Littérature scientifique sur le sujet « Egg donation »

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Articles de revues sur le sujet "Egg donation"

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Black, Jennifer J. « Egg Donation ». MCN, The American Journal of Maternal/Child Nursing 35, no 3 (mai 2010) : 132–37. http://dx.doi.org/10.1097/nmc.0b013e3181d763b9.

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&NA;. « Egg Donation ». MCN, The American Journal of Maternal/Child Nursing 35, no 3 (mai 2010) : 137–39. http://dx.doi.org/10.1097/nmc.0b013e3181dd0c1c.

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Birdsall, Mary. « Egg Donation ». British Menopause Society Journal 2, no 2 (juillet 1996) : 9–11. http://dx.doi.org/10.1177/136218079600200208.

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Katzorke, Thomas. « Eizellspende (egg-donation) ». Reproduktionsmedizin 16, no 6 (14 décembre 2000) : 373–75. http://dx.doi.org/10.1007/s004440000222.

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Álvarez Medina, Georgina. « High Complexity Fertilization in Cuba : Egg Donation ». Obstetrics Gynecology and Reproductive Sciences 5, no 3 (29 avril 2021) : 01–02. http://dx.doi.org/10.31579/2578-8965/068.

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The decades of the 70s and 80s of the last century in our country, allowed us to glimpse that the possibilities of treatment for the infertile couple were considerably expanded. Until that moment, infertile couples had very limited options such as adoption, insemination using a donor or conforming to not having children. In Cuba, since 1979, the first steps were taken in the field of assisted reproduction in animals. Human reproduction studies have been carried out at the National Institute of Endocrinology and the Ramón González Coro Gyneco-obstetric Hospital, the first birth having occurred in 1986. Since 2006 and with the aim of guaranteeing perinatological care specialized in pregnant patients as a result of in vitro fertilization, it was decided to create a consultation at the Ramón González Coro Hospital given the high rate of twin and triple pregnancies, preterm births and complications. The number of patients treated had to proceed with high complexity in vitro fertilization and sometimes ICSI and it was not until 2014 after the approval by our constitution, the family code and medical ethics that egg donation began.
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Thomasma, David C. « Selling Human Egg Donation ». American Journal of Bioethics 1, no 4 (1 décembre 2001) : 1. http://dx.doi.org/10.1162/152651601317139342.

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Cattapan, Alana Rose. « Good eggs ? Evaluating consent forms for egg donation ». Journal of Medical Ethics 42, no 7 (7 mars 2016) : 455–59. http://dx.doi.org/10.1136/medethics-2015-102964.

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Long, Yao, et Shuangning Zhou. « Research on The Legal Path of Female Egg Donation in China under The Background of Low Fertility Rate ». Journal of Education, Humanities and Social Sciences 7 (13 janvier 2023) : 154–62. http://dx.doi.org/10.54097/ehss.v7i.4078.

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With the fertility rate declining yearly in China, egg donation has become a meaningful way to solve people's infertility and improve fertility. However, more laws and regulations on egg donation behavior norms and constraints must be more relevant. Promoting the legalization of egg donation in China and establishing a standardized national unified egg bank can help infertile parents reproduce through reproductive assistance technology and improve the national fertility level. Through literature review and summary, this paper found that there are ethical and moral risks, lack of reasonable supervision, and the egg donation platform has yet to be fully established in China. Therefore, it is necessary to establish and improve the relevant legal management system of egg banks and carry out more standardized and strict supervision and legal regulations on the specific procedures of egg donation, egg use, egg collection, and egg freezing. The public welfare of voluntary egg donation should be publicized more to reduce the possibility of commercial egg donation and egg freezing. Pay attention to the construction of egg banks, conduct data statistics, prevent the occurrence of inbreeding, protect the privacy of egg donors more comprehensively, and provide encouraging economic compensation to egg donors; Finally, the physical and mental health and safety of egg donors should be guaranteed to reduce the risk of egg donation.
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Simoglou, Vassiliki. « The Pain of Egg-Donation ». Open Pain Journal 7, no 1 (24 novembre 2014) : 41–45. http://dx.doi.org/10.2174/1876386301407010041.

