cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Perceptions of the ‘good farmer’ and social licence to operate in Aotearoa New Zealand
Creators: name: Booth, Pamela L.
name: Espig, Martin
name: Kirk, Nicholas
name: Sinner, Jim
name: Campbell, Hugh
name: Edwards, Peter
name: Kannemeyer, Robyn
name: Dear, Chloe
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Neuroscience
subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Mental Health

description: Over the past 50 years, farming practices and public perceptions of farming in Aotearoa New Zealand (AoNZ) have changed substantially. These changes raise questions over the future relationship between farming communities and the public. Recent research challenges the assumption that perceptions of farming differ significantly between farmers and the public. Using two recent surveys in AoNZ, we apply the social licence to operate concept using the ‘good farmer’ as a foundation. We find perceptions of ‘good farming’ practices held by the public and farmers are relatively aligned, but these groups may have different interpretations despite core messages aligning. Farmers were trusted as a source of information more than mainstream media by both groups. Increasing alignment of ‘good farmer’ perceptions between the groups can lead to an increase in perceived trustworthiness of farmers as an information source by the public. Our findings contribute to the emerging body of literature showing the perceived ‘rural/urban divide’ may not be as large as believed. These insights extend the literature by finding strong alignment of perceptions and nuanced interpretations of good farming practices by the public and farmers. Further investigation can contribute to constructive societal conversations about agriculture’s social licence in AoNZ.
Freiheit durch Vernunft? Ordnung und Ziel der menschlichen Gesellschaft nach Johann Gottlieb Fichte
Creators: name: Inhoffen, Peter
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Freiheit; Vernunft; Ordnung; Gesellschaft; Fichte, Johann Gottlieb; Staat; Idealismus

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 28 (1987): Jahrbuch für Christliche Sozialwissenschaften 28 (1987)
Tugend und Strukturveränderung
Creators: name: Wils, Jean-Pierre
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Tugend; Struktur; Vernunft; Mythos; Normativität; Verfahren; Begründung; Prozeduralität; Anarchie; Kontextualität; Aristoteles; Hermeneutik; Sprachspiel; Innovation; Lebenswelt; Postmoderne; Exemplarität; Soziologie; Rationalismus; Systemtheorie

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 30 (1989): Das Verhältnis von sozial-gesellschaftlicher und individual-zwischenmenschlicher Ethik
E01661: Greek building inscription for a martyr shrine (martyrion), found near South Church at Suganeh in the Limestone Massif/Jabal Sem'ān (north Syria, between Antioch on the Orontes and Beroia/Aleppo). Dated 515 or 516.
Creators: name: Pnowakowski
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: + ἐτελιώθη τὸ μαρ-
 τύρεν τοῦτο μ(ηνὸς) Αὐδυ-
 νέου ·ς΄·, ἰνδ(ικτιῶνος) θ΄, τοῦ γξφ΄
 ἔτου. ἐπὶ τοῦ μεγάλο-
 ̣πρ(επεστάτου) Θαυμᾶ κληρούχο
 διὰ ἐπιστασίας Σεργίου Α
καὶ Στεφάνου πρεσβ(υτέρου) ̣κ̣α[ὶ - - -]⸀ΔΓ̣I[- - -]

1. + omiserunt Jarry, card || 2. μ(ηνὶ) Donceel-Voûte || 3. ·𐅃· squeeze, photograph, ς Donceel-Voûte, γ΄ Jarry, γ΄ omisit card || 3-4. ἰνδ(ικτιῶνος) Θ τοῦ | ΓΞΦ ἔτου(ς) Donceel-Voûte || 4. μεγάλο Donceel-Voûte, μεγὰν Jarry, ΜΕΓΑΝ card || 5. ̣ΠΡΘΑΥΜΑ squeeze, photograph: Π damaged or corrected, πρ(ώτου) Θαύμα Donceel-Voûte, Βρθαῦμα Jarry, ΒΑΡ ΘΑΥΜΑ card || κληρούχο Donceel-Voûte, κληρούχο Jarry, ΚΛΗΡΟΥΧΟ card || 6. διὰ ἐπιστασίας Donceel-Voûte, διὰ ἐπιστασία Jarry, ΔΙΑ ΕΠΙCΤΑCΙΑ card || Σεργίου Α Donceel-Voûte, [- - -] Jarry, card || 7. possibly κ[αὶ οἰκ]οδ̣ό̣μ[ου] or κ[αὶ Θε]οδό̣ρ[ου], καὶ Στεφάνου πρεσβυ(τέρων)... Donceel-Voûte, καὶ Στεφάνου πρεσβ. ̣κ[αὶ ... ΘΔ ... Jarry, ΚΑΙ CΤΕΦΑΝΟΥ ΠΡΕCΒ Κ[ΑΙ _ _ ΟΔ card

'+ This martyr shrine (martyrion) was completed on the 6th (day) of the month of Audynaios, the 9th indiction, the year 563, under Thauma (?) of megaloprepestatos rank, landowner (klerouchos), through the supervision of Sergios (?) and Stephanos the presbyter (or: the presbyters) and [- - -].'

Text: SEG 40, 1570, with lightly altered readings in lines 6-7, based on the examination of a photograph of the squeeze and a card with a transcription from the Tchalenko Archive (housed at the School of Archaeology at the University of Oxford).
ALMA Cycle 9 Proposer's Guide
Creators: name: Privon, George
name: Nagai, Hiroshi
name: Rebolledo, David
name: Díaz Trigo, M
Publisher: name: Zenodo
Year: 2022

description: Proposer's Guide for the Atacama Large Millimeter/Submillimeter Array (ALMA) Cycle 9, Doc. 9.2, ver. 1.4
sj-pdf-1-aph-10.1177_1010539520977304 – Supplemental material for Psychological and Livelihood Impacts of COVID-19 on Bangladeshi Lower Income People
Creators: name: Paul, Alak
name: Nath, Tapan Kumar
name: Janardan Mahanta
name: Naznin Nahar Sultana
name: A. S. M. Imrul Kayes
name: Noon, Sharifa Jahan
name: Md. Akib Jabed
name: Sumana Podder
name: Sujat Paul
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 111799 Public Health and Health Services not elsewhere classified
subject: FOS: Health sciences

