LIVIVO - Search results -

Search results

Result 1 - 10 of total 62

Search options

Article ; Online: Synthetic cartilage implant hemiarthroplasty versus cheilectomy for the treatment of hallux rigidus.

Hoskins, Tyler / Barr, Stephen / Begley, Brian / Fitzpatrick, Brendan / Senat, Schamma / Patel, Jay / Heiman, Erick / Mazzei, Christopher / Miller, Justin / Wittig, James / Epstein, David

European journal of orthopaedic surgery & traumatology : orthopedie traumatologie

2023 Volume 33, Issue 6, Page(s) 2567–2572

Abstract: Degenerative arthritis of the first metatarsophalangeal joint, hallux rigidus, is the most common type of arthritis of the foot, affecting nearly 2.5% of the population over the age of 50. Hallux rigidus can be treated surgically with either Cheilectomy ... ...

Abstract	Degenerative arthritis of the first metatarsophalangeal joint, hallux rigidus, is the most common type of arthritis of the foot, affecting nearly 2.5% of the population over the age of 50. Hallux rigidus can be treated surgically with either Cheilectomy or Synthetic cartilage implant (SCI) hemiarthroplasty. The purpose of this study is to compare outcomes from a single institution on the treatment of hallux rigidus using cheilectomy and SCI hemiarthroplasty. Between 2012 and 2020, 49 patients underwent either a SCI (Polyvinyl alcohol hydrogels) hemiarthroplasty or Cheilectomy for the treatment of hallux rigidus. Functional scores were assessed pre and postoperatively using the American Orthopedic Foot and Ankle scoring System (AOFAS) and the Foot and Ankle Outcome Score survey (FAOS). Plantar and Dorsal range of motion was also assessed pre and postoperatively. Outcomes, complications, and any reoperations were recorded for all patients. Mean pre-op AOFAS for Cheilectomy and SCI were 49.6 and 54.8, respectively, compared to 85.3 and 89.7, respectively, after surgery (p value < 0.05). Mean pre-op Dorsal range of motion (ROM) for Cheilectomy and SCI were 24.0 and 26.0 degrees, respectively, compared to 38.0 and 42.6 degrees, respectively, after surgery (p value < 0.05). SCI hemiarthroplasty patients had higher AOFAS and dorsal ROM at the latest follow up (p value < 0.05). Synthetic cartilage implant (SCI) hemiarthroplasty and cheilectomy both offer promising results and remain viable treatment options to decrease pain, improve function, and maintain motion for hallux rigidus. SCI hemiarthroplasty may offer superior range of motion and functional outcomes than cheilectomy for hallux rigidus. LEVEL OF CLINICAL EVIDENCE: 3.
MeSH term(s)	Humans ; Hallux Rigidus/diagnostic imaging ; Hallux Rigidus/surgery ; Hemiarthroplasty/adverse effects ; Follow-Up Studies ; Prostheses and Implants ; Cartilage/surgery ; Treatment Outcome ; Range of Motion, Articular
Language	English
Publishing date	2023-01-18
Publishing country	France
Document type	Journal Article
ZDB-ID	1231084-0
ISSN	1432-1068 ; 1633-8065 ; 0948-4817 ; 0940-3264
ISSN (online)	1432-1068
ISSN	1633-8065 ; 0948-4817 ; 0940-3264
DOI	10.1007/s00590-022-03469-8
Database	MEDical Literature Analysis and Retrieval System OnLINE

Full text online

Accessible to users with ZB MED library card

In stock of ZB MED Cologne/Königswinter

Zs.A 3479: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (2.OG)
ab Jg. 2022: Lesesaal (EG)

Order via subito

This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

Details ▾

Article ; Online: The Role of Striatal-Enriched Protein Tyrosine Phosphatase (STEP) in Cognition.

Fitzpatrick, Christopher James / Lombroso, Paul J

Frontiers in neuroanatomy

2011 Volume 5, Page(s) 47

Abstract: Striatal-enriched protein tyrosine phosphatase (STEP) has recently been implicated in several neuropsychiatric disorders with significant cognitive impairments, including Alzheimer's disease, schizophrenia, and fragile X syndrome. A model has emerged by ... ...

