cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/55rdy6fdyc
title: Eucb: A C++ program for molecular dynamics trajectory analysis

description: Abstract Eucb is a standalone program for geometrical analysis of molecular dynamics trajectories of protein systems. The program is written in GNU C++ and it can be installed in any operating system running a C++ compiler. The program performs its analytical tasks based on user supplied keywords. The source code is freely available from http://stavrakoudis.econ.uoi.gr/eucb under LGPL 3 license. Title of program: Eucb Catalogue Id: AEIC_v1_0 Nature of problem Analysis of molecular dynamics trajectories. Versions of this program held in the CPC repository in Mendeley Data AEIC_v1_0; Eucb; 10.1016/j.cpc.2010.11.032 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dc9647j62m
title: Complex zeros of analytic functions

description: Title of program: CRTEST Catalogue Id: AAOO_v1_0 Nature of problem The subroutine CROOT in CRTEST provides a versatile means of locating the zeros (within an annular region of the complex plane) of an analytic function specified by a user-supplied subroutine. CROOT has already been successfully applied in electromagnetic diffraction theory, in plasma astrophysics and in solar energy. Versions of this program held in the CPC repository in Mendeley Data AAOO_v1_0; CRTEST; 10.1016/0010-4655(83)90005-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gcg4ftxj9k
title: Data for: Exploring the chemical space for freeze-drying excipients

description: Table overview over calculated molecular descriptors for freeze-drying excipients. Also contains experimental results:Tg', solid state upon freeze-drying and
DOI: 10.17632/jtjvh9m7zk
title: Catalytically active Cas9 mediates transcriptional interference to facilitate bacterial virulence. Ratner et al.
DOI: 10.17632/tkzj88h5w2
title: A multivariant interpolation routine for a random distribution of data points

description: Abstract We have developed a multivariant interpolation program which interpolates and calculates the derivatives of any function defined on a set of points randomly distributed in a three-dimensional space. Based on the Taylor expansion, the interpolation problem is transformed to find a solution of a linear equation. It is demonstrated that there is no restriction required on the data structure in the present routine and that an ill-condition problem is removed from the process when solving the line... Title of program: INTRP3 Catalogue Id: ACHJ_v1_0 Nature of problem Interpolates and calculates the derivatives of any function defined on a set of points randomly distributed in a three dimensional space. Versions of this program held in the CPC repository in Mendeley Data ACHJ_v1_0; INTRP3; 10.1016/0010-4655(92)90201-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5ty7wmtpdy
title: A non-relativistic SCF atomic program to compute one-electron energies, total energies, and slater integrals

description: Title of program: HERSKLZARE Catalogue Id: AAKG_v1_0 Nature of problem The program HERSKLZARE performs non-spin-polarized nonrelativistic self-consistent field calculations for atoms and ions through use of an approximate exchange potential (a number of different approximations are available to the program). Having calculated central field radial wave functions and eigenvalues, the total energy, I, F, G integrals etc, can be calculated. CORRECTION SUMMARY: Vol:Year:Page 10:1976:434 "000A CORRECTION 5/09/75" "A non-relativistic SCF atomic program to compute one-electron energies, total energies and Slater integrals. (C.P.C. 7(1974)73)." J.H. Wood; M. Boring Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAKG_v1_0; HERSKLZARE; 10.1016/0010-4655(74)90042-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/mr5dz8wx96
title: Calculation of elastic diffuse leed intensities from disordered adsorbates

description: Abstract Title of program: DLEED Catalogue number: AALY Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: CRAY-1S; Installation: University of London Computer Centre Operating system: COS (Cray Operating System) Programming language used: FORTRAN 77 High speed storage required: variable, but about 160 Kwords No. of bits per word: 64 No. of lines in the combined program and test deck: 2607 Title of program: DLEED Catalogue Id: AALY_v1_0 Nature of problem To calculate the diffuse intensity distribution produced by low-energy electrons elastically scattered from an adsorbate randomly adsorbed on locally identical sites on an otherwise clean crystal surface, and (optionally) to derive from this a Y-function characteristic of the local bonding geometry of the adsorbate. Versions of this program held in the CPC repository in Mendeley Data AALY_v1_0; DLEED; 10.1016/0010-4655(86)90008-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4jh38nv3v2
title: The SUMO ligase Su(var)2-10 controls eu- and heterochromatic gene expression via establishment of H3K9 trimethylation and negative feedback regulation