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Contemporary body practices providing an answer to the subjects’ demand for assisted reproduction procedures, question the subjective experience of pain. The psychoanalytic approach of pain introduces the dimension of the unconscious in bodily experiences. Clinical field work and psychoanalytic psychotherapy with an infertile woman after failed egg-donation in vitro fertilization cycles, allows an understanding of psychic pain as analogous to somatic pain and considers the human body as a psychosomatic entity. In this case study, pain becomes a vector of subjectivation, allowing for the subject to negotiate acceptance of a gift impossible to receive.
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Abdalla, H., et J. W. Studd. « Egg donation and medical ethics. » BMJ 299, no 6691 (8 juillet 1989) : 120. http://dx.doi.org/10.1136/bmj.299.6691.120-a.

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Thèses sur le sujet "Egg donation"

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Nahman, Michal Rachel. « Israeli extraction : an ethnographic study of egg donation and national imaginaries ». Thesis, Lancaster University, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.431739.

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This thesis derives from ethnographic research undertaken in sites of Israeli NF and egg donation between January and September 2002. The thesis begins with an examination of some features of the general context of Israeli ova donation through an analysis of a set of stories about the theft of ova and an egg shortage crisis, which emerged in the year prior to my fieldwork in Israel (2001). It then moves to an examination of NF and egg donation at a state run clinic in Jerusalem. From there I trace some new practices of transnational ova donation in three sites and sets of practices: an IVF clinic in Tel Aviv; donor trait selection at this Tel Aviv clinic; and an Israeli egg donation and extraction clinic in Romania. I trace some key features of these sites and practices. Through this analysis, I explore some of the ways in which discursive practices of Israeli . extraction, exchange, and implantation are important sites in the making of gender, religious, race and kinship relations, and are thereby implicated in the making of the Israeli nation. The study frames egg donation practices as 'national imaginaries', which are resonant with, and implicated in, the politics of (re)producing the state of Israel as Jewish and Euro-American, One element of this which is identified here has been the shift towards privatisation of health care. I document some of the features and consequences of this privatisation in the sphere of Israeli IVF and transnational ova trafficking. Conducted during a period in which political and military negotiations of Israeli borders were intense, this research examines another, but related, site of border struggles .- medically assisted reproduction.
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Moyo, Rufaro. « A resurgence of eugenics ? The role of race in egg donation ». Master's thesis, Faculty of Humanities, 2019. https://hdl.handle.net/11427/31837.

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Despite the Human Genome Project in 2000 discovering that there is no hereditary distinction between races, the naturalized bio-centric conception of race continues to pervade our society (Roberts, 2011). One such area where this happens is during the egg donation process. Egg donation is a part of the growing industry of Assisted Reproductive Technologies (ARTs), which clinics employ in the treatment of infertility. Donor agents and clinics often classify their donors using racial categories. This research project sought to discover what role race played in the egg donation process, using racial matching and neo-eugenics as its theoretical frameworks. Ten semi-structured open ended interviews were conducted with nine participants, all of whom work in the field of fertility. The study discovered that the role race plays in the egg donation process is central. Both recipients and donor agents employ racial categories in order to find an egg donor that racially matches the patient, which is the phenomenon of racial-matching. This phenomenon of race-matching is a process of neo-eugenics. Whilst many think of ‘better birth’ at the mention of the term eugenics, this study makes the argument that racial matching mimics eugenic practices of maintaining the myth of racial purity. Donor agents speak of an ‘obviousness’ of the use of racial categories, naturalizing race as biological and seemingly legitimizing hegemonic notions of the family. Yet despite the prevalent use of race, donor agents display discomfort in discussing race and employ emotional narratives that speak to the fairy tale of a supposedly racially homogeneous and heterosexual family being made as a means of deflecting possible problematic views of egg donation. The study acknowledges the socio-political issues that often underpin ARTs, which is carefully concealed by narratives of family creation and the search for wellness. The study concludes by reiterating these arguments and making mention of the need for these power dynamics surrounding race to be dismantled to achieve social justice for all.
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Kazem, Rahnuma. « Oocyte cryopreservation ». Thesis, University of Aberdeen, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.282706.

