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Article ; Online: Corrigendum to "Real-world clinical outcomes with enasidenib in relapsed or refractory acute myeloid leukemia" [Leuk. Res. (2022) 106946].

Klink, Andrew J / Gajra, Ajeet / Knoth, Russell L / Marshall, Landon / Hou, Ying / McBride, Ali / Copher, Ronda

2024 Volume 136, Page(s) 107430

Language	English
Publishing date	2024-01-09
Publishing country	England
Document type	Published Erratum
ZDB-ID	752396-8
ISSN	1873-5835 ; 0145-2126
ISSN (online)	1873-5835
ISSN	0145-2126
DOI	10.1016/j.leukres.2023.107430
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Article ; Online: Resveratrol and its metabolites elicit neuroprotection via high-affinity binding to the laminin receptor at low nanomolar concentrations.

Gopalakrishna, Rayudu / Aguilar, Jennifer / Oh, Andrew / Lee, Emily / Hou, Lucas / Lee, Tammy / Xu, Eric / Nguyen, James / Mack, William J

FEBS letters

2024

Abstract: Resveratrol prevents various neurodegenerative diseases in animal models despite reaching only low nanomolar concentrations in the brain after oral administration. In this study, based on the quenching of intrinsic tryptophan fluorescence and molecular ... ...

Abstract	Resveratrol prevents various neurodegenerative diseases in animal models despite reaching only low nanomolar concentrations in the brain after oral administration. In this study, based on the quenching of intrinsic tryptophan fluorescence and molecular docking, we found that trans-resveratrol, its conjugates (glucuronide and sulfate), and dihydro-resveratrol (intestinal microbial metabolite) bind with high affinities (K
Language	English
Publishing date	2024-02-27
Publishing country	England
Document type	Journal Article
ZDB-ID	212746-5
ISSN	1873-3468 ; 0014-5793
ISSN (online)	1873-3468
ISSN	0014-5793
DOI	10.1002/1873-3468.14835
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Article ; Online: Capturing the electron-electron cusp with the coupling-constant averaged exchange-correlation hole: A case study for Hooke's atoms.

Hou, Lin / Irons, Tom J P / Wang, Yanyong / Furness, James W / Wibowo-Teale, Andrew M / Sun, Jianwei

The Journal of chemical physics

2024 Volume 160, Issue 1

Abstract: In density-functional theory, the exchange-correlation (XC) energy can be defined exactly through the coupling-constant (λ) averaged XC hole n̄xc(r,r'), representing the probability depletion of finding an electron at r' due to an electron at r. Accurate ...

Abstract	In density-functional theory, the exchange-correlation (XC) energy can be defined exactly through the coupling-constant (λ) averaged XC hole n̄xc(r,r'), representing the probability depletion of finding an electron at r' due to an electron at r. Accurate knowledge of n̄xc(r,r') has been crucial for developing XC energy density-functional approximations and understanding their performance for molecules and materials. However, there are very few systems for which accurate XC holes have been calculated since this requires evaluating the one- and two-particle reduced density matrices for a reference wave function over a range of λ while the electron density remains fixed at the physical (λ = 1) density. Although the coupled-cluster singles and doubles (CCSD) method can yield exact results for a two-electron system in the complete basis set limit, it cannot capture the electron-electron cusp using finite basis sets. Focusing on Hooke's atom as a two-electron model system for which certain analytic solutions are known, we examine the effect of this cusp error on the XC hole calculated using CCSD. The Lieb functional is calculated at a range of coupling constants to determine the λ-integrated XC hole. Our results indicate that, for Hooke's atoms, the error introduced by the description of the electron-electron cusp using Gaussian basis sets at the CCSD level is negligible compared to the basis set incompleteness error. The system-, angle-, and coupling-constant-averaged XC holes are also calculated and provide a benchmark against which the Perdew-Burke-Ernzerhof and local density approximation XC hole models are assessed.
Language	English
Publishing date	2024-01-05
Publishing country	United States
Document type	Journal Article
ZDB-ID	3113-6
ISSN	1089-7690 ; 0021-9606
ISSN (online)	1089-7690
ISSN	0021-9606
DOI	10.1063/5.0173370
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Article ; Online: Flavonoid quercetin and its glucuronide and sulfate conjugates bind to 67-kDa laminin receptor and prevent neuronal cell death induced by serum starvation.

Gopalakrishna, Rayudu / Oh, Andrew / Hou, Lucas / Lee, Emily / Aguilar, Jennifer / Li, Andrew / Mack, William J

Biochemical and biophysical research communications

2023 Volume 671, Page(s) 116–123

Abstract: Quercetin, a dietary flavonoid, has been shown to protect against various neurodegenerative diseases with mechanisms largely unknown. After oral administration, quercetin is rapidly conjugated, and the aglycone is not detectable in the plasma and brain. ... ...