description: Supplemental material, sj-pdf-1-aph-10.1177_1010539520977304 for Psychological and Livelihood Impacts of COVID-19 on Bangladeshi Lower Income People by Alak Paul, Tapan Kumar Nath, Janardan Mahanta, Naznin Nahar Sultana, A. S. M. Imrul Kayes, Sharifa Jahan Noon, Md. Akib Jabed, Sumana Podder and Sujat Paul in Asia Pacific Journal of Public Health
Identität und Fremdheit. Sozialpsychologische Aspekte der Eingliederung und Ausgliederung des Fremden
Creators: name: Schäfer, Bernd
name: Schlöder, Bernd
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Identität; Fremdheit; Inklusion; Exklusion; Migration; Gewalt; Kriminalität; Deutschland; Westdeutschland; Personalität; Traditon; Minderheit; Ausländer; Stigmatisierung; Akzeptanz; Vorurteil; Heterogenität

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 35 (1994): Flucht – Asyl – Migration
ALMA Cycle 10 Proposer's Guide
Creators: name: Privon, George
name: Rebolledo, David
name: Popping, Gergö
name: Izumi, Takuma
Publisher: name: Zenodo
Year: 2023

description: Proposer's Guide for the Atacama Large Millimeter/Submillimeter Array (ALMA) Cycle 10, Doc. 10.2, ver. 1.0
Automating advocacy: creating local alcohol harm risk profiles to assist community input into alcohol license applications
Creators: name: Colbert, Jessie
name: Young, Nick
name: Exeter, Daniel J.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified

description: The physical (spatial) and temporal availability of alcohol is a key determinant of alcohol use and harm. Community input into local alcohol licensing decisions is vital and may be supported by online tools that provide information on alcohol harm risk for local areas. We developed an online tool to provide data on area-level factors (deprivation and ethnic composition) shown to increase a community's risk of alcohol-related harm from the surrounding density and proximity of licensed premises. Data were derived using the Index of Multiple Deprivation (IMD18), the New Zealand Index of Deprivation (NZDep18), and the New Zealand Census 2018. In addition, we mapped proximity to sensitive sites (schools, hospitals and Marae [Māori meeting grounds]) and existing licensed alcohol premises. In this paper, we demonstrate the development and use of our automated alcohol reporting tool that integrates numerous secondary data sources related to alchohol-related risks in the community within a 1 and 2 km radius (buffer) of an address seeking an alcohol off-license. Online tools leveraging geospatial data may assist community-based organisations to actively participate in local alcohol licensing decision processes using a robust evidence-base and support efforts to ensure that the impact of licensing decisions on equity is explicitly considered.
E01662: The Latin Martyrdom of *Irenaeus of Sirmium (martyr S00695), probably of the late 4th c., recounts the martyrdom of a young bishop on 6 April 304. Probably written in Sirmium (middle Danube).
Creators: name: Erizos
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Martyrdom of Irenaeus of Sirmium (Latin version: BHL 4466)

Summary

(1) Under Diocletian and Maximian, a persecution of Christians occurs and Irenaeus, bishop of Sirmium, is arrested. (2) He is presented to the provincial governor of Pannonia, Probus, who demands that he sacrifice according to the imperial decrees, but he refuses to. (3) Irenaeus’ relatives, children, and wife come and implore him to change his mind, but he remains steadfast. (4) At midnight, Irenaeus is presented again to Probus and his tribunal, who orders him to sacrifice, but Irenaeus again refuses. He is beaten with clubs, but the martyr still refuses to worship gods made by human hands. Probus advises him to spare himself from death, but Irenaeus regards it as passage to eternal life. The governor then asks him about his relatives, but the bishop replies that he has no relatives, and that, according to Christ’s commandment, those who love their relatives more than him are not worthy of him (Matthew 10:37). Probus admonishes him to sacrifice for the sake of his children, but Irenaeus says that God will take care of them. The governor condemns the martyr to be thrown into the river, but the martyr replies that he had expected multiple torments and death by the sword. (5) Probus orders Irenaeus’s execution by the sword, and the martyr gives thanks to God. He is taken to a bridge of the river Savus, called pons Basentis, where he takes off his clothes and says his last prayer, offering his spirit on behalf of the people and the Catholic Church, and requesting that the people be confirmed in the faith. He is decapitated and thrown into the river. (6) His martyrdom took place on 6 April, under Diocletian and Maximian.

Text: Musurillo 1972.
Summary: Efthymios Rizos.
ALMA Cycle 12 Proposer's Guide
Creators: name: Privon, George
name: Cerrigone, Luciano
name: Corvillon, Andrea
name: Kawamura, Akiko
name: Popping, Gergö
name: Rebolledo, David
Publisher: name: Zenodo
Year: 2025

description: Proposer's Guide for the Atacama Large Millimeter/Submillimeter Array (ALMA) Cycle 12, Doc. 12.2, ver. 1.0
»Fremde sind wir ... « Zur Wahrnehmung des Fremdseins und zur Sorge für die Fremden in alttestamentlicher Perspektive
Creators: name: Steins, Georg
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Fremdheit; Bibel; Testament; Flüchtling; Asyl; Gesetz; Ausländer; Unterdrückung; Ausbeutung; Israel; Gerechtigkeit; Gott; Wirtschaft; Befreiung; Integration; Identität