Abstract	Striatal-enriched protein tyrosine phosphatase (STEP) has recently been implicated in several neuropsychiatric disorders with significant cognitive impairments, including Alzheimer's disease, schizophrenia, and fragile X syndrome. A model has emerged by which STEP normally opposes the development of synaptic strengthening and that disruption in STEP activity leads to aberrant synaptic function. We review the mechanisms by which STEP contributes to the etiology of these and other neuropsychiatric disorders. These findings suggest that disruptions in STEP activity may be a common mechanism for cognitive impairments in diverse illnesses.
Language	English
Publishing date	2011-07-29
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2452969-2
ISSN	1662-5129 ; 1662-5129
ISSN (online)	1662-5129
ISSN	1662-5129
DOI	10.3389/fnana.2011.00047
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article ; Online: Research Evaluation Alongside Clinical Treatment in COVID-19 (REACT COVID-19): an observational and biobanking study.

Burke, Hannah / Freeman, Anna / Dushianthan, Ahilanandan / Celinski, Michael / Batchelor, James / Phan, Hang / Borca, Florina / Kipps, Christopher / Thomas, Gareth J / Faust, Saul N / Sheard, Natasha / Williams, Sarah / Fitzpatrick, Paul / Landers, Dónal / Wilkinson, Tom

BMJ open

2021 Volume 11, Issue 1, Page(s) e043012

Abstract: Introduction: The COVID-19 pandemic caused by SARS-CoV-2 places immense worldwide demand on healthcare services. Earlier identification of patients at risk of severe disease may allow intervention with experimental targeted treatments, mitigating the ... ...

Abstract	Introduction: The COVID-19 pandemic caused by SARS-CoV-2 places immense worldwide demand on healthcare services. Earlier identification of patients at risk of severe disease may allow intervention with experimental targeted treatments, mitigating the course of their disease and reducing critical care service demand. Methods and analysis: This prospective observational study of patients tested or treated for SARS-CoV-2, who are under the care of the tertiary University Hospital Southampton NHS Foundation Trust (UHSFT), captured data from admission to discharge; data collection commenced on 7 March 2020. Core demographic and clinical information, as well as results of disease-defining characteristics, was captured and recorded electronically from hospital clinical record systems at the point of testing. Manual data were collected and recorded by the clinical research team for assessments which are not part of the structured electronic healthcare record, for example, symptom onset date. Thereafter, participant records were continuously updated during hospital stay and their follow-up period. Participants aged >16 years were given the opportunity to provide consent for excess clinical sample storage with optional further biological sampling. These anonymised samples were linked to the clinical data in the Real-time Analytics for Clinical Trials platform and were stored within a biorepository at UHSFT. Ethics and dissemination: Ethical approval was obtained from the HRA Specific Review Board (REC 20/HRA/2986) for waiver of informed consent for the database-only cohort; the procedures conform with the Declaration of Helsinki. The study design, protocol and patient-facing documentation for the biobanking arm of the study have been approved by North West Research Ethics Committee (REC 17/NW/0632) as an amendment to the National Institute for Health Research Southampton Clinical Research Facility-managed Southampton Research Biorepository. This study will be published as peer-reviewed articles and presented at conferences, presentations and workshops.
MeSH term(s)	Artificial Intelligence ; Biological Specimen Banks ; COVID-19/epidemiology ; COVID-19/therapy ; Humans ; Pandemics ; Prospective Studies ; SARS-CoV-2 ; Translational Medical Research
Language	English
Publishing date	2021-01-22
Publishing country	England
Document type	Journal Article ; Observational Study
ZDB-ID	2599832-8
ISSN	2044-6055 ; 2044-6055
ISSN (online)	2044-6055
ISSN	2044-6055
DOI	10.1136/bmjopen-2020-043012
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article ; Online: Research Evaluation Alongside Clinical Treatment in COVID-19 (REACT COVID-19)

Gareth J Thomas / Saul N Faust / Christopher Kipps / Hang Phan / Florina Borca / Sarah Williams / Tom Wilkinson / Hannah Burke / Anna Freeman / Ahilanandan Dushianthan / Michael Celinski / James Batchelor / Natasha Sheard / Paul Fitzpatrick / Dónal Landers

BMJ Open, Vol 11, Iss

an observational and biobanking study

2021 Volume 1

Abstract: Introduction The COVID-19 pandemic caused by SARS-CoV-2 places immense worldwide demand on healthcare services. Earlier identification of patients at risk of severe disease may allow intervention with experimental targeted treatments, mitigating the ... ...

