nature of problem A semi-smooth Newton scheme for solving quantum spin- 12 sparse optimal control problems. Versions of this program held in the CPC repository in Mendeley Data AEYV_v1_0; LONE; 10.1016/j.cpc.2015.10.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/9369258c3s
title: A systematic review of patient reported outcomes following contralateral prophylactic mastectomy for unilateral breast cancer

description: Objective The rate of contralateral prophylactic mastectomy (CPM) in women with early, unilateral cancer is relatively high and is increasing around the world1,2. Women choose this option for many reasons other than reducing their risk of future cancer, including symmetry, reasons related to breast reconstruction and attempting to manage fear of recurrence. This systematic review evaluated patient-reported quality of life outcomes following CPM. Methods A literature search of MEDLINE, PubMed and PsycINFO was performed to February 2019. Abstracts and full-text articles were assessed for eligibility according to pre-determined criteria. Data were extracted into evidence tables for analysis. Results 19 articles met eligibility criteria and were included in analysis. These included patient-reported data from 6088 women undergoing CPM. They reported high levels of satisfaction with the decision for surgery, low levels of decisional regret and high satisfaction with cosmesis and reconstruction. Breast-specific and general quality of life was high overall but was even better in women choosing breast reconstruction after surgery. Fear of cancer recurrence was high after CPM. Depression, distress and a negative impact on body image were evident; however, levels were high in both CPM and non-CPM groups. Conclusions This study provides information that can be used by surgeons and psychologists when counselling women about the potential benefits and harms of CPM. This process must include discussion about the trade-offs such as body image issues and ongoing fear of recurrence in addition to the positive aspect of cancer risk reduction. Women are unlikely to regret their decision for CPM.
DOI: 10.15468/dl.qpffxg
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eritrichium hemisphaericum W.T.Wang",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 9 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000081-250225191816552/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/pmh54g7nxf
title: Do self-affirmation interventions improve wellbeing? A systematic review and meta-analysis

description: Self-affirmation interventions are effective in education and health messages and may have their influence partly by improving wellbeing, but research findings have been mixed. To investigate whether self-affirmations improve wellbeing, a systematic review and meta-analysis was conducted. Six databases and grey literature were searched from commencement until April 2019. This data set includes the search terms for databases, raw data used within the meta-analysis and Revman outputs.
DOI: 10.17632/kdpg8jgpz9
title: Data for: Effects of winter chilling and photoperiod on leaf-out and flowering in a subtropical evergreen broadleaved forest in China

description: Title：Effects of winter chilling and photoperiod on leaf-out and flowering in a subtropical evergreen broadleaved forest in China by Zhuqiu Songa,b, Xiqiang Songc, Yuanqi Pand, Kui Daic, Jiajun Shouc, Qin Chenc, Jiaxin Huangc, Xinran Tangc, Zhongliang Huanga, Yanjun Duc,e*
DOI: 10.17632/pyw3ydkmkd
title: Newton-Everett interpolation of continuous functions

description: Title of program: FINT Catalogue Id: AARS_v1_0 Nature of problem Interpolation needs are deeply rooted in almost all branches of physics because of the uncommonness of analytical solutions and the discrete nature of physical measurements. Versions of this program held in the CPC repository in Mendeley Data AARS_v1_0; FINT; 10.1016/0010-4655(82)90009-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/zh986ppcxd
title: dataset for: Self-assembled peptide nanostructures capable of singlet oxygen generation: properties proven by steady-state and time resolved fluorescence spectroscopy

description: Row data on time-resolved spectroscopy, epifluorescence microscopy and steady-state fluorescence spectroscopy, used intros article.
DOI: 10.17632/3ccpy7hyb3
title: HERACLES: an event generator for ep interactions at HERA energies including radiative processes

description: Abstract A Monte Carlo event generator simulating neutral and charged current ep interactions at HERA energies and beyond is described. The present version 4.0 of the generator optionally treats the ep scattering either by means of structure-function parametrizations or on the basis of parton distribution functions in the framework of the quark-parton model. Single-photon emission from the lepton line as self-energy corrections and the complete set of one loop weak corrections can be included. These c... Title of program: HERACLES V 4.0 Catalogue Id: ACGE_v1_0 Nature of problem A Monte Carlo event generator simulating neutral and charged current ep interactions at HERA energies and beyond is described. The present version 4.0 of the generator optionally treats the ep scattering either by means of structure function parameterizations or on the basis of parton distribution functions in the framework of the quark-parton model. Single photon emission from the lepton line as well as self energy corrections and the complete set of one-loop weak corrections can be included. T ... Versions of this program held in the CPC repository in Mendeley Data ACGE_v1_0; HERACLES V 4.0; 10.1016/0010-4655(92)90136-M This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5ddhtj3vyc
title: A general purpose Monte-Carlo program

description: Abstract Title of program: ERRCAL Catalogue number: AAUP Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Installation: CDC 6600 Data Center CDC, Rijswijk, The Netherlands Burroughs B 6700 Mons University Computing Center Operating system: SCOPE for CDC. MCP for Burroughs Programming language: FORTRAN IV High speed store required: 15000 words (CDC 6600) No. of bits in a word: 60 (CDC 6600) Overlay structure: None No.... Title of program: ERRCAL Catalogue Id: AAUP_v1_0 Nature of problem This problem is designed to estimate the propagation of errors and to simulate simple stochastic processes. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 05/08/75" "Unpublished correction to a general purpose Monte-Carlo program." P. Dufour; J. Schlesinger Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAUP_v1_0; ERRCAL; 10.1016/0010-4655(75)90016-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)