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 35 (1994): Flucht – Asyl – Migration
Additional file 9 of Basic helix-loop-helix (bHLH) gene family in rye (Secale cereale L.): genome-wide identification, phylogeny, evolutionary expansion and expression analyses
Creators: name: Chen, Xingyu
name: Yao, Caimei
name: Liu, Jiahao
name: Liu, Jintao
name: Fang, Jingmei
name: Deng, Hong
name: Yao, Qian
name: Kang, Tairan
name: Guo, Xiaoqiang
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Plant Biology

description: Supplementary Material 9: Figure S1–S6 in this study
sj-docx-3-uro-10.1177_2051415820974267 – Supplemental material for Urology trainee perceptions of curriculum checkpoints and challenges to achieving a Certificate of Completion of Training: Results of a national survey
Creators: name: NJ Harvey
name: DG Ross
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 111708 Health and Community Services
subject: FOS: Health sciences
subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: FOS: Clinical medicine
subject: 111799 Public Health and Health Services not elsewhere classified

description: Supplemental material, sj-docx-3-uro-10.1177_2051415820974267 for Urology trainee perceptions of curriculum checkpoints and challenges to achieving a Certificate of Completion of Training: Results of a national survey by NJ Harvey and DG Ross in Journal of Clinical Urology
Menschenrechtliche Aspekte der Diskussion um das Asylrecht: Gnadenrecht der souveränen Staaten oder individuelles Menschenrecht der politisch Verfolgten?
Creators: name: Tremmel, Hans
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Recht; Menschenrecht; Asyl; Verfolgung; Staat; Migration; Gerechtigkeit; Flucht; Krise; Subjekt; Religion; Utilitarismus; Politik; Schutz; Gnade; Kirche; Völkerrecht; Verfassung; Grundgesetz; Gleichheit; Freiheit; Armut; Deutschland; Souveranität

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 35 (1994): Flucht – Asyl – Migration
Supplemental Material, Appendix - Association of Angiotensin-Converting Enzyme Inhibitors and Angiotensin II Blockers With Severity of COVID-19: A Multicenter, Prospective Study
Creators: name: Hakeam A. Hakeam
name: Muhannad Alsemari
name: Duhailib, Zainab Al
name: Ghonem, Leen
name: Alharbi, Saad A.
name: Eid Almutairy
name: Sheraim, Nader M. Bin
name: Meshal Alsalhi
name: Alhijji, Ali
name: AlQahtani, Sara
name: Khalid, Mohammed
name: Barry, Mazin
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: Cardiology
subject: 110306 Endocrinology
subject: FOS: Clinical medicine
subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: 110203 Respiratory Diseases
subject: 110323 Surgery

description: Supplemental Material, Appendix for Association of Angiotensin-Converting Enzyme Inhibitors and Angiotensin II Blockers With Severity of COVID-19: A Multicenter, Prospective Study by Hakeam A. Hakeam, Muhannad Alsemari, Zainab Al Duhailib, Leen Ghonem, Saad A. Alharbi, Eid Almutairy, Nader M. Bin Sheraim, Meshal Alsalhi, Ali Alhijji, Sara AlQahtani, Mohammed Khalid and Mazin Barry in Journal of Cardiovascular Pharmacology and Therapeutics
E01663: Greek version of the Martyrdom of *Irenaeus of Sirmium (martyr, S00695), of an uncertain date in the 4th-9th c., recounts the martyrdom of the young bishop of Sirmium (middle Danube) on 21 August.
Creators: name: Erizos
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Martyrdom of Irenaeus of Sirmium (Greek version: BHG 948)

Cf. the Latin version in E01662

Summary

(1) Under Diocletian, Maximian, and Constantius, a persecution of Christians occurs and Irenaeus, the young bishop of Sirmium, is arrested. (2) Irenaeus’ children, parents, wife, and relatives implore him to change his mind, but he remains steadfast. (3) He is presented to the provincial governor of Pannonia, Probus, who demands that he sacrifice according to the imperial decrees, but he refuses to. He is incarcerated for several days, and is presented again to Probus, who presides over the trial at midnight. Irenaeus is tortured, but always refuses to sacrifice. Probus advises him to spare himself from death, but Irenaeus prefers eternal life. The governor then asks him about his relatives, but the bishop replies that he has no relatives, according to Christ’s commandment that those who love their relatives more than him are not worthy of him (Matthew 10:37). (4) Probus admonishes him to sacrifice for the sake of his children, but Irenaeus says that God will take care of them. The governor condemns the martyr to be thrown into the river, but the martyr replies that he had expected to be put to death by the sword. (5) Probus orders Irenaeus’s execution by the sword, and the martyr gives thanks to God. He is taken to the bridge of Artemis over the river Savus, where he addresses his last prayer, offering his spirit on behalf of the people and the Catholic Church, and requesting that the people be confirmed in the faith. He is decapitated and thrown into the river. (6) His martyrdom took place on 21 August, under Probus.

Text: Acta Sanctorum Mart. III, d. 25, 23A.
Summary: Efthymios Rizos.
An overview of environmental labelling and claims on fish and seafood products in New Zealand supermarkets
Creators: name: Le Folcalvez, Xua^n
name: Skeaff, Sheila
name: Bradbury, Kathryn E.
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Environmental Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Science Policy

description: The environmental impact of consuming seafood is receiving increasing attention. However, in New Zealand, environmental claims on food products are not regulated in the Food Standards Code. The objective of this study is to describe labelling practices, including environmental claims, on fish and other seafood products available in New Zealand. In total, 369 fish and seafood products from 2022 were analysed from Nutritrack – a database of food products available from major New Zealand supermarkets. For each product, labelling information, as well as the number and type of environmental claims were extracted from archived photographs of all sides of the product packages. Self-declared environmental claims were evaluated against the International Organization for Standardization (ISO) 14021:2016 standard for environmental claims. About half (48.4%) of the products did not state the harvest location, 8.7% did not state the processing location and 92.6% did not state the harvest method. We identified 33 distinct self-declared environmental claims displayed on a total of 152 packaged seafood products, with 78.8% classified as unclear, and therefore in breach of the ISO standard. This study suggests that stronger regulation around seafood labelling is needed in New Zealand, to provide consumers transparent, accurate and substantiated information.
Gerechtigkeitstheorien: Normative Grundlagen und exemplarische Anwendung am Beispiel des Nord-Süd-Konfliktes. Bericht über die vierte Tagung des »Forum Sozialethik«
Creators: name: Vogt, Markus
name: Habisch, André
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 35 (1994): Flucht – Asyl – Migration
Supplemental Material, Bhatia-supplement-final - Changes in Gender Stereotypes Over Time: A Computational Analysis
Creators: name: Nazlı Bhatia
name: Sudeep Bhatia
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: Gender studies
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental Material, Bhatia-supplement-final for Changes in Gender Stereotypes Over Time: A Computational Analysis by Nazlı Bhatia and Sudeep Bhatia in Psychology of Women Quarterly
E01664: The short Life of *Agatho (bishop of Rome, ob. 681, 00872) in the Liber Pontificalis, written in Latin in Rome soon after his death, mentions his offerings at the churches of the Apostles, presumably the basilcas of *Peter (S00036) and of *Paul (S00008), and at the church of *Mary (Mother of Christ, S00033) 'at the Crib', and his burial at St Peter's on 10 January.
Creators: name: Bryan
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Liber Pontificalis 81