Abstract	Introduction The COVID-19 pandemic caused by SARS-CoV-2 places immense worldwide demand on healthcare services. Earlier identification of patients at risk of severe disease may allow intervention with experimental targeted treatments, mitigating the course of their disease and reducing critical care service demand.Methods and analysis This prospective observational study of patients tested or treated for SARS-CoV-2, who are under the care of the tertiary University Hospital Southampton NHS Foundation Trust (UHSFT), captured data from admission to discharge; data collection commenced on 7 March 2020. Core demographic and clinical information, as well as results of disease-defining characteristics, was captured and recorded electronically from hospital clinical record systems at the point of testing. Manual data were collected and recorded by the clinical research team for assessments which are not part of the structured electronic healthcare record, for example, symptom onset date. Thereafter, participant records were continuously updated during hospital stay and their follow-up period. Participants aged >16 years were given the opportunity to provide consent for excess clinical sample storage with optional further biological sampling. These anonymised samples were linked to the clinical data in the Real-time Analytics for Clinical Trials platform and were stored within a biorepository at UHSFT.Ethics and dissemination Ethical approval was obtained from the HRA Specific Review Board (REC 20/HRA/2986) for waiver of informed consent for the database-only cohort; the procedures conform with the Declaration of Helsinki. The study design, protocol and patient-facing documentation for the biobanking arm of the study have been approved by North West Research Ethics Committee (REC 17/NW/0632) as an amendment to the National Institute for Health Research Southampton Clinical Research Facility-managed Southampton Research Biorepository. This study will be published as peer-reviewed articles and presented at conferences, ...
Keywords	Medicine ; R
Subject code	170
Language	English
Publishing date	2021-01-01T00:00:00Z
Publisher	BMJ Publishing Group
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: Bottled water contaminant exposures and potential human effects.

Environment international

2022 Volume 171, Page(s) 107701

Abstract: Background: Bottled water (BW) consumption in the United States and globally has increased amidst heightened concern about environmental contaminant exposures and health risks in drinking water supplies, despite a paucity of directly comparable, ... ...

Abstract	Background: Bottled water (BW) consumption in the United States and globally has increased amidst heightened concern about environmental contaminant exposures and health risks in drinking water supplies, despite a paucity of directly comparable, environmentally-relevant contaminant exposure data for BW. This study provides insight into exposures and cumulative risks to human health from inorganic/organic/microbial contaminants in BW. Methods: BW from 30 total domestic US (23) and imported (7) sources, including purified tapwater (7) and spring water (23), were analyzed for 3 field parameters, 53 inorganics, 465 organics, 14 microbial metrics, and in vitro estrogen receptor (ER) bioactivity. Health-benchmark-weighted cumulative hazard indices and ratios of organic-contaminant in vitro exposure-activity cutoffs were assessed for detected regulated and unregulated inorganic and organic contaminants. Results: 48 inorganics and 45 organics were detected in sampled BW. No enforceable chemical quality standards were exceeded, but several inorganic and organic contaminants with maximum contaminant level goal(s) (MCLG) of zero (no known safe level of exposure to vulnerable sub-populations) were detected. Among these, arsenic, lead, and uranium were detected in 67 %, 17 %, and 57 % of BW, respectively, almost exclusively in spring-sourced samples not treated by advanced filtration. Organic MCLG exceedances included frequent detections of disinfection byproducts (DBP) in tapwater-sourced BW and sporadic detections of DBP and volatile organic chemicals in BW sourced from tapwater and springs. Precautionary health-based screening levels were exceeded frequently and attributed primarily to DBP in tapwater-sourced BW and co-occurring inorganic and organic contaminants in spring-sourced BW. Conclusion: The results indicate that simultaneous exposures to multiple drinking-water contaminants of potential human-health concern are common in BW. Improved understandings of human exposures based on more environmentally realistic and directly comparable point-of-use exposure characterizations, like this BW study, are essential to public health because drinking water is a biological necessity and, consequently, a high-vulnerability vector for human contaminant exposures.
MeSH term(s)	Humans ; United States ; Drinking Water ; Volatile Organic Compounds ; Water Supply ; Environmental Exposure/adverse effects ; Water Pollutants, Chemical/analysis
Chemical Substances	Drinking Water ; Volatile Organic Compounds ; Water Pollutants, Chemical
Language	English
Publishing date	2022-12-15
Publishing country	Netherlands
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	554791-x
ISSN	1873-6750 ; 0160-4120
ISSN (online)	1873-6750
ISSN	0160-4120
DOI	10.1016/j.envint.2022.107701
Database	MEDical Literature Analysis and Retrieval System OnLINE