Abstract	Quercetin, a dietary flavonoid, has been shown to protect against various neurodegenerative diseases with mechanisms largely unknown. After oral administration, quercetin is rapidly conjugated, and the aglycone is not detectable in the plasma and brain. However, its glucuronide and sulfate conjugates are present only at low nanomolar concentrations in the brain. Since quercetin and its conjugates have limited antioxidant capability at low nanomolar concentrations, it is crucial to determine whether they induce neuroprotection by binding to high-affinity receptors. Previously we found that (-)-epigallocatechin-3-gallate (EGCG), a polyphenol from green tea, induces neuroprotection by binding to the 67-kDa laminin receptor (67LR). Therefore, in this study, we determined whether quercetin and its conjugates bind 67LR to induce neuroprotection and compared their ability with EGCG. Based on the quenching of intrinsic tryptophan fluorescence of peptide G (residues 161-180 in 67LR), we found quercetin, quercetin-3-O-glucuronide, and quercetin-3-O-sulfate bind to this peptide with a high affinity comparable to EGCG. Molecular docking using the crystal structure of 37-kDa laminin receptor precursor supported the high-affinity binding of all these ligands to the site corresponding to peptide G. A pretreatment with quercetin (1-1000 nM) did not effectively protect Neuroscreen-1 cells from death induced by serum starvation. Contrarily, a pretreatment with low concentrations (1-10 nM) of quercetin conjugates better protected these cells than quercetin and EGCG. The 67LR-blocking antibody substantially prevented neuroprotection by all these agents, suggesting the role of 67LR in this process. Collectively, these studies reveal that quercetin induces neuroprotection primarily through its conjugates via high affinity binding to 67LR.
MeSH term(s)	Flavonoids/pharmacology ; Quercetin/pharmacology ; Glucuronides/pharmacology ; Sulfates ; Molecular Docking Simulation ; Polyphenols/pharmacology ; Receptors, Laminin/metabolism ; Catechin/pharmacology ; Cell Adhesion Molecules ; Cell Death
Chemical Substances	Flavonoids ; Quercetin (9IKM0I5T1E) ; Glucuronides ; Sulfates ; Polyphenols ; Receptors, Laminin ; Catechin (8R1V1STN48) ; Cell Adhesion Molecules
Language	English
Publishing date	2023-06-03
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural
ZDB-ID	205723-2
ISSN	1090-2104 ; 0006-291X ; 0006-291X
ISSN (online)	1090-2104 ; 0006-291X
ISSN	0006-291X
DOI	10.1016/j.bbrc.2023.06.007
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Article ; Online: Bayesian design of broadband multilayered microperforated panel absorbers.

Xiang, Ning / Fackler, Cameron J / Hou, Yiqiao / Schmitt, Andrew A J

The Journal of the Acoustical Society of America

2022 Volume 151, Issue 5, Page(s) 3094

Abstract: In some noise control and architectural acoustics applications, nonfibrous, hygienic materials are desirable or even strictly required. In meeting such restrictive requirements, microperforated panel (MPP) sound absorbers represent a potential solution. ... ...

Abstract	In some noise control and architectural acoustics applications, nonfibrous, hygienic materials are desirable or even strictly required. In meeting such restrictive requirements, microperforated panel (MPP) sound absorbers represent a potential solution. Yet, they typically possess limited absorption bandwidth. Combining multiple MPPs into a multilayer system may broaden the absorption frequency ranges while maintaining high absorption. When increasing the overall absorption bandwidth, each additional MPP layer also increases the complexity of the design process because the design parameters are correspondingly increased by four per each additional layer. This paper applies a Bayesian inferential framework to the design of multilayer MPP absorbers with a parsimonious structural configuration, which penalizes the overlayered configurations. This Bayesian framework demonstrates that the practical design of multilayer MPP absorbers may be accomplished with two levels of model-based inference: model selection and parameter estimation. The design process proceeds inversely from a design target to design parameters, including the required number of MPP layers and their corresponding MPP parameters. This paper discusses the Bayesian design formulation, unified implementation of two levels of Bayesian inference, and experimental validation of a Bayesian design for a multilayered MPP absorber, which is able to meet the design target arising from practice.
Language	English
Publishing date	2022-05-21
Publishing country	United States
Document type	Journal Article
ZDB-ID	219231-7
ISSN	1520-8524 ; 0001-4966
ISSN (online)	1520-8524
ISSN	0001-4966
DOI	10.1121/10.0007224
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Article ; Online: Navigating CAR-T cells through the solid-tumour microenvironment.