Agatho, natione Sicula, sedit ann. II mens. VI dies IIII. Tantum benignus et mansuetus fuit, ut etiam omnibus hilaris et iocundus conprobaretur.

'Agatho, born in Sicily, held the see 2 years 6 months 4 days. So kind and gentle was he that everyone attested him to be cheerful and pleasant.'

......

Clerum videlicet diversis ordinibus super quod conpetebat honoribus ampliavit.

'He lavishly honoured the clergy of various ranks with preferments.'

.....

Hic demisit omni clero rogam unam et ad luminaria Apostolorum et sancte Mariae ad Praesepe sol. IICLX.

'He left one stipend (rogam unam) to all the clergy, and to provide for the lights of the Apostles and of saint Mary at the Crib, 2160 solidi.'

.....

Qui etiam sepultus est ad beatum Petrum apostolum, IIII id. Ianuar.

'He was buried at the blessed Peter the apostle on the 4th day before the Ides of January [10 January].'

Text: Duchesne 1886, 350 and 355. Translation: Davis 2010, 72-76, lightly modified.
(Tinotus) Sharp 1883
Creators: name: Ferreira, Raul Nascimento
Publisher: name: Zenodo
Year: 2021
Subjects: Biodiversity
Taxonomy

description: Subgénero Tinotus Sharp, 1883
  Aleochara (Tinotus) morion Gravenhorst, 1802
description: Published as part of Ferreira, Raul Nascimento, 2021, Novos dados para o conhecimento dos Aleocharini Fleming, 1821 (Coleoptera: Staphylinidae: Aleocharinae) portugueses, pp. 69-78 in Arquivos Entomolóxicos 2 on page 78, DOI: 10.5281/zenodo.13314626
Effect of the pyrolysis conditions and type of feedstock on nanobiochars obtained as a result of ball milling
Creators: name: Raczkiewicz, Monika
name: Ostolska, Iwona
name: Ondřej, Masek
name: Oleszczuk, Patryk
Publisher: name: Zenodo
Year: 2024
Subjects: subject: Environmental sciences
subject: feedstock
subject: pyrolysis
subject: nanobiochar
subject: biochar

description: Currently, the production of nanobiochar (n-BC) using ball milling is a promising and cost-effective method. Studies concerning the physicochemical properties of bulk biochar (b-BC) in relation to pyrolysis temperature, various feedstocks or types of carrier gas have been thoroughly investigated. However, there is a lack of information on how the mentioned conditions determine the properties of the obtained n-BCs. In this study, b-BCs produced from different feedstocks (willow (WL), sewage sludge (SSL), rice husk (RH) and oilseed rape (OSR)), temperatures (450-750 °C) and carrier gases (N2 or CO2) were ball-milled to produce n-BCs. The specific surface area (SBET), elemental composition (C, H, N, O), morphology (SEM), functional groups (FTIR), and crystalline and amorphous nature of the carbon (RAMAN) were determined. The size of n-BCs depended on the feedstock used (particles ranged from 30 to 87.9 nm). The type of feedstock mostly determined the properties of n-BCs. The most visible differences between n-BCs and b-BCs were observed for surface properties and C content. For all n-BCs, an SBET increase was observed after ball milling, which may enhance the adsorption potential of biochars. Other physicochemical properties were also mainly dependent on the feedstock used for biochar production.
Additional file 2 of Antibiotic-induced gut microbiota dysbiosis has a functional impact on purine metabolism
Creators: name: Liu, Xin
name: Ke, Leyong
name: Lei, Ke
name: Yu, Qian
name: Zhang, Wenqing
name: Li, Changgui
name: Tian, Zibin
Publisher: name: figshare
Year: 2024
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences

description: Supplementary Material 2
Additional file 1 of Low-molecular-weight heparin for the prevention of preeclampsia in high-risk pregnancies without thrombophilia: a systematic review and meta-analysis
Creators: name: Chen, Jiahui
name: Huai, Jing
name: Yang, Huixia
Publisher: name: figshare
Year: 2024
Subjects: Medicine
Cell Biology
Biotechnology
Mathematical Sciences not elsewhere classified
Developmental Biology
Cancer
Computational Biology

description: Supplementary Material 1: Methodological Quality Assessment
E01667: Greek translation, of the 4th/9th c., of the Latin Martyrdom of *Perpetua and her Companions (martyrs of Carthage, S00009).
Creators: name: Erizos
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Martyrdom of Perpetua and her Companions - Greek version (BHG 1482)