In stock of ZB MED Cologne/Königswinter

Zs.A 3131: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (2.OG)
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾
- See ZB MED holdings
- Order with fees

Article ; Online: Targeted Therapy to β3 Integrin Reduces Chemoresistance in Breast Cancer Bone Metastases.

Molecular cancer therapeutics

2021 Volume 20, Issue 6, Page(s) 1183–1198

Abstract: Breast cancer bone metastases are common and incurable. Tumoral integrin β3 (β3) expression is induced through interaction with the bone microenvironment. Although β3 is known to promote bone colonization, its functional role during therapy of ... ...

Abstract	Breast cancer bone metastases are common and incurable. Tumoral integrin β3 (β3) expression is induced through interaction with the bone microenvironment. Although β3 is known to promote bone colonization, its functional role during therapy of established bone metastases is not known. We found increased numbers of β3
MeSH term(s)	Animals ; Antineoplastic Agents/pharmacology ; Bone Neoplasms/drug therapy ; Bone Neoplasms/metabolism ; Bone Neoplasms/secondary ; Breast Neoplasms/drug therapy ; Breast Neoplasms/metabolism ; Breast Neoplasms/pathology ; Cell Line, Tumor ; Docetaxel/pharmacology ; Drug Resistance, Neoplasm ; Female ; Humans ; Integrin beta3/metabolism ; Mice ; Mice, Inbred C57BL ; Molecular Targeted Therapy ; Survival Analysis
Chemical Substances	Antineoplastic Agents ; Integrin beta3 ; Docetaxel (15H5577CQD)
Language	English
Publishing date	2021-03-30
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2063563-1
ISSN	1538-8514 ; 1535-7163
ISSN (online)	1538-8514
ISSN	1535-7163
DOI	10.1158/1535-7163.MCT-20-0931
Database	MEDical Literature Analysis and Retrieval System OnLINE

Full text online

Accessible to users with ZB MED library card

In stock of ZB MED Cologne/Königswinter

Zs.A 5750: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (2.OG)
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾

Article ; Online: Bottled water contaminant exposures and potential human effects

Environment International. 2023 Jan., v. 171 p.107701-

2023

Abstract: Bottled water (BW) consumption in the United States and globally has increased amidst heightened concern about environmental contaminant exposures and health risks in drinking water supplies, despite a paucity of directly comparable, environmentally- ... ...

