How Bohr's Copenhagen interpretation is realist and solves the measurement problem

The field of interpretation of quantum mechanics emerged in an attempt to solve the measurement problem. This turned on the perception that Niels Bohr avoided addressing the measurement problem by taking an instrumentalist view of quantum mechanics. I argue that this view is mistaken and Bohr's interpretation of quantum mechanics is realist. Moreover, Bohr's interpretation, which is different from textbook quantum mechanics (which is due more to Von Neumann and Paul Dirac), succeeds in solving the measurement problem. While the claim that Bohr dissolves the measurement problem within the limits of the epistemological framework he assumes has been made by a few authors, rarely has the case been made that Bohr's project unambiguously and completely overcomes the measurement problem. I make the strong case that Bohr eliminated the measurement problem altogether. For this, I put forward two new postulates through which to make sense of Bohr's interpretation. The article thus seeks to single out Bohr's interpretation from the various views that go together under the umbrella of orthodox quantum mechanics, and which have been traditionally considered susceptible to the measurement problem. It shows that Bohr's interpretation should be classified along with those like hidden variable theories, collapse models, modal interpretations etc., which offer a solution to the measurement problem and are committed to a realist ontology.Comment: 22 page

Mortality and pulmonary complications in patients undergoing surgery with perioperative SARS-CoV-2 infection: an international cohort study

Background: The impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on postoperative recovery needs to be understood to inform clinical decision making during and after the COVID-19 pandemic. This study reports 30-day mortality and pulmonary complication rates in patients with perioperative SARS-CoV-2 infection. Methods: This international, multicentre, cohort study at 235 hospitals in 24 countries included all patients undergoing surgery who had SARS-CoV-2 infection confirmed within 7 days before or 30 days after surgery. The primary outcome measure was 30-day postoperative mortality and was assessed in all enrolled patients. The main secondary outcome measure was pulmonary complications, defined as pneumonia, acute respiratory distress syndrome, or unexpected postoperative ventilation. Findings: This analysis includes 1128 patients who had surgery between Jan 1 and March 31, 2020, of whom 835 (74·0%) had emergency surgery and 280 (24·8%) had elective surgery. SARS-CoV-2 infection was confirmed preoperatively in 294 (26·1%) patients. 30-day mortality was 23·8% (268 of 1128). Pulmonary complications occurred in 577 (51·2%) of 1128 patients; 30-day mortality in these patients was 38·0% (219 of 577), accounting for 81·7% (219 of 268) of all deaths. In adjusted analyses, 30-day mortality was associated with male sex (odds ratio 1·75 [95% CI 1·28–2·40], p\textless0·0001), age 70 years or older versus younger than 70 years (2·30 [1·65–3·22], p\textless0·0001), American Society of Anesthesiologists grades 3–5 versus grades 1–2 (2·35 [1·57–3·53], p\textless0·0001), malignant versus benign or obstetric diagnosis (1·55 [1·01–2·39], p=0·046), emergency versus elective surgery (1·67 [1·06–2·63], p=0·026), and major versus minor surgery (1·52 [1·01–2·31], p=0·047). Interpretation: Postoperative pulmonary complications occur in half of patients with perioperative SARS-CoV-2 infection and are associated with high mortality. Thresholds for surgery during the COVID-19 pandemic should be higher than during normal practice, particularly in men aged 70 years and older. Consideration should be given for postponing non-urgent procedures and promoting non-operative treatment to delay or avoid the need for surgery. Funding: National Institute for Health Research (NIHR), Association of Coloproctology of Great Britain and Ireland, Bowel and Cancer Research, Bowel Disease Research Foundation, Association of Upper Gastrointestinal Surgeons, British Association of Surgical Oncology, British Gynaecological Cancer Society, European Society of Coloproctology, NIHR Academy, Sarcoma UK, Vascular Society for Great Britain and Ireland, and Yorkshire Cancer Research

First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid

We investigated the microscopic mechanism of ion transport in iodide ionic liquid, using first-principles calculations. We show that the desorption barrier of polyiodides (I-3(-) or I-3(-)) from the cation is in a similar energy range as or higher than the barrier for the bond dissociation and ensued desorption of neutral iodine (I-2). This suggests that, instead of the physical diffusion of such a negatively charged multiatomic species, the exchange of neutral iodine (I-2) between the polyiodides can be an easier channel for the movement of polyiodide. For the transport of the monoiodide anion (I-), we suggest the contribution of the Grotthuss-type ion exchange through the intermediately formed even-member anion (I-2n(-)), in addition to drift and diffusion. As a result, we suggest that, instead of the commonly cited diffusion of the triiodide/iodide (I-3(-)/I-) redox couple, the exchange of neutral iodine (I-2) and the Grotthuss-type transport (I-) constitute the dominant ion transport mechanism.close

NWChem: Past, present, and future.

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook

NWChem: Past, present, and future

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook

Cell-penetrating peptides in nanodelivery of nucleic acids and drugs

The hydrophobic nature of cell membranes is one of the major obstacles in the therapeutic delivery of nucleic acids and drug-loaded nanoparticles. Cell-penetrating peptides (CPPs) have the ability to pass biological membranes and enter cells. Due to this intrinsic property, CPPs are employed as vectors for intracellular delivery of nucleic acids and nanoparticles. In this chapter, we first briefly describe the classification and uptake mechanisms of CPPs. Then, we describe the recent therapeutic applications of CPP-modified nanoparticles as drug carriers. In this context, we give an overview of covalent and noncovalent conjugation of CPPs. The second part involves the use of CPPs in nonviral delivery of nucleic acids. Although viral vectors are highly efficient systems for introducing genes, the safety issues with viral systems need to be considered. Nanoparticle-based nonviral vectors provide an attractive alternative, but their gene transfection efficiency is very low. Therefore, novel design strategies are needed to enhance the efficiency. We summarize the use of CPPs in enhancing gene transfer efficiency of nonviral vectors. Besides the clinical potential of currently known CPPs, we also discuss the limitations and the need for designing novel CPPs. © 2018 Elsevier Inc. All rights reserved

NWChem: Past, present, and future

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook

NWChem

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.Peer reviewe