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A questionnaire based survey was done to assess the views of fertile individuals, infertile individuals, egg donors and recipients towards gamete donation. The survey showed that fertile individuals were significantly less inclined towards the use of donated eggs in research and treatment, compared to infertile individuals. Acceptability of gamete donation was found to be very high in all groups regardless of their fertility, but the majority of individuals, whether fertile or infertile, were opposed to the use of fetal and cadaveric sources of obtaining eggs. The effect of modifications of the freeze-thaw process was investigated in the mouse model. It was seen that slight modifications of the slow freeze protocol affected survival rates and that ultrarapid freezing achieved better survival rates than slow freezing. Human oocyte cryopreservation was performed using a slow freeze-rapid thaw protocol. In total, 34.4% of oocytes survived cryopreservation and these were randomly allocated for fertilisation by conventional in vitro fertilisation (IVF) or intracytoplasmic sperm injection (ICSI). Resulting embryos were spread for chromosomal analysis. ICSI significantly improved the rates of normal fertilisation (43.2% versus 2.7%) compared to IVF (P<0.001). A normal diploid karyotype was achieved by ICSI. These studies show that oocyte donation is acceptable to the majority of both fertile and infertile individuals. Further research is required to improve the methods of oocyte cryopreservation. Once the techniques of cryopreservation have been established, ICSI may successfully be applied to enhance subsequent fertilisation rates.
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Martin, Nina Marie. « Negotiating relationships : exploring the psychosocial experience of egg donation using a known donor ». Thesis, University of Huddersfield, 2008. http://eprints.hud.ac.uk/id/eprint/2981/.

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The main aim of this research was to explore the experience of known egg donation in order to identify the psychosocial issues involved. Previous research into known egg donation remains sparse, with the majority of studies focusing on the psychological aspects of treatment, providing largely quantitative information about the practice. In addition to the purely psychological, the current research acknowledges the importance of social factors, highlighting the psychosocial implications of known egg donation for those involved. The study took a hermeneutic phenomenological approach in an effort to understand and interpret participants’ experience of known egg donation through the use of language during interviews. The research was conducted in two distinct phases. During Phase One, semi-structured interviews were conducted with counsellors in UK licensed treatment centres and analysed using a version of thematic analysis. During Phase Two, known egg donors, recipients and the partners of recipients were interviewed in-depth and analysed using a voice-centred relational approach. Following the identification of a number of key themes, the data collected during both phases were synthesized to enable the identification of the psychosocial implications of known egg donation. The main findings highlighted the importance of negotiating relationships before, during and after the donation. Key psychosocial issues identified are: the existence of pressure (both overt and covert) within the donor-recipient relationship, defining and maintaining clear relationship boundaries, involvement of male partners, relationship changes, and a continued renegotiation of relationships in the longer-term. The psychosocial implications identified emphasise the need for counsellors to: adopt a relationally-focused approach within their work, promote the best interests of the families involved, work with all those involved in the donation throughout the donation process and beyond, encourage ongoing discussion surrounding the implications of secrecy and disclosure, and ensure consistency of psychosocial care.
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Scott, Elizabeth. « The Experience of Egg Donation Parents and Issues they considered when making disclosure decisions ». Thesis, University of Manchester, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.516441.

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Gilman, Leah Isabelle. « Qualifying kinship : how do UK gamete donors negotiate identity-release donation ? » Thesis, University of Edinburgh, 2017. http://hdl.handle.net/1842/25467.

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With effect from 1st April 2005, UK law was amended such that gamete donors must now consent to their identity being released to their donor offspring, should they request it after the age of eighteen. This qualitative study investigates the views and experiences of those donating in this new context. Drawing primarily on twenty-four in-depth interviews with donors, supplemented by twenty staff interviews and observation in two fertility clinics, I examine how donors make sense of their role in relation to offspring, recipients and the wider community. I argue that donors make sense of their role as “biological” parents to offspring through creative reference to kinship repertoires, drawing on their own experiences of “doing family.” However, crucially, kinship connections are always qualified in some way to show that they are not quite family to donor offspring, and certainly not their “real” parent. Often this discursive work involved emphasising their relationship to recipients or the wider community (rather than offspring), framing the donation as a gift or a public act. In addition, donors drew on their kinship expertise to dilute, reshape or “re-route” their connection to offspring. Ultimately, this is a thesis about the limiting work involved in “doing kinship.” I demonstrate that donors did this limiting work in highly creative ways, not restricted to forgetting or ignoring connections. Instead, I show that not constructing kinship claims can be as active a process as making them.
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Dedrick, Elizabeth A. « The politics of being an egg "donor" and shifting notions of reproductive freedom ». [Tampa, Fla.] : University of South Florida, 2004. http://purl.fcla.edu/fcla/etd/SFE0000286.

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Blake, Lucy. « Families created by gamete donation : disclosure and family functioning when children are seven years old ». Thesis, University of Cambridge, 2012. https://www.repository.cam.ac.uk/handle/1810/242012.