Hou, Andrew J / Chen, Laurence C / Chen, Yvonne Y

Nature reviews. Drug discovery

2021 Volume 20, Issue 7, Page(s) 531–550

Abstract: The adoptive transfer of T cells that are engineered to express chimeric antigen receptors (CARs) has shown remarkable success in treating B cell malignancies but only limited efficacy against other cancer types, especially solid tumours. Compared with ... ...

Abstract	The adoptive transfer of T cells that are engineered to express chimeric antigen receptors (CARs) has shown remarkable success in treating B cell malignancies but only limited efficacy against other cancer types, especially solid tumours. Compared with haematological diseases, solid tumours present a unique set of challenges, including a lack of robustly expressed, tumour-exclusive antigen targets as well as highly immunosuppressive and metabolically challenging tumour microenvironments that limit treatment safety and efficacy. Here, we review protein- and cell-engineering strategies that seek to overcome these obstacles and produce next-generation T cells with enhanced tumour specificity and sustained effector function for the treatment of solid malignancies.
MeSH term(s)	Animals ; Humans ; Immunotherapy, Adoptive ; Protein Engineering ; Receptors, Antigen, T-Cell/genetics ; Receptors, Antigen, T-Cell/immunology ; Receptors, Chimeric Antigen/genetics ; Receptors, Chimeric Antigen/immunology ; T-Lymphocytes/immunology ; Tumor Microenvironment/immunology
Chemical Substances	Receptors, Antigen, T-Cell ; Receptors, Chimeric Antigen
Language	English
Publishing date	2021-05-10
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	2062954-0
ISSN	1474-1784 ; 1474-1776
ISSN (online)	1474-1784
ISSN	1474-1776
DOI	10.1038/s41573-021-00189-2
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Zs.A 5564: 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)
Zs.MO 334: Show issues
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Article ; Online: Distance-weighted Sinkhorn loss for Alzheimer's disease classification.

Wang, Zexuan / Zhan, Qipeng / Tong, Boning / Yang, Shu / Hou, Bojian / Huang, Heng / Saykin, Andrew J / Thompson, Paul M / Davatzikos, Christos / Shen, Li

iScience

2024 Volume 27, Issue 3, Page(s) 109212

Abstract: Traditional loss functions such as cross-entropy loss often quantify the penalty for each mis-classified training sample without adequately considering its distance from the ground truth class distribution in the feature space. Intuitively, the larger ... ...

Abstract	Traditional loss functions such as cross-entropy loss often quantify the penalty for each mis-classified training sample without adequately considering its distance from the ground truth class distribution in the feature space. Intuitively, the larger this distance is, the higher the penalty should be. With this observation, we propose a penalty called distance-weighted Sinkhorn (DWS) loss. For each mis-classified training sample (with predicted label
Language	English
Publishing date	2024-02-12
Publishing country	United States
Document type	Journal Article
ISSN	2589-0042
ISSN (online)	2589-0042
DOI	10.1016/j.isci.2024.109212
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Flavonoid quercetin and its glucuronide and sulfate conjugates bind to 67-kDa laminin receptor and prevent neuronal cell death induced by serum starvation

Gopalakrishna, Rayudu / Oh, Andrew / Hou, Lucas / Lee, Emily / Aguilar, Jennifer / Li, Andrew / Mack, William J.

Biochemical and Biophysical Research Communications. 2023 Sept., v. 671 p.116-123

2023

Abstract	Quercetin, a dietary flavonoid, has been shown to protect against various neurodegenerative diseases with mechanisms largely unknown. After oral administration, quercetin is rapidly conjugated, and the aglycone is not detectable in the plasma and brain. However, its glucuronide and sulfate conjugates are present only at low nanomolar concentrations in the brain. Since quercetin and its conjugates have limited antioxidant capability at low nanomolar concentrations, it is crucial to determine whether they induce neuroprotection by binding to high-affinity receptors. Previously we found that (−)-epigallocatechin-3-gallate (EGCG), a polyphenol from green tea, induces neuroprotection by binding to the 67-kDa laminin receptor (67LR). Therefore, in this study, we determined whether quercetin and its conjugates bind 67LR to induce neuroprotection and compared their ability with EGCG. Based on the quenching of intrinsic tryptophan fluorescence of peptide G (residues 161–180 in 67LR), we found quercetin, quercetin-3-O-glucuronide, and quercetin-3-O-sulfate bind to this peptide with a high affinity comparable to EGCG. Molecular docking using the crystal structure of 37-kDa laminin receptor precursor supported the high-affinity binding of all these ligands to the site corresponding to peptide G. A pretreatment with quercetin (1–1000 nM) did not effectively protect Neuroscreen-1 cells from death induced by serum starvation. Contrarily, a pretreatment with low concentrations (1–10 nM) of quercetin conjugates better protected these cells than quercetin and EGCG. The 67LR-blocking antibody substantially prevented neuroprotection by all these agents, suggesting the role of 67LR in this process. Collectively, these studies reveal that quercetin induces neuroprotection primarily through its conjugates via high affinity binding to 67LR.
Keywords	antibodies ; antioxidant activity ; blood serum ; brain ; cell death ; crystal structure ; death ; epigallocatechin gallate ; fluorescence ; green tea ; laminin ; ligands ; neurons ; neuroprotective effect ; oral administration ; peptides ; polyphenols ; quercetin ; research ; starvation ; sulfates ; tryptophan ; Quercetin-3-O-glucuronide ; Epigallocatechin-3-gallate ; 67-kDa laminin receptor ; Neuroprotection ; Quercetin-3-O-sulfate ; 67LR ; 37LRP ; Q-3-G ; Q-3-S ; EGCG ; NS-1 ; ROS ; CREB
Language	English
Dates of publication	2023-09
Size	p. 116-123.
Publishing place	Elsevier Inc.
Document type	Article ; Online
ZDB-ID	205723-2
ISSN	0006-291X ; 0006-291X
ISSN (online)	0006-291X
ISSN	0006-291X
DOI	10.1016/j.bbrc.2023.06.007
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Getting better mileage with logically primed CARs.