The text is a translation of a version of the text of the Latin Martyrdom of Perpetua and Felicitas (on which see $E01666). Its only differentiation is an introductory note dating the martyrdom to the reign of Valerian and Gallienus (253-260), rather than of Geta (198-209), and indicating its date as the fourth before the Nones of February (= 2 February) in the title, and on the Nones of February (= 5 February) in the text.
Supplemental Material, Supplemental_Table_November_2020 - The association between romantic competence and couple support behaviors in emerging adult couples
Creators: name: Jiaqi Zhou
name: Bhatia, Vickie
name: Luginbuehl, Tamara
name: Davila, Joanne
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 200199 Communication and Media Studies not elsewhere classified
subject: FOS: Media and communications
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology

description: Supplemental Material, Supplemental_Table_November_2020 for The association between romantic competence and couple support behaviors in emerging adult couples by Jiaqi Zhou, Vickie Bhatia, Tamara Luginbuehl and Joanne Davila in Journal of Social and Personal Relationships
Additional file 1 of Revisiting the predictability of follicular fluid leptin and related adiposity measures for live birth in women scheduled for ICSI cycles: a prospective cohort study
Creators: name: Abdelmagied, A.
name: Makhlouf, Alaa A.
name: Abdel-Aleem, Ahmed A.
name: Mohamed, Safwat A.
name: Nasr, Ahmed
name: Elfadl, Azza Abo
name: Ali, Mohammed K.
Publisher: name: figshare
Year: 2024
Subjects: subject: Biophysics
subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Cancer
subject: Computational Biology
subject: Cardiology

description: Additional file 1: Supplementary Table S1. Baseline characteristics and adiposity measures of the study groups based on waist circumference. Supplementary Table S2. Cycle characteristics and outcomes of the studied groups based on waist circumference. Supplementary Table S3. Characteristics and adiposity measures of women based on ICSI indication. Supplementary Table S4. ICSI cycle parameters and outcomes of women based on ICSI indication.
E01668: The Latin Martyrdom of *Perpetua and Felicitas, of the early 3rd c., mentions a blood-covered ring, given by the martyr Saturus (companion of Perpetua, S00009) to his guardsman, Pudens, in memory of his martyrdom. Written in Latin North Africa.
Creators: name: Erizos
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Martyrdom of Perpetua and her Companions (BHL 6633)

For a summary and discussion of the whole text, see $E01666

[21] Item Saturus in alia porta Pudentem militem exhortabatur dicens: ‘Ad summam’, inquit, ‘certe, sicut praesumpsi et praedixi, nullam usque adhuc bestiam sensi. Et nunc de toto corde credas: ecce prodeo illo, et ab uno morsu leopardi consummor’.
ii. Et statim in fine spectaculi leopardo obiectus de uno morsu tanto perfusus est sanguine, ut populus revertenti illi secundi baptismatis testimonium reclamaverit: ‘Salvum lotum! Salvum lotum!’
iii. Plane utique salvus erat qui hoc modo laverat.
iv. Tunc Pudenti militi inquit: ‘Vale’, inquit, ‘et memento fidei et mei; et haec te non conturbent, sed confirment’.
 v. Simulque ansulam de digito eius petiit, et vulneri suo mersam reddidit ei hereditatem, pignus relinquens illi et memoriam sanguinis.
 vi. Exinde iam exanimis prosternitur cum ceteris ad iugulationem solito loco.

‘21. Likewise Saturus, at another gate, encouraged the soldier Pudens saying: “Overall,” he said, “just as I thought and predicted, I have not been touched by a beast so far. And now, believe me whole-heartedly: behold, I am going out there and am going to be consumed by a leopard in one bite.”
 ii. And right away, at the end of the spectacle, he threw himself to a leopard and with one bite was covered in so much blood that the people, bearing witness to his second baptism, shouted: “Well bathed! Well bathed!"
iii. And certainly well was he who had bathed like that.
iv. Then to the soldier Pudens he said “Farewell, and remember the faith and me; and let these things not undermine, but strengthen you!”
v. And at the same moment he asked for the little ring from Pudens’ finger, put it into his own wound, and gave it to Pudens as a legacy, leaving it to him as a pledge and reminder of his blood.
vi. Then, already dead, he was thrown together with the rest in the usual place for the final thrust.’

Text: Amat 1996. Translation: Farrell and Williams 2012, modified.
sj-pdf-1-han-10.1177_1558944720976413 – Supplemental material for Barriers to Upper Extremity Reconstruction for Patients With Cerebral Palsy
Creators: name: Loewenstein, Scott N.
name: Angulo-Parker, Francisco
name: Lava Timsina
name: Adkinson, Joshua
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: Medicine
subject: 110314 Orthopaedics
subject: FOS: Clinical medicine
subject: 110604 Sports Medicine
subject: FOS: Health sciences

description: Supplemental material, sj-pdf-1-han-10.1177_1558944720976413 for Barriers to Upper Extremity Reconstruction for Patients With Cerebral Palsy by Scott N. Loewenstein, Francisco Angulo-Parker, Lava Timsina and Joshua Adkinson in HAND
Estimated health impacts of reformulation resulting from Health Star Rating nutrition labelling in Aotearoa New Zealand
Creators: name: Cleghorn, Christine L.
name: Blakely, Tony
name: Bablani, Laxman
name: Mhurchu, Cliona Ni
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Medicine
subject: Biotechnology
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: Science Policy
subject: Computational Biology

description: We aimed to model the impact of product reformulation following adoption of the Health Star Rating (HSR) nutrition labelling system in Aotearoa New Zealand (NZ). Household panel data (2014–19) was used to estimate the effect of HSR labels on product nutrient content. Observed changes were applied to population dietary intakes. Impacts were modelled through to Health Adjusted Life Years (HALYs) and health sector costs (NZ$2011 consumer price index (CPI) adjusted to NZ$2023) using a proportional multi-state life-table (pMSLT) model over the remaining life of the 2011 NZ population (n = 4.4 million, 3% discounted). Modelling the current HSR uptake (23% products on average), NZ adults’ mean daily energy, sodium and fibre intakes changed by 0.7 KJ (0.0%), –18.2 mg (−0.5%) and 0.04 g (0.2%). This resulted in 700 (95% uncertainty interval (UI): –600–1,800) HALYs gained, and estimated net costs (combining intervention costs and health system cost savings) of $8.4 million (M, 95% UI: –$17.4 to $35.4M). An estimated 24,300 HALYs (95% UI: 19,400–29,900) and $568.1M (95% UI: $430.1 to $733.7M) cost savings were seen if the HSR was made mandatory in 2025. The results of the current HSR uptake find minimal reformulation causing very small changes in population nutrient intake and therefore resulting in small health gains. Mandatory HSR nutrition labels could deliver population health gains and health sector cost savings through reformulation. There is, however, real uncertainty around the scheme’s effect on energy intake which will affect these impacts.
E01669: Gregory of Nyssa in his Life of *Makrina (ascetic S00899), written in Greek in the early 380s, reports that Makrina has the mystical name 'Thekla', after *Thekla of Seleucia (follower of the Apostle Paul, S00092), due to a dream vision experienced by her mother during her birth. Written in Cappadocia (central Asia Minor).
Creators: name: Erizos
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: Gregory of Nyssa, Life of *Makrina (CPG 3166, BHG 1012)