description: Original gel images
DOI: 10.17632/8v4rmrhfw4
title: Integral of a product of three 6-dimensional spherical harmonics

description: Abstract A FORTRAN program is presented for the evaluation of the integral of a product of three 6-dimensional spherical harmonics over the surface of the unit 6-sphere. The functions have a classification according to the chain of groups O(6)⊃S O (2)×SU(3)⊃SO(3)⊃SO(2), introduced originally by Dragt. This scheme provides four quantum numbers plus a multiplicity label, thus giving rise to a non-orthogonal basis for which general analytic expressions are kno... Title of program: HHMTX Catalogue Id: ACHX_v1_0 Nature of problem Approximate eigenvalues and eigenfunctions for a Schrodinger equation H Psi = E Psi may be obtained by diagonalization of a truncated matrix of the intrinsic Hamiltonian H with respect to a complete set of functions depending on the relative vectors. In a system of three interacting bodies the matrix elements involve integrals of a product of two and three Dragt harmonics when the relative vectors are transformed to a set of 6-dimensional spherical coordinates and the harmonics are used as basis ... Versions of this program held in the CPC repository in Mendeley Data ACHX_v1_0; HHMTX; 10.1016/0010-4655(92)90081-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f39726nvxf
title: human values and ecological consciousness in Brazil

description: The objective of this study is to evaluate the influence of human values in the ecological consciousness of consumers. Findings presented results both convergent and divergent with the existing theory about the themes, serving as source to research for new papers related to ecological consciousness, as well as source for researches involving both constructs. This research also provides evaluation of the ecological consciousness scale in the Brazilian context, showing divergent results in relation to the original construction, elucidating the need of new research using the cited scale.
DOI: 10.17632/ymc5ftvrm6
title: Data for: Emotional Semantic Congruency based on stimulus driven comparative judgements

description: Raw Dataset in Excel format of the three experiments reported in the manuscript. Four worksheet are provided: 1) Column Coding: including a full coding description as necessary to interpret the columns of the subsequent Raw Datasets; 2) Experiment 1: including the Raw Dataset of Experiment 1 in which the set of Comparative judgements collected with a direct task in presence of foveation are reported; 3) Experiment 2: including the Raw Dataset of Experiment 2 in which the set of Comparative judgements collected with a direct task in absence of foveation are reported; 4) Experiment 4: including the Raw Dataset of Experiment 3 in which the set of Comparative judgements collected with a indirect task in presence of foveation are reported.
DOI: 10.17632/2x3sjwrf6n
title: Data for: Correlates of maternal glucocorticoid levels in a socially flexible rodent

description: Data used for each model in Pinho et al. Hormones and Behavior (2019)
DOI: 10.17632/65h53xw9vb
title: Program package for calculating matrix elements of two-cluster structures in nuclei

description: Title of program: STOKER Catalogue Id: AAOH_v1_0 Nature of problem In the cluster model, the matrix elements of operators between Slater determinants of cluster structures must be evaluated by symbolic algebra programs because of their length and number. They are the building blocks for the matrix elements between nuclear eigenfunctions of total angular momentum and parity. Therefore the symbolic expressions have to be converted to an equivalent set of numerical data and the latter stored for easy access (by program PRO2C). Versions of this program held in the CPC repository in Mendeley Data aaoh_v1_0; STOKER; 10.1016/0010-4655(82)90052-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kvnjycx2dn
title: MISHA - a system for calculations with arbitrary arithmetic precision

description: Title of program: MISHA Catalogue Id: AAXU_v1_0 Nature of problem In certain applications the standard hardware precision of a computer may be insufficient. The present subroutine package makes it possible to perform calculations with any arithmetic precision, i.e. on any number of decimal digits. Both integer and floating-point arithmetic are included. Versions of this program held in the CPC repository in Mendeley Data AAXU_v1_0; MISHA; 10.1016/0010-4655(87)90120-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6hb3989bb5
title: AMDS: A database system for atomic and molecular physics

