Results 51 to 60 of about 208,565 (258)

Fragment molecular orbital-based variational quantum eigensolver for quantum chemistry in the age of quantum computing

Scientific Reports
Quantum computers offer significant potential for complex system analysis, yet their application in large systems is hindered by limitations such as qubit availability and quantum hardware noise.
Hocheol Lim, Doo Hyung Kang, Jeonghoon Kim, Aidan Pellow-Jarman, Shane McFarthing, Rowan Pellow-Jarman, Hyeon-Nae Jeon, Byungdu Oh, June-Koo Kevin Rhee, Kyoung Tai No   +9 more
doaj   +1 more source

Time to Diagnosis Among Children and Adolescents With Cancer in Québec, Canada: A Population‐Based Study

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Timely cancer diagnosis in children and adolescents is important to improving outcomes. We aimed to quantify time to diagnosis and assess variations by patient, demographic and system‐level factors. Procedure We conducted a population‐based study of individuals aged 0–19 years diagnosed with one of 12 cancers from 2010 to 2022 in ...
Callum Mullen, Ronald D. Barr, Erin Strumpf, Mariam El‐Zein, Eduardo L. Franco, Talía Malagón   +5 more
wiley   +1 more source

Algorithm Design for Multicellular Molecular Communication Simulations

Engineering Proceedings
Computing interactions among cells is computationally complex in multicellular molecular communication simulations, making the design of efficient algorithms crucial. We review simulation algorithms for computing interactions among cells in multicellular
Shohei Imanaka, Tadashi Nakano
doaj   +1 more source

Serum Myonectin Levels Are Positively Associated With Physical Function and Lower Frailty‐Related Limitation in Maintenance Hemodialysis Patients: A Cross‐Sectional Study

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Background Maintenance hemodialysis (MHD) patients frequently suffer from frailty, characterized by reduced physical function and poor prognosis. Myokines, such as myonectin, secreted by muscle, are emerging regulators of systemic health. This study investigated the relationship between serum myonectin, adipokines (adiponectin, omentin), and ...
Kenichi Kono, Yoshifumi Moriyama, Koji Ohashi, Naoya Otaka, Minako Tatsumi, Toyoaki Murohara, Noriyuki Ouchi, Satoru Oshima   +7 more
wiley   +1 more source

Probe computing model based on small molecular switch

BMC Bioinformatics, 2019
Background DNA is a promising candidate for the construction of biological devices due to its unique properties, including structural simplicity, convenient synthesis, high flexibility, and predictable behavior.
Yanan Wang, Qi Lv, Yingying Zhang, Luhui Wang, Yafei Dong   +4 more
doaj   +1 more source

Comparative Evaluation of Hemodiafiltration, Hemoperfusion, and Standard Hemodialysis on Efficacy, Inflammatory Control, Dialysis Adequacy, and Safety in End‐Stage Renal Disease: A Prospective Observational Study

Therapeutic Apheresis and Dialysis, EarlyView.
ABSTRACT Background Chronic micro‐inflammation in patients with end‐stage renal disease (ESRD) is a significant driver of cardiovascular complications and diminished quality of life. While standard hemodialysis (SHD) effectively manages small‐molecule clearance, its ability to remove medium‐to‐large uremic toxins—the primary catalysts of systemic ...
Hongwei Zuo, Weisi Dai, Jie Mao, Mei Ye, Xingshan Lu, Xiaocui Zhang   +5 more
wiley   +1 more source

Enteropathogenic E. coli shows delayed attachment and host response in human jejunum organoid‐derived monolayers compared to HeLa cells

FEBS Letters, EarlyView.
Enteropathogenic E. coli (EPEC) infects the human intestinal epithelium, resulting in severe illness and diarrhoea. In this study, we compared the infection of cancer‐derived cell lines with human organoid‐derived models of the small intestine. We observed a delayed in attachment, inflammation and cell death on primary cells, indicating that host ...
Mastura Neyazi, Pilar Samperio Ventayol, Natalie Burkard, Nicolas Schlegel, Carmen Aguilar, Sina Bartfeld   +5 more
wiley   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Smart distributed data factory volunteer computing platform for active learning-driven molecular data acquisition

Scientific Reports
This paper presents the smart distributed data factory (SDDF), an AI-driven distributed computing platform designed to address challenges in drug discovery by creating comprehensive datasets of molecular conformations and their properties.
Tsolak Ghukasyan, Vahagn Altunyan, Aram Bughdaryan, Tigran Aghajanyan, Khachik Smbatyan, Garegin A. Papoian, Garik Petrosyan   +6 more
doaj   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source