For the context of this passage, see E01660

2.20-34

εὐθὺς ἐν ταῖς πρώταις ὠδῖσι ταύτης γίνεται μήτηρ· καὶ ἐπειδὴ παρῆν ὁ καιρός, καθ᾽ ὃν ἔδει λυθῆναι τὴν ὠδῖνα τῷ τόκῳ, εἰς ὕπνον τραπεῖσα φέρειν ἐδόκει διὰ χειρὸς τὸ ἔτι ὑπὸ τῶν σπλάγχνων περιεχόμενον καί τινα ἐν εἴδει καὶ σχήματι μεγαλοπρεπεστέρῳ ἢ κατὰ ἄνθρωπον ἐπιφανέντα προσειπεῖν τὴν βασταζομένην ἐκ τοῦ ὀνόματος Θέκλης· ἐκείνης τῆς Θέκλης, ἧς πολὺς ἐν ταῖς παρθένοις ὁ λόγος. ποιήσαντα δὲ τοῦτο καὶ μαρτυράμενον εἰς τρὶς μεταστῆναι τῶν ὄψεων καὶ δοῦναι τῇ ὠδῖνι τὴν εὐκολίαν, ὡς ὁμοῦ τε τοῦ ὕπνου αὐτὴν διαναστῆναι καὶ τὸ ἐνύπνιον ὕπαρ ἰδεῖν. τὸ μὲν οὖν ὄνομα τὸ κεκρυμμένον ἐκεῖνο ἦν. δοκεῖ δέ μοι μὴ τοσοῦτον πρὸς τὴν ὀνοματικὴν κλῆσιν ὁδηγῶν τὴν γειναμένην ὁ ἐπιφανεὶς τοῦτο προσφθέγξασθαι, ἀλλὰ τὸν βίον προειπεῖν τῆς νέας καὶ τὴν τῆς προαιρέσεως ὁμοιότητα διὰ τῆς ὁμωνυμίας αἰνίξασθαι.

‘Immediately, in her first pregnancy, she (Emmeleia) became her (Makrina’s) mother. When the due time came for her to be freed from her pangs in delivery, she fell into a sleep and saw that she was carrying in her arms the baby which was still contained by her womb; a man appeared, of a form and appearance grander than human, and addressed the girl she was carrying by the name of Thekla – that Thekla whose renown is great among the virgins. He did so and had her affirm three times, and vanished from her sight granting ease to her labour, so that she awoke from her sleep and saw in living what she had seen in her dream. That then was her secret name. But it seems to me that the apparition spoke that way not so much to guide the mother in the giving of a name, as to foretell the way of living of the girl and to indicate, by the sharing of the same name, the sharing of the same choice of life.’

Text: Maraval 1971
Translation: Silvas 2008
sj-pdf-1-nnr-10.1177_1545968320971741 – Supplemental material for White Matter Integrity Predicts Electrical Stimulation (tDCS) and Language Therapy Effects in Primary Progressive Aphasia
Creators: name: Zhao, Yi
name: Ficek, Bronte
name: Webster, Kimberly
name: Frangakis, Constantine
name: Caffo, Brian
name: Hillis, Argye E.
name: Faria, Andreia
name: Tsapkini, Kyrana
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: Geriatrics and Gerontology
subject: Neurology and Neuromuscular Diseases
subject: FOS: Clinical medicine
subject: Neuroscience

description: Supplemental material, sj-pdf-1-nnr-10.1177_1545968320971741 for White Matter Integrity Predicts Electrical Stimulation (tDCS) and Language Therapy Effects in Primary Progressive Aphasia by Yi Zhao, Bronte Ficek, Kimberly Webster, Constantine Frangakis, Brian Caffo, Argye E. Hillis, Andreia Faria and Kyrana Tsapkini in Neurorehabilitation and Neural Repair
Additional file 1 of Priority populations’ experiences of the accessibility and inclusion of recreation centres: a qualitative study
Creators: name: Rivera, Elise
name: Smith, Cynthia
name: Hesketh, Kylie D
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Science Policy

description: Supplementary Material 1: Interview Guide. The interview guide includes questions and prompts pertaining to the following pillars of the adapted 7 Pillars of Inclusion model: access and choice (focused on facilities); access and choice (focused on programs); communications; attitude; and partnerships/opportunities
Wikibase Datenmodell v0.2
Creators: name: Thiery, Florian
name: Berthold, Angela
Publisher: name: Squirrel Papers, via Zenodo
Year: 2025

description: Präsentation am 20 März 2025

TWG 2024.3 Prototypische Modellierung eines Provenienzgazetteers zur FAIRen Bereitstellung in einer Wikibase
Quantifying a different way of doing research in the Our Land and Water National Science Challenge
Creators: name: McDowell, Richard W.
name: Llewellyn, Rick
name: Kaye-Blake, William
Publisher: name: Taylor & Francis
Year: 2024
Subjects: subject: Sociology
subject: FOS: Sociology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Science Policy