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Recent advances in assisted reproductive technologies have resulted in an increasing number of children born by gamete donation. Children conceived by egg donation lack a genetic link with their mother whereas children conceived by donor insemination lack a genetic link with their father. In families in which parents do not disclose their use of donated gametes, the child is unaware that their mother or their father in not their genetic parent. The aim of this thesis was to assess the impact of non-disclosure, and of the absence of a genetic link between parent and child, on family functioning and child adjustment. Data were obtained from a representative sample of 36 donor insemination, 32 egg donation and 54 natural conception families when the target child was 7 years old. Standardised interview, questionnaire and observational data were obtained from mothers, fathers, children and the child?s teacher. Few differences in family functioning were found between disclosing and non-disclosing gamete donation families. Likewise, few differences emerged between gamete donation families and natural conception families. The families were found to be functioning well irrespective of whether the parents had disclosed and of whether the child lacked a genetic link with a parent. However, comparisons between donor insemination and egg donation families showed that disclosure status and family type interacted in complex ways. Contrary to predictions, disclosure was not always associated with favourable outcomes. Children in disclosing donor insemination families were rated by teachers as having fewer behavioural problems. However, observational ratings showed lower levels of positive mother-child interaction in disclosing egg donation families. The process of disclosure was also explored. In all but one disclosing family, parents had started to talk to their child about their donor conception by age 4, with disclosure typically initiated and maintained by the mother. Despite mothers? concerns, children did not appear distressed by information about their donor conception. However, interviews with the children themselves suggested that most had little understanding of their donor conception at age 7.
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Weiss, Allison R. « Current Views on Creating Families : Adoption, Assisted Reproduction and Family Relationships ». Thesis, Boston College, 2003. http://hdl.handle.net/2345/437.

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Thesis advisor: Diane Scott-Jones
The purpose of this study was to explore young adults' views on building their future families; methods of having children including adoption, in vitro fertilization (IVF), donor insemination, egg donation, and surrogacy; disclosure of these methods to children; and the importance of children's contact with extended family. The sample consisted of 82 Boston College students, 41 males and 41 females, with a mean age of 20.67 years. Participants completed a questionnaire and an open-ended interview. The majority of the participants expected to have a life-long partner, raise at least one child, and help their children build relationships with extended relatives. Males and females did not differ on most questions; however females reported thinking about their future families more often than did males (p = .01), and females expected to start their families earlier than did males (p = .02). Participants were more open to adoption than to assisted reproduction technology (ART). IVF was the most preferred among the methods of ART (p < .001). Participants reported they would be most likely to disclose information to their child had they used adoption or ART and were the genetic parent. Some participants emphasized the importance of disclose to a child had they used ART and were not the genetic parents; approximately one-fourth of participants affirmed that a child has a right to know. Participants reported it would be easier to answer their children's questions about adoption or ART than to initiate a discussion on these topics with their children (p < .001). The majority of participants reported that it was important to help their children build connections with extended family and they planned to accomplish this through visiting and preserving family traditions. The findings provide insight into young adults' expectations for creating their families
Thesis (BA) — Boston College, 2003
Submitted to: Boston College. College of Arts and Sciences
Discipline: Psychology
Discipline: College Honors Program
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Tasa-Vinyals, Elisabet. « “Thanks to a good fairy you were born” : An intersectional feminist analysis of ovum donation advertising found in the public space in Barcelona ». Thesis, Linköpings universitet, Tema Genus, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-141619.

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Gamete donors are actively searched by companies dedicated to assisted reproduction in the Spanish State, and advertising is not only legal but rather common. This thesis provides an overview of the main themes that arise from the analysis of mostly visual materials used to promote ovum donation in public spaces in Barcelona, and critically links them to current debates in intersectional feminist cultural studies of technoscience, bodily theory and visual studies. Conceptual and affective tensions between characterisations of women’s bodies, reproductive function and desires are identified and brought forward in terms that imply tropes of sacralisation, reification of cells/organs/tissues, and fragmentation of the bodily reality. It is argued that egg donation advertisements use an imagery that deeply connects with practices well rooted in Western biomedical traditions when it comes to female bodies, physiology and reproductive function, and that such practices are to be understood against the backdrop of neoliberalism. The analysis supports the idea that the publicity discourse of the assisted reproduction industry in Spain actively engages in a legitimation of the desire of biological parenthood as a right, in ways that value lives conceived in different circumstances and geopolitical contexts in radically different ways, and that can be interpreted as paving the way to prosurrogacy and/or eugenic positions. Future research is encouraged and directed towards exploring issues of agency, particularly in vulnerable groups such as migrant, poor, uneducated or racialised women. Further research is needed in order to build the foundations of a feminist ethical reflection on reproductive technologies and particularly of ovum donation.
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Livres sur le sujet "Egg donation"

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Great Britain. Human Fertilisation & Embryology Authority. Egg donation. London] : [The Authority], 1991.