description: Title of program: AMDS Catalogue Id: ACCI_v1_0 Nature of problem AMDS (Atomic and Molecular Database System) is a system for the storage and retrieval of numerical data on processes in atomic and molecular physics. The system has been specifically designed to suit the requirements of a physicist by providing the software tools necessary for the storage, manipulation and display of physical data, together with associated uncertainties, references, recommendations and comments. Versions of this program held in the CPC repository in Mendeley Data ACCI_v1_0; AMDS; 10.1016/0010-4655(84)90094-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9jm5r6j96n
title: Data for: Sixty-year quasi-period of the Asian monsoon around the Last Interglacial derived from annually resolved stalagmite evidence

description: Oxygen and carbon isotopic data of stalagmite (YX108) from Yongxing Cave.
DOI: 10.17632/d5cdt28m9f
title: Data for: Multi-mode solid–gas thermochemical resorption heat transformer using NiCl2-SrCl2/NH3
DOI: 10.17632/n3mc96n9zh
title: Computing the atomic rearrangement pathways for pure electron nuclides capture by a five-shell model

description: Abstract We present a program to compute the different pathways of atomic rearrangement which follow the capture of one electron by the nucleus, as well as their probabilities. We consider a KL1L2L3M five-shell model although the structure of the program is essentially the same for other five-shell models like the KLMND model. Title of program: PATHS5 Catalogue Id: ADKB_v1_0 Nature of problem The computation of the liquid scintillation counting efficiency for electron capture nuclides requires the determination of the atomic pathways that follows the capture of one electron by the nucleus (see [1]). A KLM three-shell model involves only 22 pathways which can be easily computed by hand. However, the complexity of determining the rearrangement pathways highly increases when more shells are considered in the model. We propose an algorithm to compute these pathways for a five-shell model ... Versions of this program held in the CPC repository in Mendeley Data ADKB_v1_0; PATHS5; 10.1016/S0010-4655(99)00189-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/xyjtgmzbp5
title: Dietary manganese requirement and its effects on antioxidant enzyme activities, intestinal morphology and microbiota in oriental river prawn Macrobrachium nipponense (De Haan)

description: Manganese (Mn) is an essential micronutrient for animals. An 8-week feeding experiment with oriental river prawn Macrobrachium nipponense was conducted to determine the effects of Mn supplementation on growth, antioxidative indices, intestinal morphology, and gut microbiota in juveniles of this species. Manganese sulfate monohydrate was added to a basal semi-purified diet at six levels: 5.4, 13, 22, 34, 73 and 150 mg Mn kg-1 diet. Each diet was fed to juvenile prawns (mean weight 0.104 ± 0.003 g), twice daily to apparent satiation, in four replicates. Prawns fed the 22 mg Mn kg-1 diet achieved the highest weight gain. The Mn concentration in muscle significantly increased with increased dietary Mn supplementation, from 5.4 to 22 mg kg-1 diet, but leveled off in animals fed greater levels. Prawns fed the 34 mg Mn kg-1 diet had the lowest malondialdehyde content. Total superoxide dismutase activity in the hepatopancreas increased significantly with an increasing level of dietary Mn in the groups fed the 5.4 to 73 mg kg-1 diets, but plateaued with higher levels of supplementation. Prawns fed the 13 to 150 mg Mn kg-1 diets had significantly higher Mn superoxide dismutase activity than those fed the 5.4 mg kg-1 diet. Epithelial cells of the intestine were closely arranged, with clear cell definition, in the groups fed the 5.4 or 22 mg Mn kg-1 diet, whereas these cells were completely separated from the basement membrane in prawns fed the 150 mg Mn kg-1 diet. The estimator of community richness (Chao) in the intestine was significantly higher for prawns fed the 22 mg Mn kg-1 diet as compared with animals fed the 5.4 and 150 mg Mn kg-1 diets. The dominant phyla in the gut of M. nipponense were Proteobacteria, followed by Firmicutes and Bacteroidetes, regardless of the level of Mn supplementation. The intestinal microbiota phylotypes significantly differed among the groups fed the 5.4, 22 and 150 mg Mn kg-1 diets. We conclude that Mn supplementation in formulated feeds for this species can improve growth performance and Mn deposition in muscle, whereas diets causing Mn deficiency or excess will induce oxidant stress, and very high levels of dietary Mn could damage the intestinal morphology. The intestinal core microbiota were not affected by the dietary Mn level, although the microbiota richness was somewhat affected. Based on weight gain, the optimal level of Mn supplementation for juvenile M. nipponense is 17.59 mg kg-1 diet.
DOI: 10.17632/6bv4ysph7k
title: A program for normalised Morse functions