Chen, Laurence C / Hou, Andrew J / Chen, Yvonne Y

Med (New York, N.Y.)

2020 Volume 2, Issue 7, Page(s) 785–787

Abstract: Although remarkably successful against liquid tumors, chimeric antigen receptor (CAR)-T cell therapy has been stymied by solid tumors, limited by inadequate specificity and poor efficacy. Pairing synthetic Notch (synNotch) receptors with CARs, Choe et al. ...

Abstract	Although remarkably successful against liquid tumors, chimeric antigen receptor (CAR)-T cell therapy has been stymied by solid tumors, limited by inadequate specificity and poor efficacy. Pairing synthetic Notch (synNotch) receptors with CARs, Choe et al. and Hyrenius-Wittsten et al. engineer T cells that more precisely and potently combat solid tumors.
MeSH term(s)	Humans ; Immunotherapy, Adoptive ; Neoplasms/therapy ; Receptors, Chimeric Antigen ; T-Lymphocytes
Chemical Substances	Receptors, Chimeric Antigen
Language	English
Publishing date	2020-12-03
Publishing country	United States
Document type	Journal Article ; Research Support, U.S. Gov't, Non-P.H.S. ; Research Support, Non-U.S. Gov't ; Comment
ISSN	2666-6340
ISSN (online)	2666-6340
DOI	10.1016/j.medj.2021.06.002
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Roles of varying carbon chains and functional groups of legacy and emerging per-/polyfluoroalkyl substances in adsorption on metal-organic framework: Insights into mechanism and adsorption prediction.

Guo, Hao / Hu, Tongyu / Yang, Xiaoman / Liu, Zhaoyang / Cui, Qianqian / Qu, Chenchen / Guo, Fayang / Liu, Shun / Sweetman, Andrew J / Hou, Jingtao / Tan, Wenfeng

Environmental research

2024 Volume 251, Issue Pt 2, Page(s) 118679

Abstract: Metal-organic frameworks (MOFs) are promising adsorbents for legacy per-/polyfluoroalkyl substances (PFASs), but they are being replaced by emerging PFASs. The effects of varying carbon chains and functional groups of emerging PFASs on their adsorption ... ...

Abstract	Metal-organic frameworks (MOFs) are promising adsorbents for legacy per-/polyfluoroalkyl substances (PFASs), but they are being replaced by emerging PFASs. The effects of varying carbon chains and functional groups of emerging PFASs on their adsorption behavior on MOFs require attention. This study systematically revealed the structure-adsorption relationships and interaction mechanisms of legacy and emerging PFASs on a typical MOF MIL-101(Cr). It also presented an approach reflecting the average electronegativity of PFAS moieties for adsorption prediction. We demonstrated that short-chain or sulfonate PFASs showed higher adsorption capacities (μmol/g) on MIL-101(Cr) than their long-chain or carboxylate counterparts, respectively. Compared with linear PFASs, their branched isomers were found to exhibit a higher adsorption potential on MIL-101(Cr). In addition, the introduction of ether bond into PFAS molecule (e.g., hexafluoropropylene oxide dimeric acid, GenX) increased the adsorption capacity, while the replacement of CF
Language	English
Publishing date	2024-03-20
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	205699-9
ISSN	1096-0953 ; 0013-9351
ISSN (online)	1096-0953
ISSN	0013-9351
DOI	10.1016/j.envres.2024.118679
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