description: The Our Land and Water National Science Challenge (OLW) had the gazetted objective of enhancing primary sector production and productivity while maintaining and improving land and water quality for future generations. OLW employed a co-innovation approach, integrating a wide range of disciplines and stakeholders in the co-design, co-development, and co-production of research. Empirical data from OLW’s eight-year implementation indicated that this approach increased the adoption of innovations (from a baseline of 20% to 53%, on average) and reduced the complexity for farmers in evaluating agri-environmental benefits, leading to significant improvements in both environmental and economic outcomes. Despite a lower volume of traditional publications, the high level of stakeholder engagement and co-authorship suggests that the research is well-integrated and impactful. These findings support the hypothesis that co-innovation yielded quicker impacts than traditional research approaches for the same level of investment.
Supplemental Material, sj-docx-2-cpc-10.1177_1055665620965256 - Using an Intake Form and Clinic Dashboard to Tailor and Improve the Cleft Team Clinic Visit for Families
Creators: name: Pfeifauf, Kristin D.
name: Snyder-Warwick, Alison K.
name: Scheve, Sibyl
name: Grellner, Cheryl L.
name: Skolnick, Gary B.
name: Naidoo, Sybill D.
name: Patel, Kamlesh B.
Publisher: name: SAGE Journals
Year: 2020
Subjects: subject: 110323 Surgery
subject: FOS: Clinical medicine

description: Supplemental Material, sj-docx-2-cpc-10.1177_1055665620965256 for Using an Intake Form and Clinic Dashboard to Tailor and Improve the Cleft Team Clinic Visit for Families by Kristin D. Pfeifauf, Alison K. Snyder-Warwick, Sibyl Scheve, Cheryl L. Grellner, Gary B. Skolnick, Sybill D. Naidoo and Kamlesh B. Patel in The Cleft Palate-Craniofacial Journal
E01670: Greek inscription, commemorating the construction probably of a room or chapel, at a church dedicated to 'All Martyrs'. Found at Ḫarāb aš-Šams in the Limestone Massif (north Syria, between Antioch on the Orontes and Beroia/Aleppo). Probably late antique.
Creators: name: Pnowakowski
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: ὁ Χρίστος βοήθεσον
Δαβιδος ὅτι αὐτὸς
κατὰ ἐκκλησίαν
πάντων μαρτύρων
ἔκτισεν τοῦτο

'Christ, help Davidos, because he himself built it at the church of All Martyrs.'

Text: Jarry 1967, no. 81 with corrections on pp. 206-207.
sj-pdf-1-cjk-10.1177_2054358120977390 – Supplemental material for Validation of the International Classification of Disease 10th Revision Codes for Kidney Transplant Rejection and Failure
Creators: name: Massicotte-Azarniouch, David
name: Sood, Manish M.
name: Fergusson, Dean A.
name: Knoll, Greg A.
Publisher: name: SAGE Journals
Year: 2020
Subjects: Medicine

description: Supplemental material, sj-pdf-1-cjk-10.1177_2054358120977390 for Validation of the International Classification of Disease 10th Revision Codes for Kidney Transplant Rejection and Failure by David Massicotte-Azarniouch, Manish M. Sood, Dean A. Fergusson and Greg A. Knoll in Canadian Journal of Kidney Health and Disease
E01671: Greek dedicatory inscription with probably an invocation of *Mary (Mother of Christ, S00033). Found at Šeiḥ Sleimān/Shekh Slēmân in the Limestone Massif (north Syria, between Antioch-on-the-Orontes and Beroia/Aleppo). Dated 519/520.
Creators: name: Pnowakowski
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: ἔτους ηξφ΄ μή(τηρ) θε(οῦ) σόσον

'In the year 568. O Mother of God, save (me/us)!'

Text: Jarry 1967, no. 88.
Der sozialethische Ansatz der christlichen Befreiungsethik Lateinamerikas
Creators: name: Lienkamp, Andreas
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Befreiung; Ethik; Befreiungsethik; Lateinamerika; Literatur; Individuum; Gesellschaft; Armut; Autonomie; Partikularität; Universalität; Kontextualität; Sünde

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 30 (1989): Das Verhältnis von sozial-gesellschaftlicher und individual-zwischenmenschlicher Ethik
Diskussion: Evangelikal-aporetischer Fundamentalismus?
Creators: name: Ludwig, Heiner
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 30 (1989): Das Verhältnis von sozial-gesellschaftlicher und individual-zwischenmenschlicher Ethik
Diskussion: Theologisch-politischer Fundamentalismus?
Creators: name: Kroh, Werner
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 30 (1989): Das Verhältnis von sozial-gesellschaftlicher und individual-zwischenmenschlicher Ethik
Wettbewerb und Moral
Creators: name: Homann, Karl
Publisher: name: Institut für Christliche Sozialwissenschaften (ICS)
Year: 2012
Subjects: Wettbewerb; Moral; Solidarität; Altruismus; Ordnung; Markt; Ökonomie; Wettbewerb; Effizienz; Spieltheorie; Rahmenordnung

description: [Abstract fehlt]
description: Jahrbuch für Christliche Sozialwissenschaften, Vol 31 (1990): Wirtschaftsethik
E01673: Greek inscription commemorating the construction of a martyr shrine (martyrion) of unnamed 'holy, gloriously triumphant martyrs'. Found at Qerqania near Antioch on the Orontes (north Syria). Perhaps 7th c., although once dated to the 4th c.
Creators: name: Pnowakowski
Publisher: name: University of Oxford
Year: 2016
Subjects: History

description: [ἐν ὀνόματι] τῆς ἁγίας ὁμο[ο]υσίου Τριάδος, ἐτ-
[ελειώθη τ]ὸ μαρτύριον το͂ν ἁγίον καλινίκο-
[ν μαρτύρ]ον. ἐλέει θεοῦ λέμψοντε μισθ-
[ὸν αἰώνι]ον ετ̣ινες ἐκαρποφόρεεσαν κὲ
[εἰσέτι κ]αρποφοροῦσιν. ἐτελεόθε κ(αὶ)
[ἡγιάσθ]η ἐν μενὶ Πανέμο ἰνδ. δʹ τοῦ vacat?
[ ... ἔ]τους. ἔργον Ἰουλιανοῦ, Ζίβνου
[ - - -]ου καὶ Ἀνδρέου γραμιστοῦ κα Ἀδεα