Abstract	Bottled water (BW) consumption in the United States and globally has increased amidst heightened concern about environmental contaminant exposures and health risks in drinking water supplies, despite a paucity of directly comparable, environmentally-relevant contaminant exposure data for BW. This study provides insight into exposures and cumulative risks to human health from inorganic/organic/microbial contaminants in BW. BW from 30 total domestic US (23) and imported (7) sources, including purified tapwater (7) and spring water (23), were analyzed for 3 field parameters, 53 inorganics, 465 organics, 14 microbial metrics, and in vitro estrogen receptor (ER) bioactivity. Health-benchmark-weighted cumulative hazard indices and ratios of organic-contaminant in vitro exposure-activity cutoffs were assessed for detected regulated and unregulated inorganic and organic contaminants. 48 inorganics and 45 organics were detected in sampled BW. No enforceable chemical quality standards were exceeded, but several inorganic and organic contaminants with maximum contaminant level goal(s) (MCLG) of zero (no known safe level of exposure to vulnerable sub-populations) were detected. Among these, arsenic, lead, and uranium were detected in 67 %, 17 %, and 57 % of BW, respectively, almost exclusively in spring-sourced samples not treated by advanced filtration. Organic MCLG exceedances included frequent detections of disinfection byproducts (DBP) in tapwater-sourced BW and sporadic detections of DBP and volatile organic chemicals in BW sourced from tapwater and springs. Precautionary health-based screening levels were exceeded frequently and attributed primarily to DBP in tapwater-sourced BW and co-occurring inorganic and organic contaminants in spring-sourced BW. The results indicate that simultaneous exposures to multiple drinking-water contaminants of potential human-health concern are common in BW. Improved understandings of human exposures based on more environmentally realistic and directly comparable point-of-use exposure characterizations, like this BW study, are essential to public health because drinking water is a biological necessity and, consequently, a high-vulnerability vector for human contaminant exposures.
Keywords	arsenic ; bioactive properties ; bottled water ; disinfection ; drinking water ; environment ; estrogen receptors ; filtration ; human health ; humans ; lead ; maximum contaminant level ; microbial contamination ; public health ; uranium ; volatile organic compounds ; Contaminant mixtures ; Organics ; Inorganics ; Microorganisms
Language	English
Dates of publication	2023-01
Publishing place	Elsevier Ltd
Document type	Article ; Online
ZDB-ID	554791-x
ISSN	1873-6750 ; 0160-4120
ISSN (online)	1873-6750
ISSN	0160-4120
DOI	10.1016/j.envint.2022.107701
Database	NAL-Catalogue (AGRICOLA)

In stock of ZB MED Cologne/Königswinter

Zs.A 3131: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (2.OG)
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾
- See ZB MED holdings
- Order with fees

Article ; Online: Multi-omics and pathway analyses of genome-wide associations implicate regulation and immunity in verbal declarative memory performance.

Mei, Hao / Simino, Jeannette / Li, Lianna / Jiang, Fan / Bis, Joshua C / Davies, Gail / Hill, W David / Xia, Charley / Gudnason, Vilmundur / Yang, Qiong / Lahti, Jari / Smith, Jennifer A / Kirin, Mirna / De Jager, Philip / Armstrong, Nicola J / Ghanbari, Mohsen / Kolcic, Ivana / Moran, Christopher / Teumer, Alexander /

Sargurupremraj, Murali / Mahmud, Shamsed / Fornage, Myriam / Zhao, Wei / Satizabal, Claudia L / Polasek, Ozren / Räikkönen, Katri / Liewald, David C / Homuth, Georg / Callisaya, Michele / Mather, Karen A / Windham, B Gwen / Zemunik, Tatijana / Palotie, Aarno / Pattie, Alison / van der Auwera, Sandra / Thalamuthu, Anbupalam / Knopman, David S / Rudan, Igor / Starr, John M / Wittfeld, Katharina / Kochan, Nicole A / Griswold, Michael E / Vitart, Veronique / Brodaty, Henry / Gottesman, Rebecca / Cox, Simon R / Psaty, Bruce M / Boerwinkle, Eric / Chasman, Daniel I / Grodstein, Francine / Sachdev, Perminder S / Srikanth, Velandai / Hayward, Caroline / Wilson, James F / Eriksson, Johan G / Kardia, Sharon L R / Grabe, Hans J / Bennett, David A / Ikram, M Arfan / Deary, Ian J / van Duijn, Cornelia M / Launer, Lenore / Fitzpatrick, Annette L / Seshadri, Sudha / Bressler, Jan / Debette, Stephanie / Mosley, Thomas H

Alzheimer's research & therapy

2024 Volume 16, Issue 1, Page(s) 14

Abstract: Background: Uncovering the functional relevance underlying verbal declarative memory (VDM) genome-wide association study (GWAS) results may facilitate the development of interventions to reduce age-related memory decline and dementia.: Methods: We ... ...