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Celcer, Iré́né. The gift of egg donation. Niskayuna, N.Y : Graphite, 2006.

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Egg donation : The reasons and the risks. New York : Rosen Pub., 2010.

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Norris, Sonya. Reproductive technologies : Surrogacy, and egg and sperm donation. 9e éd. Ottawa, Ont : Library of Parliament, 2006.

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Mitra, Sayani, Silke Schicktanz et Tulsi Patel, dir. Cross-Cultural Comparisons on Surrogacy and Egg Donation. Cham : Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-78670-4.

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Parliament, Canada Library of. Reproductive technologies : Surrogacy, and egg and sperm donation. Ottawa : Library of Parliament, 2001.

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B, Cohen Cynthia, et National Advisory Board on Ethics in Reproduction., dir. New ways of making babies : The case of egg donation. Bloomington : Indiana University Press, 1996.

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M, Seibel Machelle, et Crockin Susan L, dir. Family building through egg and sperm donation : Medical, legal, and ethical issues. Boston : Jones and Bartlett Publishers, 1996.

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1972-, Napoletano Erika, dir. The insider's guide to egg donation : A compassionate and comprehensive guide for all parents-to-be. New York : Demos Health, 2012.

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Western Australian Reproductive Technology Council., dir. Questions and answers about the donation of human reproductive material : Donor insemination and sperm donation, donated eggs, and donated embryos. East Perth, WA : Western Australian Reproductive Technology Council, 1994.

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Chapitres de livres sur le sujet "Egg donation"

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LaCaille, Lara, Anna Maria Patino-Fernandez, Jane Monaco, Ding Ding, C. Renn Upchurch Sweeney, Colin D. Butler, Colin L. Soskolne et al. « Egg Donation ». Dans Encyclopedia of Behavioral Medicine, 659. New York, NY : Springer New York, 2013. http://dx.doi.org/10.1007/978-1-4419-1005-9_100533.

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Sauer, Mark V., et Joshua U. Klein. « Egg Donation and Surrogacy ». Dans Infertility, 135–45. Oxford, UK : Wiley-Blackwell, 2011. http://dx.doi.org/10.1002/9781444393958.ch14.

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Seibel, Machelle M. « The Future of Egg Donation ». Dans Principles of Oocyte and Embryo Donation, 333–40. New York, NY : Springer New York, 1998. http://dx.doi.org/10.1007/978-1-4612-1640-7_22.

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Pellicer, Antonio, et Victor Hugo Gomez. « Oocyte Retrieval in Egg Donation ». Dans Pick Up and Oocyte Management, 209–24. Cham : Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-28741-2_13.

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McGrath, Arthur J., et Mark V. Sauer. « The Finances of Egg Donation ». Dans Principles of Oocyte and Embryo Donation, 231–40. London : Springer London, 2013. http://dx.doi.org/10.1007/978-1-4471-2392-7_18.

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Dayal, Molina B. « Indications for Egg and Embryo Donation ». Dans Principles of Oocyte and Embryo Donation, 19–22. London : Springer London, 2013. http://dx.doi.org/10.1007/978-1-4471-2392-7_2.

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Asch, R. H. « Egg and Embryo Donation : Implantation Aspects ». Dans Infertility, 279–89. London : Springer London, 1992. http://dx.doi.org/10.1007/978-1-4471-1962-3_18.

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Cusine, D. J. « Egg and Embryo Donation : Legal Aspects ». Dans Infertility, 301–16. London : Springer London, 1992. http://dx.doi.org/10.1007/978-1-4471-1962-3_20.

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Ikhena, Deborah E., et Jared C. Robins. « IVF and Egg Donation : Special Considerations ». Dans Primary Ovarian Insufficiency, 125–36. Cham : Springer International Publishing, 2016. http://dx.doi.org/10.1007/978-3-319-22491-6_8.

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Bodri, Daniel. « Risk and Complications Associated with Egg Donation ». Dans Principles of Oocyte and Embryo Donation, 205–19. London : Springer London, 2013. http://dx.doi.org/10.1007/978-1-4471-2392-7_16.