1-2. perhaps χάριτι τῆς ἁγίας ὁμοουσίου Τριάδος, cf. SEG 38, 1660 (Khirbet el-Kursi, Arabia) or or εἰς δόξαν || 2. ἔτ[- - -] Jarry || 3-4. καλινίκο[ν - - -]|ον Jarry || 4-8. ονετ̣ινες ἐκαρποφορέεσαν κε[- - - | κ]αρποφόρου σινετελεόθε κ[- - -]|η ἐν μενὶ Πανέμο ἰνδ. δʹ τοῦ [- - -]| ἔτους ἔργον Ἰουλιανοῦ Ζίβνου[- - -]|ου καὶ Ἀνδρέου γραμιστοῦ κα Ἀδεα [- - -] Jarry || 8. - - -]ου perhaps a personal name or a professions, e.g. τεχνίτ]ου or ἐργολάβ]ου

'[In the name] of the Holy and Consubstantial Trinity. The shrine (martyrion) of the holy and gloriously triumphant martyrs was completed. By the mercy of God those who offered and offer in this place will receive the eternal reward. It was completed and consecrated in the month of Panemos, during the 4th indiction, in the [- - -] year. The work of Ioulianos, Zivnos (?), [- - -] and Andreas, draughtsman, and Addeas.'

Text: Jarry 1967, no. 116, altered and translated by E. Rizos and P. Nowakowski.
Molecular characterization and recombination analysis of Gyrovirus homsa2 in chickens
Creators: name: Zhang, Zhibin
name: Li, Weichi
name: Xu, Xin
name: Li, Dandan
name: Ji, Jun
name: Yao, Lunguang
name: Bi, Yingzuo
name: Xie, Qingmei
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Evolutionary Biology
subject: Environmental Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Cancer
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology

description: Gyrovirus homsa2 (GyVh2), originally identified in Tunisian children with diarrhea, was previously known as Gyrovirus 6. In this study, chickens from 36 poultry farms across four major poultry-producing provinces in China (Henan, Hubei, Anhui, and Jiangsu) were screened for GyVh2 using polymerase chain reaction (PCR) from 2022 to 2024. As a result, 12 farms positive for GyVh2 were detected and subsequently conducted whole-genome sequencing for GyVh2. The genomes of the 12 GyVh2 from positive farms were all 2,282 nucleotides (nt) in length. Sequence similarity analysis showed high similarity (94.87%-99.65%) among the obtained and reference GyVh2 strains with no significant determining of years or geographic distribution, but low similarity (48.99%-57.60%) with other Gyrovirus species (Gyrovirus chickenanemia, Gyrovirus galga1, Gyrovirus galga2 and Gyrovirus homsa1). Phylogenetic analysis of the whole genome sequences of all 12 positive farms GyVh2 revealed that they formed a unique branch, clearly separated from other Gyrovirus species. Recombination analysis suggested that HN220604 (accession NO.: 9595.1) and HN221228 (accession NO.: 9596.1) may have originated from recombination with the human-derived GyVh2 strain (accession NO.: NC_022789.1). A hypervariable region (located at sites 140-152) and highly mutated sites at positions 149, 254 and 380 were identified in the capsid protein through amino acid mutation analysis. The observed association between GyVh2 cross-species transmission and complex mutations and recombination offers a basis for future studies on its molecular epidemiology and evolution.
Probing the chemical landscape of 3,4-dichloro-1,2,5-thiadiazole: DFT calculations and biological activity insights
Creators: name: Aftab, Ana
name: Shaheer, Mohammad
name: Garg, Naveen
name: Himanshu
name: Jan, Iram
name: Savita, Sandhya
name: Shahid, Mudassar
name: Siddiqui, Nazia
name: Javed, Saleem
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine

description: Experimental and theoretical investigations were made on the molecule 3,4-dichloro-1,2,5-thiadiazole abbreviated as DCTDA. Density functional theory (DFT) approach with B3LYP functional was employed for the theoretical calculations. Geometrical optimization is performed for the molecule under DFT’s B3LYP functional and MP2 method with basis set 6-311++ G (d, p) on which the entire computational study (Molecular Electrostatic Potential [MEP], Electron localization function [ELF], Natural bond orbital [NBO], Non-Linear optical [NLO], Temperature dependent DFT [TD-DFT] calculations) is made. Spectrochemical studies involved FT-IR and UV-Visible investigations. The molecule’s chemically reactive sites have been explained via MEP andFukui function analysis. NBO analysis was done to explain the acceptor-donor interactions interference energy, and hybridization of the bond generated. Reduced Density Gradient calculations were made to analyze the non-covalent interactions within the molecule. Optical utility along with hyperpolarizability and polarizability are studied with the help of NLO analysis. Vibrational analysis included the Potential Energy Distribution assignments made by the usage of VEDA program. Frontier molecular orbital interactions were studied using the TD-DFT calculations which predicted the probable transitions. Binding of different proteins to the ligand (titled molecule) was effectively done to obtain lowest binding scores (which is found to be −4.5 kcal/mol for DCTDA) indicating to strong receptor (protein)-ligand interactions and thus deduced the very probability of the molecule being biologically active. ELF was used to explain AIM (Atom in Molecule) theory and helps visualize the localization and delocalization of electrons within the molecule. UV-Visible spectroscopy employed using TD-DFT in various solvents to study the charge transfer and the impact of different solvents on the peak position in the spectra. Thermodynamic properties such as entropy, internal energy, enthalpy, Gibb’s free energy, specific heat capacity was calculated for a wide range of temperatures. Certain local descriptors including chemical softness, chemical hardness, chemical potential and electrophilicity index were deduced using the LUMO-HOMO energy gap. Drug likeness was also deduced for DCTDA and various other of its derivatives.