Abstract	Background: Uncovering the functional relevance underlying verbal declarative memory (VDM) genome-wide association study (GWAS) results may facilitate the development of interventions to reduce age-related memory decline and dementia. Methods: We performed multi-omics and pathway enrichment analyses of paragraph (PAR-dr) and word list (WL-dr) delayed recall GWAS from 29,076 older non-demented individuals of European descent. We assessed the relationship between single-variant associations and expression quantitative trait loci (eQTLs) in 44 tissues and methylation quantitative trait loci (meQTLs) in the hippocampus. We determined the relationship between gene associations and transcript levels in 53 tissues, annotation as immune genes, and regulation by transcription factors (TFs) and microRNAs. To identify significant pathways, gene set enrichment was tested in each cohort and meta-analyzed across cohorts. Analyses of differential expression in brain tissues were conducted for pathway component genes. Results: The single-variant associations of VDM showed significant linkage disequilibrium (LD) with eQTLs across all tissues and meQTLs within the hippocampus. Stronger WL-dr gene associations correlated with reduced expression in four brain tissues, including the hippocampus. More robust PAR-dr and/or WL-dr gene associations were intricately linked with immunity and were influenced by 31 TFs and 2 microRNAs. Six pathways, including type I diabetes, exhibited significant associations with both PAR-dr and WL-dr. These pathways included fifteen MHC genes intricately linked to VDM performance, showing diverse expression patterns based on cognitive status in brain tissues. Conclusions: VDM genetic associations influence expression regulation via eQTLs and meQTLs. The involvement of TFs, microRNAs, MHC genes, and immune-related pathways contributes to VDM performance in older individuals.
MeSH term(s)	Humans ; Aged ; Genome-Wide Association Study/methods ; Multiomics ; Memory ; Cognition ; MicroRNAs ; Polymorphism, Single Nucleotide/genetics
Chemical Substances	MicroRNAs
Language	English
Publishing date	2024-01-20
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural
ZDB-ID	2506521-X
ISSN	1758-9193 ; 1758-9193
ISSN (online)	1758-9193
ISSN	1758-9193
DOI	10.1186/s13195-023-01376-6
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article ; Online: Optical control of ultrafast structural dynamics in a fluorescent protein.

Hutchison, Christopher D M / Baxter, James M / Fitzpatrick, Ann / Dorlhiac, Gabriel / Fadini, Alisia / Perrett, Samuel / Maghlaoui, Karim / Lefèvre, Salomé Bodet / Cordon-Preciado, Violeta / Ferreira, Josie L / Chukhutsina, Volha U / Garratt, Douglas / Barnard, Jonathan / Galinis, Gediminas / Glencross, Flo / Morgan, Rhodri M / Stockton, Sian / Taylor, Ben / Yuan, Letong /

Romei, Matthew G / Lin, Chi-Yun / Marangos, Jon P / Schmidt, Marius / Chatrchyan, Viktoria / Buckup, Tiago / Morozov, Dmitry / Park, Jaehyun / Park, Sehan / Eom, Intae / Kim, Minseok / Jang, Dogeun / Choi, Hyeongi / Hyun, HyoJung / Park, Gisu / Nango, Eriko / Tanaka, Rie / Owada, Shigeki / Tono, Kensuke / DePonte, Daniel P / Carbajo, Sergio / Seaberg, Matt / Aquila, Andrew / Boutet, Sebastien / Barty, Anton / Iwata, So / Boxer, Steven G / Groenhof, Gerrit / van Thor, Jasper J

Nature chemistry

2023 Volume 15, Issue 11, Page(s) 1607–1615

Abstract: The photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from femtosecond optical excitation have contributions from vibrational and electronic processes and from reaction ...

Abstract	The photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from femtosecond optical excitation have contributions from vibrational and electronic processes and from reaction dynamics that involve the crossing through a conical intersection. The creation and progression of the ultrafast structural dynamics strongly depends on optical and molecular parameters. When using X-ray crystallography as a probe of ultrafast dynamics, the origin of the observed nuclear motions is not known. Now, high-resolution pump-probe X-ray crystallography reveals complex sub-ångström, ultrafast motions and hydrogen-bonding rearrangements in the active site of a fluorescent protein. However, we demonstrate that the measured motions are not part of the photoisomerization reaction but instead arise from impulsively driven coherent vibrational processes in the electronic ground state. A coherent-control experiment using a two-colour and two-pulse optical excitation strongly amplifies the X-ray crystallographic difference density, while it fully depletes the photoisomerization process. A coherent control mechanism was tested and confirmed the wave packets assignment.
MeSH term(s)	Motion ; Vibration ; Rhodopsin ; Hydrogen Bonding
Chemical Substances	Rhodopsin (9009-81-8)
Language	English
Publishing date	2023-08-10
Publishing country	England
Document type	Journal Article
ZDB-ID	2464596-5
ISSN	1755-4349 ; 1755-4330
ISSN (online)	1755-4349
ISSN	1755-4330
DOI	10.1038/s41557-023-01275-1
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Article ; Online: The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology.