description: Title of program: MORSEFNS Catalogue Id: AAGM_v1_0 Nature of problem To produce the normalised eigenfunctions of the Schrodinger equation with the Morse potential. Versions of this program held in the CPC repository in Mendeley Data AAGM_v1_0; MORSEFNS; 10.1016/0010-4655(72)90017-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9fgg567fxw
title: JETS: A program for jet analysis of high-energy collision events

description: Title of program: JETS Catalogue Id: ACCS_v1_0 Nature of problem Analysis of the jet structure of high energy collision events. Versions of this program held in the CPC repository in Mendeley Data ACCS_v1_0; JETS; 10.1016/0010-4655(84)90165-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6nccszrtt6
title: Application source code for: Assessment of the accuracy of several methods for measuring the spatial attitude of geological bodies using an Android smartphone

description: This is the application source code of SensorDataGetter.
DOI: 10.17632/2ddb6m5kfp
title: The drying Kinetics of microalgae using hot-air Oven dryer and direct Sunlight.

description: The kinetics from micro- algae Chlorella Sp.,as well as Oven and sun drying of the algae to establish the drying rate, moisture ratio and moisture content were carried out using the twelve modeling kinetics that best fit into the experimental data. The microalgae having an initial moisture content of 5.00 kg water/kg dry matter average moisture content were dried to final moisture contents of 1.03 kg water/kg dry matter (moisture content reached when two consecutive weight readings were constant during drying) in convective dryer using different air temperatures of 30, 40, 50, 60, 70 and 80oC and direct drying from the sun at 37.2 o C with a final moisture content of 1.49kg water/kg dry matter. ...
DOI: 10.17632/4ct56cxx8r
title: A new version of the program to compute the fractional parentage coefficients for equivalent d shell electrons

description: Title of program: A NEW D SHELL CFP Catalogue Id: ACQC_v2_0 [ACRN] Nature of problem This is a new version of the program by Allison (CPC 1(1969)15). The program has been changed to conform with ANSI Fortran and to use a Block Data Subprogram for the data. The changes are as follows: (1) The integer constant referring to the channel number in the WRITE statements in the directing program has been replaced by an integer variable which is transmitted to subprogram CFPD in the COMMON block INFORM. (2) Some non-standard Fortran statements have been replaced in the directing program. ... Versions of this program held in the CPC repository in Mendeley Data ACQC_v2_0; A NEW D SHELL CFP; 10.1016/0010-4655(73)90054-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7tdmgyrvg8
title: Data for: Tropical and Extratropical General Circulation with a Meridional Reversed Temperature Gradient as Expected in a High Obliquity Planet