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Actes de conférences sur le sujet "Egg donation"

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Opsenica Kostic, Jelena, Damjana Panic et Milica Mitrovic. « ATTITUDES OF STUDENTS TOWARDS GAMETE DONATION AND BASIC LIFE VALUES ». Dans International Psychological Applications Conference and Trends. inScience Press, 2021. http://dx.doi.org/10.36315/2021inpact048.

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"Gamete donation is a procedure that includes the “reproductive others” in the process of conception. There are numerous dilemmas related to donation while various European countries have different ways of solving them. In the Republic of Serbia, only voluntary gamete donation is allowed, and donors can only be women and men from the general population, or women included in the In vitro fertilization process. The donors remain anonymous to the child which was conceived with their help. Overcoming infertility in this way usually includes building public awareness, especially when it is not a common practice in that society, and work should be done on forming positive attitudes towards the donation. Experience from other countries indicates that sperm donation usually does not represent a problem, but there is greater demand for egg cells than the existing supply, which is an additional reason for studying attitudes and planning appropriate campaigns. In this study, the attitudes of university students (N = 503; 206 young men, 297 young women) towards gamete donation were analyzed, as were the differences in the extent of basic values about acceptance of the donation. We used several questions to determine the attitudes towards donations, including those specially designed for this research and the Schwartz Personal Values Questionnaire (Schwartz, 2002). University students are young people who represent not only potential donors but also the everyday environment of couples who require a donation. As highly educated individuals, they have the potential to be attitude holders. The results have shown generally positive attitudes of the students towards donation. The differences in certain basic values among the participants who support donation were obtained only for the sub-sample of young men: a more pronounced Openness to change and Self-transcendence. The authors present some specific ideas regarding the promotion of gamete donation in general – for example, we believe that in the supporting campaign for donation it would be more appropriate to use Self-transcendence than Openness to change."
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Arrivo, S. M., T. P. Dougherty, W. T. Grubbs et E. J. Heilweil. « New Advances in Measuring Hydrogen Bonding Dynamics ». Dans International Conference on Ultrafast Phenomena. Washington, D.C. : Optica Publishing Group, 1996. http://dx.doi.org/10.1364/up.1996.tha.3.

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We report the only known comprehensive study of conserved vibrational energy transfer during association and dissociation of biologically relevant hydrogen-bonded complexes in dilute (0.1 M acid) room temperature solution. Newly applied picosecond infrared techniques which vibrationally tag and probe interacting proton donating (-OH, -NH) and accepting (e.g., -C = O, ≡ON) constituents will be presented. From these measurements, details of steric interactions, equilibrium reaction rates and unexpected vibrational excitation transfer during hydrogen-bond formation are revealed for the first time.
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Andrade, Karine N. de, Amanda R. P. Costa, Rodolfo I. Teixeira, Micaeli L. da S. Moreira, José Walkimar M. Carneiro, Nanci C. L. Garden, Fernanda da C. S. Boechat, Maria Cecília B. V. de Souza, Pedro N. Batalha et Rodolfo G. Fiorot. « Photophysical characterization of 3-acyl-4-quinolones ». Dans VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202006.

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Résumé :
4-quinolones derivatives can present fluorescent properties, depending on their substituents and on the chemical environment (e.g., acidic medium), allowing their application as ion sensors. We theoretically evaluated the photophysical properties of previously synthesized 3-acyl-4-quinolones to verify how different substituents (R1=H, NH2 and R2 = OEt, OH, NHPh) affect their absorption profiles and the emission profile of a reference compound, PB3. All DFT and TD-DFT calculations were performed at B3LYP-D3/6-311++G(d,p) level and continuum polarization model for simulated acetonitrile as solvent. For PB2 (R1 = H, R2 = OEt), we observed hypsochromic shift compared to PB3 due to the increase of the gap between HOMO/LUMO (absence of electron-donating group), in accordance with experimental data. For R1=NH2 and R2=OH, NHPh (PB6 and PB10, respectively), the gap between HOMO/LUMO increases, resulting in a soft bathochromic shift for the simulated absorption spectra. In addition, we evaluated the effect of acid addition on the absorption and emission profile of PB3 and the results were compared with experimental data. Our thermodynamic results suggest that protonation occurs on the endocyclic carbonyl of the quinolone moiety, probably due to an increased aromatic character, as suggested by our NICS calculations. Finally, we associate the increase of the fluorescence in the acidic medium to the establishment of an intramolecular hydrogen bond and, thus, increased rigidity.
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