Richard, Ann M / Huang, Ruili / Waidyanatha, Suramya / Shinn, Paul / Collins, Bradley J / Thillainadarajah, Inthirany / Grulke, Christopher M / Williams, Antony J / Lougee, Ryan R / Judson, Richard S / Houck, Keith A / Shobair, Mahmoud / Yang, Chihae / Rathman, James F / Yasgar, Adam / Fitzpatrick, Suzanne C / Simeonov, Anton / Thomas, Russell S / Crofton, Kevin M /

Paules, Richard S / Bucher, John R / Austin, Christopher P / Kavlock, Robert J / Tice, Raymond R

Chemical research in toxicology

2020 Volume 34, Issue 2, Page(s) 189–216

Abstract: Since 2009, the Tox21 project has screened ∼8500 chemicals in more than 70 high-throughput assays, generating upward of 100 million data points, with all data publicly available through partner websites at the United States Environmental Protection ... ...

Abstract	Since 2009, the Tox21 project has screened ∼8500 chemicals in more than 70 high-throughput assays, generating upward of 100 million data points, with all data publicly available through partner websites at the United States Environmental Protection Agency (EPA), National Center for Advancing Translational Sciences (NCATS), and National Toxicology Program (NTP). Underpinning this public effort is the largest compound library ever constructed specifically for improving understanding of the chemical basis of toxicity across research and regulatory domains. Each Tox21 federal partner brought specialized resources and capabilities to the partnership, including three approximately equal-sized compound libraries. All Tox21 data generated to date have resulted from a confluence of ideas, technologies, and expertise used to design, screen, and analyze the Tox21 10K library. The different programmatic objectives of the partners led to three distinct, overlapping compound libraries that, when combined, not only covered a diversity of chemical structures, use-categories, and properties but also incorporated many types of compound replicates. The history of development of the Tox21 "10K" chemical library and data workflows implemented to ensure quality chemical annotations and allow for various reproducibility assessments are described. Cheminformatics profiling demonstrates how the three partner libraries complement one another to expand the reach of each individual library, as reflected in coverage of regulatory lists, predicted toxicity end points, and physicochemical properties. ToxPrint chemotypes (CTs) and enrichment approaches further demonstrate how the combined partner libraries amplify structure-activity patterns that would otherwise not be detected. Finally, CT enrichments are used to probe global patterns of activity in combined ToxCast and Tox21 activity data sets relative to test-set size and chemical versus biological end point diversity, illustrating the power of CT approaches to discern patterns in chemical-activity data sets. These results support a central premise of the Tox21 program: A collaborative merging of programmatically distinct compound libraries would yield greater rewards than could be achieved separately.
MeSH term(s)	High-Throughput Screening Assays ; Humans ; Small Molecule Libraries/toxicity ; Toxicity Tests ; United States ; United States Environmental Protection Agency
Chemical Substances	Small Molecule Libraries
Language	English
Publishing date	2020-11-03
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S. ; Research Support, U.S. Gov't, P.H.S. ; Review
ZDB-ID	639353-6
ISSN	1520-5010 ; 0893-228X
ISSN (online)	1520-5010
ISSN	0893-228X
DOI	10.1021/acs.chemrestox.0c00264
Database	MEDical Literature Analysis and Retrieval System OnLINE

In stock of ZB MED Cologne/Königswinter

Zs.A 2320: Show issues

Location:
Je nach Verfügbarkeit (siehe Angabe bei Bestand)
bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
Jg. 1995 - 2021: Lesesall (2.OG)
ab Jg. 2022: Lesesaal (EG)

Order via subito

Details ▾
- See ZB MED holdings
- Order with fees

To top

Full text online

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

Order via subito

Full text online

More links

Kategorien

Inter-library loan at ZB MED

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

Full text online

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

Order via subito

More links

Kategorien

In stock of ZB MED Cologne/Königswinter

Order via subito