description: Climatological fields for the Held-Suarez experiment with a) normal meridioinal temperautre gradient. All_HS.nc b) normal meridional temperature gradient and global uniform stratification. All_HS_S5.nc c) normal meridional temperature gradient under eddy-free setup. All_HS_trm1.nc d) normal meridional temperature gradient with seasonal cycle. annual mean: All_HS_season.nc. DJF: All_DJF_HS_season.nc h) normal meridional temperature gradient with the seasonal cycle under eddy-free setup. DJF: All_DJF_HS_season_trm1.nc e) reversed meridional temperature gradient. All_HotPole_ColdEQ.nc f) reversed meridional temperature gradient and global uniform stratification. All_HotPole_ColdEQ_S5.nc g) reversed meridional temperature gradient under eddy-free setup. All_HotPole_ColdEQ_trm1.nc h) reversed meridional temperature gradient with the seasonal cycle. annual mean: All_HotPole_ColdEQ_season.nc. DJF: All_DJF_HotPole_ColdEQ_season.nc h) reversed meridional temperature gradient with the seasonal cycle under eddy-free setup. DJF: All_DJF_HotPole_ColdEQ_season_trm1.nc Matlab code used to do all the calculations: a) Uprof.m: plotting the U, N2, S vertical profiles in Held Suarez models and the analytical form used in Eady model (Fig. S1) b) drive_hadley.m, drive_hadley_momentumonly.m, drive_hadley_temperatureonly.m: budget analysis to identify the driver of Hadley cells. (Fig. 2, Fig. 8) c) wave_structure_k.m: diagnose baroclinic eddy structure in Held Suarez model (Fig. 5) d) PV_y.m: check baroclinic unstable necessary condition (not shown) Generalized Eady model outputs: a) Normal case fields: eady9d_k7_normTy_output.dat. Normal case growth rate: eady9d_k7_normTy_growthrate.dat b) Reversed case fields: eady9d_k7_revTy_output.dat. Reversed case growth rate: eady9d_k7_revTy_growthrate.dat
DOI: 10.17632/8rxnzzbz6f
title: Data for: Comprehensive Review of Current Natural Gas Liquefaction Processes on Technical and Economic Performance

description: Technical and Economic Performance of Current Natural Gas Liquefaction Processes
DOI: 10.17632/sz2z8gw8sz
title: L1Packv2: A Mathematica package for minimizing an ℓ 1 -penalized functional

description: Abstract L1Packv2 is a Mathematica package that contains a number of algorithms that can be used for the minimization of an ℓ_1 -penalized least squares functional. The algorithms can handle a mix of penalized and unpenalized variables. Several instructive examples are given. Also, an implementation that yields an exact output whenever exact data are given is provided. Title of program: L1Packv2.m Catalogue Id: AEBP_v1_0 Nature of problem Minimization of L 1 -penalized least squares functionals Versions of this program held in the CPC repository in Mendeley Data AEBP_v1_0; L1Packv2.m; 10.1016/j.cpc.2008.07.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/895t4bjv6g
title: Data for: Gender aspects in co-creation oriented and traditional businesses

description: In this set of data we are showing some metrics used to assess the co-creation attitude and the gender balance of businesses. The co-creation metrics are based on data collected by using business intelligence tool aimed to count the occurrences of regular expressions on websites and corporate documents. The gender balance metric is assessed by comparing the number of men and women in the businesses’ board of directors. For each file, each row corresponds to a given company (whose web-site is reported in column AD). For each company we are reporting * the relative occurrence of the co-creation associated keywords reported in columns C-Z * data used to assess the gender balance in the businesses board of directors, in columns AA-AC We are reporting these metrics for firms belonging to three different samples: the first is composed of companies listed on the FTSE; the second is composed of companies listed on the NASDAQ; the third is composed of companies engaged in OSS projects that were found in reviewed value co-creation literature. Data are useful to decision-makes, local and national authorities, gender experts and researchers about innovation and co-creation.
DOI: 10.25919/5m36-3f80
title: Parkes observations for project PX500 semester 2024OCTS_14

description: This proposal relates to time purchased by the Chinese Academy of Sciences for Parkes follow-up confirmation and timing of FAST discoveries. As the observing time has been purchased this proposal (and the related PX501) does not require TAC grading. The primary reason for submitting a proposal is to ensure an outreach statement and that the proposal is entered into OPAL for the data archive to access. The Chinese team have two time requests. The time scheduled for the first, relating to this proposal, will be allocated in blocks of 24 hours and the data will become available in the data archive with an 18 month embargo period. The second type of time will be scheduled in shorter blocks and the data archived with a 10 year embargo.
DOI: 10.17632/6jxp3zwmyz
title: Data for: Strategies to minimize the influence of instrumental bias in neutron scattering

description: Time of flight data recorded BL-4A at SNS ORNL.